#DEFINITION	Reference Metabolome for Euonymus alatus
#IDENTTFIER	RefMeta-Euonymus alatus.R1
#FORMAT	msr
#VERSION	1.0/R1
#KEYWORDS	RefMeta
#ORGANISM	Euonymus alatus
#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 Euonymus alatus 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	584.4231
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53762	5.9
53.03952	7.2
55.05510	14.0
57.07092	42.0
60.04508	7.9
63.34198	5.0
67.05523	27.2
69.03452	6.7
69.07041	15.9
69.51250	35.4
70.06579	7.5
71.08624	13.7
79.05489	23.0
80.71180	4.4
81.07069	35.6
83.04977	5.6
83.08597	7.6
83.50326	4.7
87.04463	6.3
89.06052	44.0
91.05484	40.3
93.07059	53.3
95.04953	9.2
95.08619	42.2
97.06535	4.7
105.07050	69.4
107.08616	53.0
109.06506	14.9
109.10156	20.5
111.04353	4.6
111.08141	4.6
117.07014	26.4
119.08594	87.0
121.06496	7.1
121.10155	36.1
123.08073	18.4
128.06239	9.2
129.07001	15.8
130.07753	9.3
131.08580	50.6
133.08591	22.6
133.10156	44.0
135.08037	16.8
135.11697	16.0
137.05946	5.0
137.09595	9.6
141.07025	8.9
142.07779	17.3
143.08586	41.6
144.09363	8.3
145.10147	75.2
147.08051	21.4
147.11681	19.3
149.09644	7.9
151.07549	9.5
155.08571	10.7
156.09343	20.7
157.10167	53.8
158.10892	15.3
159.08083	6.8
159.11726	30.7
161.09610	10.2
161.13263	9.3
163.11229	7.3
163.14664	6.1
165.09132	29.3
167.08606	8.5
169.10149	23.5
170.10910	6.7
171.11723	34.8
172.12445	5.9
173.09648	5.6
173.13280	15.0
175.11215	15.1
175.14856	9.4
177.11238	12.9
177.12723	6.2
179.08536	11.7
181.10141	11.9
181.12239	14.2
182.10927	6.4
183.11754	23.9
185.13289	19.8
187.11217	7.4
187.14839	11.5
189.12726	9.5
189.83029	4.8
193.10178	9.2
194.11031	5.7
195.11719	18.4
197.09564	5.6
197.13264	22.0
199.11134	6.0
199.14816	4.8
203.14293	15.9
207.11707	13.8
208.12521	6.0
208.14545	7.5
209.13255	22.1
210.14203	6.6
211.14861	10.8
213.12772	5.3
219.11665	7.9
221.13387	10.1
221.15337	48.6
223.14758	14.7
234.16078	12.1
235.14799	7.5
237.16417	6.3
247.17027	7.2
251.18059	5.7
253.19522	5.8
259.17081	7.6
263.18106	5.1
296.21060	6.4
299.20184	7.6
300.29156	10.0
311.29474	21.5
325.21613	13.4
337.21503	11.0
352.23981	77.1
365.24939	14.5
371.22592	9.0
398.28534	6.8
412.29831	9.3
425.30365	7.1
489.33588	7.3
491.35095	17.6
504.36020	100.0
566.48010	29.0
584.41870	28.0
584.56122	69.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.4229
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.4
55.05512	10.0
57.07078	14.3
59.05000	4.7
65.03938	2.1
67.05515	17.8
69.03428	6.1
69.07079	11.8
70.06594	2.7
71.00302	2.4
71.00626	2.8
71.08632	3.5
73.64796	1.4
77.03905	2.0
79.05508	16.3
80.06273	1.7
81.07069	23.7
83.04987	5.0
83.08628	6.3
85.06541	6.1
87.04446	1.5
88.07636	1.5
89.06029	12.9
91.05489	33.7
92.09264	1.5
93.07045	40.0
95.04449	1.4
95.04955	9.2
95.08617	23.5
97.06538	3.6
103.05495	2.4
105.07041	62.9
107.08601	33.5
108.09473	2.5
109.06525	8.4
109.10148	15.3
111.08109	2.6
115.05428	4.2
117.07034	18.1
119.08585	72.2
120.09398	6.1
121.06531	3.9
121.10154	24.3
122.07326	1.7
123.08083	10.1
123.11712	2.6
125.06024	3.2
125.09624	3.0
128.06223	6.1
129.06996	14.6
130.07793	4.9
131.08575	37.7
132.09430	2.1
133.06514	3.3
133.08627	7.4
133.10147	33.8
135.08055	14.3
135.11711	11.3
136.06306	1.6
137.05995	2.4
137.09633	7.6
139.07553	2.8
141.07005	5.1
142.07777	15.6
143.08571	33.0
144.09364	11.0
145.06549	1.8
145.10138	51.1
146.10880	2.0
147.08064	16.6
147.11693	15.9
149.09636	7.2
149.13306	2.5
151.07579	9.2
153.07050	3.3
155.08586	15.2
156.09361	16.7
157.10138	52.7
157.11453	2.6
158.10950	9.7
159.08075	4.6
159.11693	30.6
160.12387	2.1
161.09639	8.8
161.13258	8.8
163.11180	8.1
165.07027	4.5
165.09114	23.1
166.07784	2.1
167.08600	6.6
168.09340	7.0
169.10124	20.0
170.10960	9.5
171.11681	30.2
172.12442	7.0
173.09682	5.4
173.13278	22.0
175.11194	13.6
175.14806	8.6
177.11281	2.9
177.12679	3.8
179.08569	4.6
180.09364	2.7
181.10126	12.5
181.12260	6.4
182.10844	3.4
183.11737	21.3
184.12489	3.8
185.09618	2.4
185.13246	17.0
186.13982	2.5
187.11205	4.1
187.14786	7.5
189.12746	7.2
190.13568	6.0
191.10780	2.8
191.14383	3.2
192.09428	2.5
193.10173	9.4
193.12260	5.8
194.10944	5.2
195.11755	17.6
196.12497	7.5
197.09720	2.3
197.13290	17.8
198.10538	2.8
198.14082	2.2
199.11244	5.8
199.14803	7.5
201.12753	6.5
201.16393	4.3
203.14342	17.1
206.10916	2.6
207.11746	8.5
207.13849	10.1
208.12485	6.0
208.14412	2.7
209.09863	1.7
209.13298	17.0
209.15205	3.1
210.13976	3.7
211.11203	3.5
211.14876	9.1
213.12871	3.4
213.16423	3.4
215.14375	2.1
216.15231	1.9
217.15865	3.7
218.75679	2.0
219.11847	3.6
219.13889	5.4
220.12579	3.1
221.13281	8.9
221.15352	50.1
221.17615	2.4
222.13939	3.4
222.15877	2.4
223.14812	9.3
224.15562	1.9
225.12759	4.2
225.16411	5.6
227.14452	3.5
231.11752	2.4
233.13216	3.7
234.14159	2.1
234.16133	9.9
235.14850	8.6
237.12750	4.4
237.16429	4.1
239.14389	2.6
239.18022	4.5
241.15979	1.9
241.19609	1.9
245.13275	2.1
246.14029	2.0
247.14868	3.3
247.17027	9.8
249.16484	3.5
251.14316	2.6
251.18054	4.9
253.15907	2.9
256.26279	2.1
259.17023	2.1
261.16312	3.8
263.18011	4.4
265.15958	3.2
265.19348	2.7
271.17047	3.0
271.20511	3.1
279.17450	2.2
281.18921	2.8
283.20541	1.9
283.26251	2.8
286.19479	4.3
287.20441	2.2
289.19525	2.7
296.21265	3.2
297.18689	3.3
299.20117	11.5
300.20615	3.4
300.29010	3.0
309.18539	2.2
311.19867	2.8
311.29465	7.1
312.20877	2.8
312.24258	2.0
319.20474	2.1
325.21716	7.4
337.21561	11.4
347.23636	1.8
352.24014	66.7
365.24780	14.7
371.22906	3.5
376.27933	3.6
383.25900	2.1
391.26154	2.4
397.27817	3.3
398.28040	6.7
404.30820	7.5
409.27383	1.9
411.29092	3.7
412.29688	18.4
425.30579	3.7
438.31400	13.4
477.33255	2.2
489.33609	9.2
490.34244	2.7
491.35315	11.1
492.35852	3.6
504.36020	100.0
566.40735	2.7
569.39520	2.7
584.42224	25.2
584.56024	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	584.423
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	3.4
53.52757	1.6
55.05512	10.3
57.07081	18.7
58.83068	1.7
59.04995	3.1
65.03950	2.8
67.05506	17.3
69.03435	4.8
69.07087	13.3
71.25191	2.8
73.26067	1.7
74.09750	1.9
79.05501	26.6
81.07070	38.0
83.04979	5.0
83.08612	5.2
85.06537	5.4
85.10172	2.3
89.06049	14.0
91.05000	1.2
91.05492	36.3
93.07056	49.4
95.04973	7.5
95.08056	3.2
95.08618	32.8
97.06541	5.4
97.10204	1.7
98.20754	1.8
103.05434	3.4
105.04552	2.0
105.07043	70.9
106.07858	3.3
107.08611	42.2
109.06497	12.0
109.10163	15.0
111.08092	2.6
115.05397	3.9
116.06222	3.2
117.07031	19.9
119.04895	2.9
119.08598	91.5
120.09369	6.4
121.06522	5.5
121.10155	24.2
123.08089	15.9
123.11717	4.9
125.06010	5.2
125.09640	2.8
128.06223	7.9
129.07011	18.9
129.51094	1.8
130.07785	7.6
131.08582	43.1
132.09372	5.1
133.06517	4.6
133.08607	6.3
133.10149	41.5
135.08069	15.3
135.11705	14.7
137.06033	1.7
137.09657	11.3
141.07007	6.6
142.07794	20.0
143.08585	38.8
144.09396	11.2
145.10136	61.8
146.07304	2.3
146.10782	3.4
147.08063	19.5
147.11708	19.3
149.09674	10.7
151.07590	8.4
153.06985	5.2
153.09132	1.6
154.07733	3.3
155.08607	14.8
156.09352	18.8
157.10144	61.5
158.10912	12.7
159.08096	6.2
159.11716	42.2
160.93523	1.8
161.09648	10.9
161.13258	10.4
163.11189	11.3
165.07109	3.7
165.07660	1.9
165.09120	31.3
166.07823	3.0
167.08592	7.2
168.09401	3.7
169.10153	23.9
170.10948	11.6
171.11711	37.3
172.12425	7.9
173.09631	5.5
173.13278	23.3
175.11235	17.5
175.14871	9.3
176.11902	2.1
177.11302	2.5
177.12700	3.4
179.08598	8.5
180.09332	4.5
181.10158	14.6
181.12236	6.9
182.10945	7.1
183.11703	24.7
184.12456	6.3
185.09666	3.2
185.13264	19.3
187.11215	5.1
187.14870	10.5
189.12674	8.3
190.13501	7.5
191.10669	3.2
191.14288	2.3
192.09344	2.6
193.10172	9.1
193.12262	11.3
194.10910	7.5
195.11745	16.9
195.13597	3.1
196.12479	5.7
197.09558	4.1
197.13268	20.0
198.14011	4.5
199.11180	7.3
199.14841	7.5
201.12740	6.1
201.16368	3.0
203.14355	19.2
205.10161	2.8
206.10963	2.2
207.11726	6.4
207.13824	8.2
208.12456	4.7
208.14653	4.8
209.09717	2.5
209.13303	20.6
209.15239	3.4
210.14111	4.8
211.11191	3.0
211.14861	11.9
213.12778	4.1
213.16396	5.2
215.14217	2.8
217.12334	1.9
217.15837	3.2
219.11879	2.7
219.13861	4.2
219.17549	2.3
220.12498	3.3
221.13295	9.2
221.15353	55.0
222.14075	5.0
223.14839	13.0
224.15717	2.4
225.12762	5.2
225.16386	7.8
227.14394	3.7
229.15733	2.3
233.13246	5.6
233.15343	3.2
234.14041	2.8
234.16109	9.7
235.14830	7.1
236.15567	3.0
237.12738	5.1
237.16446	8.2
238.16977	2.2
239.14299	2.1
239.17938	4.6
243.13676	1.9
245.15433	3.9
246.14066	2.8
247.14815	4.1
247.16969	10.7
249.12968	2.1
249.16385	6.5
250.17220	2.7
251.14333	3.2
251.17967	5.0
253.15891	3.1
253.19531	2.6
257.19012	2.0
259.17023	3.8
261.16351	3.1
263.18033	3.0
265.16080	2.1
265.19476	2.7
267.17462	2.0
269.19116	2.0
271.17035	4.4
273.18652	2.3
275.18051	2.6
279.17566	2.2
281.19040	4.1
283.20505	2.7
283.26462	2.2
285.18552	2.4
286.19357	3.8
289.19531	2.3
296.21487	3.0
297.18704	3.8
297.22137	2.8
299.20151	12.0
300.20822	2.5
309.18533	3.2
311.20044	2.8
311.29443	5.5
312.24689	2.0
319.20685	3.2
321.18427	1.9
323.20169	2.5
325.21674	10.6
337.21503	9.9
352.24014	74.2
365.24698	13.0
371.22897	3.6
376.27664	3.7
378.25812	3.5
383.25833	3.7
391.26303	3.7
397.27454	3.1
398.28189	6.8
404.30634	6.7
412.29794	17.9
425.30362	5.4
431.29861	1.9
438.31308	15.2
489.33783	6.6
491.34937	13.1
492.35593	5.1
504.36075	100.0
566.40948	3.0
569.39746	2.8
584.42273	18.5
584.56024	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	584.4225
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	17.8
57.07085	18.5
65.03957	4.4
66.91699	3.1
67.05508	26.7
69.03422	7.2
69.07076	16.0
70.06586	14.5
70.17479	12.6
71.08644	4.5
71.62482	2.8
73.65106	3.3
78.73730	3.4
79.05501	31.6
81.07063	45.3
83.08614	8.5
85.06562	7.5
85.10197	4.8
88.07638	6.7
89.06042	6.4
91.05490	52.6
93.07050	60.5
95.04977	33.8
95.08619	46.2
96.08917	3.4
97.06522	4.5
97.10187	4.8
98.21222	6.3
102.09169	5.9
103.05487	3.2
105.07041	85.2
107.05005	7.0
107.08604	44.5
109.06533	8.5
109.10162	30.5
115.05468	8.2
117.07028	28.7
119.08591	100.0
120.09428	5.1
121.06532	4.8
121.10152	38.1
123.08101	17.7
123.11730	7.6
128.06209	8.7
129.07018	27.8
130.07748	9.6
131.08582	61.5
132.10269	3.9
133.06572	6.2
133.08618	6.3
133.10141	56.3
135.08075	15.2
135.11684	15.9
137.09622	8.3
138.10420	7.0
141.06998	8.2
142.07771	22.7
143.08582	51.1
144.09299	10.5
145.06454	4.1
145.10146	68.7
147.08067	11.4
147.11697	21.3
149.09604	6.3
151.07571	8.9
154.07770	6.8
155.08592	17.3
156.09358	19.9
157.10149	50.5
158.10916	7.5
159.08055	8.9
159.11694	35.6
161.09610	8.6
161.13245	7.7
163.11205	7.8
165.07010	10.6
165.09117	6.8
167.08569	15.1
167.10767	4.2
168.09360	8.5
169.10159	31.7
170.10869	11.4
171.11717	38.2
172.12497	5.3
173.09656	4.4
173.13263	26.3
175.14832	19.2
177.12831	4.9
179.08592	15.2
180.09421	6.6
181.10172	14.2
182.10898	12.4
183.11705	26.3
184.12434	9.2
185.09691	5.7
185.11726	4.6
185.13213	22.6
187.11230	6.5
187.14854	16.6
189.12706	6.2
189.16516	3.5
190.13287	3.2
192.09393	7.5
193.10106	15.3
194.10927	10.3
195.11711	20.5
196.12517	8.4
197.13274	23.5
198.13925	4.2
199.14851	8.4
201.12738	4.7
201.16422	5.4
203.14317	9.6
205.10243	4.2
206.10933	5.6
207.11819	18.8
207.13661	5.5
208.12506	6.0
209.13280	27.3
209.14998	4.5
210.13969	5.1
211.14864	12.6
213.16374	6.8
217.10037	5.7
217.15935	4.0
219.11627	6.2
220.12416	5.1
220.17931	3.1
221.13237	11.8
221.15421	16.1
222.13902	5.3
222.15776	5.9
223.14819	11.3
225.16447	8.7
229.15903	5.7
231.11848	4.1
233.13300	6.2
233.15410	4.9
235.14754	9.6
236.15640	4.1
237.16345	7.7
241.19543	4.2
247.14830	10.9
249.16434	5.5
250.16968	4.1
251.17924	9.0
253.19456	5.4
255.17496	8.3
256.26346	8.3
257.19122	4.7
259.14737	3.6
261.16406	6.9
262.17227	4.4
263.17963	6.4
265.19556	7.9
267.21121	4.5
273.16275	3.5
275.17828	5.2
277.19531	4.6
279.21173	3.2
283.20551	3.7
283.26337	10.9
284.29962	4.1
291.20837	4.4
300.28934	22.8
303.21146	6.2
311.29526	20.3
321.22208	6.8
328.32013	4.2
335.23911	4.6
336.24490	5.0
339.22980	4.3
347.24042	4.8
354.25549	19.1
446.31757	6.3
492.35846	12.7
566.40485	11.1
572.96112	3.2
584.42297	55.4
584.56067	79.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.4214
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02362	3.4
53.03937	4.5
55.05513	15.0
57.07074	12.0
59.40307	2.1
62.89410	1.8
65.03921	4.6
67.05508	21.1
69.03404	4.0
69.07072	16.4
69.19897	1.9
69.60455	13.4
70.06577	2.2
71.04963	2.5
77.03862	2.4
79.05079	2.3
79.05498	32.6
80.06271	5.0
81.07066	48.1
81.13553	2.1
83.04988	4.8
83.08606	7.0
84.00741	2.3
85.06537	7.4
85.10149	2.2
87.04494	2.5
89.06017	6.2
91.05484	55.6
93.07047	69.3
94.07375	2.7
95.04977	36.1
95.08613	28.7
97.06514	4.9
101.87363	2.2
103.05453	4.9
105.07039	100.0
106.07307	3.1
107.08614	37.6
109.06506	7.5
109.10172	17.7
115.05454	7.3
116.06236	2.6
117.07027	26.2
119.04910	2.4
119.08588	95.0
120.08907	4.6
121.06493	4.8
121.10143	40.2
123.08088	22.4
123.11697	7.3
128.06227	18.2
129.07025	25.2
130.07828	10.0
131.08582	50.6
132.09320	7.3
133.06470	4.1
133.08574	3.5
133.10150	47.7
134.10873	2.4
135.08072	10.9
135.11723	13.5
137.09605	7.0
138.10374	6.1
139.11217	2.4
141.06999	12.9
142.07774	21.9
143.08571	51.3
144.09348	12.9
145.10127	80.4
146.10582	4.4
147.08008	6.8
147.11690	25.2
148.08740	2.1
149.09636	7.6
149.13258	2.9
151.11200	6.0
153.06998	5.2
154.07730	7.7
155.05936	2.5
155.08568	27.2
156.09369	20.9
157.10147	54.3
158.10771	8.3
159.08043	6.7
159.11719	42.9
161.09602	6.7
161.13239	8.6
163.11137	4.2
165.06963	9.6
166.07686	2.7
167.08557	9.8
167.10612	13.8
168.09320	7.0
168.10918	3.3
169.10121	36.1
170.10860	10.8
171.11710	32.7
172.12146	2.8
173.09653	3.2
173.13272	23.7
175.11148	3.2
175.14828	5.9
179.08603	11.4
180.09291	9.2
181.10175	24.5
182.10933	10.9
183.11714	34.2
184.12308	6.2
185.13246	13.7
186.13803	2.4
187.11253	4.0
187.14833	8.4
189.12706	7.3
191.14355	9.8
192.09309	7.1
193.10147	16.1
194.10857	7.9
195.11719	27.8
196.12427	6.2
197.09685	3.1
197.13289	20.4
198.13831	2.5
199.11200	4.9
199.14839	10.8
201.12700	4.4
203.14351	4.5
205.10069	3.8
206.10931	10.7
207.11745	18.1
207.13652	3.8
208.12366	7.7
209.13275	24.1
210.13710	3.9
211.11047	3.0
211.14789	17.3
212.15318	2.8
213.12770	3.4
213.16219	2.7
215.14240	3.0
217.10176	3.3
217.15903	3.2
218.10876	2.6
219.11687	8.7
220.12459	3.6
221.13219	14.6
221.15334	5.6
222.13898	5.8
222.15831	4.7
223.14883	18.3
224.15431	4.7
225.12852	2.5
225.16391	10.5
227.14214	2.7
231.11691	4.2
232.12328	3.1
233.13353	10.4
233.15295	2.8
234.13890	4.5
235.14848	12.0
237.16335	11.9
238.17046	2.4
239.17908	6.2
241.15866	2.5
243.11456	2.7
245.13234	5.3
246.13838	3.4
247.14760	8.4
248.15472	2.9
249.16333	7.6
251.17986	6.8
256.26437	2.1
257.13068	3.5
258.14041	3.2
259.14752	4.1
261.16510	5.2
262.17026	3.2
263.17993	6.5
265.19537	3.7
267.17529	2.9
269.19125	4.3
273.16354	4.6
275.17935	7.2
276.18436	4.1
281.18997	5.7
282.19592	4.0
283.20358	5.7
283.26242	3.0
287.17892	2.7
289.19376	3.8
300.28839	4.9
303.21106	3.2
311.29550	10.4
317.22272	2.7
321.22195	4.1
323.23737	6.2
349.25046	4.5
354.25604	4.2
428.30688	4.2
446.31683	5.4
492.35754	4.6
548.39716	2.6
566.40613	7.4
584.41943	39.8
584.55890	23.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.2349
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.7
54.96597	0.4
55.01874	0.5
55.05526	1.0
56.55854	0.4
57.03444	0.5
61.02919	0.4
62.82425	0.4
67.05515	0.8
69.03428	1.7
69.20855	2.7
69.21271	1.5
71.05010	0.5
79.05518	0.7
80.05023	2.1
81.03426	0.9
81.07079	1.2
82.72018	0.4
83.04991	5.5
84.50445	0.5
85.02921	3.6
85.06551	0.8
86.09714	0.8
91.05477	1.8
93.07042	1.3
95.08614	1.5
96.04497	1.8
97.02905	2.0
97.06539	0.4
99.04498	0.5
102.07187	0.5
103.05476	1.3
105.07049	1.4
106.02856	0.5
107.04981	1.2
107.08625	1.1
109.06528	0.9
109.10149	0.9
113.06031	0.4
117.07026	0.5
119.08598	1.2
121.06493	0.6
123.04465	0.9
123.08113	1.1
124.03975	100.0
127.03922	0.8
129.07034	0.8
131.04921	2.9
131.08614	1.2
132.05290	1.5
133.06540	0.8
133.10144	0.6
135.08081	0.6
136.07588	0.4
137.02440	0.5
137.06020	1.8
145.06512	0.8
145.10103	0.6
147.04582	0.4
147.08052	0.7
149.06029	0.6
149.09619	0.4
151.07518	0.5
159.08093	1.5
163.07553	0.6
165.09134	1.1
167.07085	1.4
171.11772	0.4
175.07588	2.8
177.09160	1.2
187.07649	0.4
187.11255	0.4
193.08627	7.1
199.11340	0.4
205.08661	1.9
205.12320	1.5
217.12238	0.8
223.09648	1.1
233.11758	0.7
235.13448	0.7
241.10709	0.9
251.12889	0.9
263.12747	4.1
269.13879	1.2
281.14236	1.0
299.14920	2.1
336.18277	0.5
404.26572	0.6
422.18185	28.8
423.18588	0.8
467.91800	0.5
584.23566	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.4225
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	17.8
57.07085	18.5
65.03957	4.4
66.91699	3.1
67.05508	26.7
69.03422	7.2
69.07076	16.0
70.06586	14.5
70.17479	12.6
71.08644	4.5
71.62482	2.8
73.65106	3.3
78.73730	3.4
79.05501	31.6
81.07063	45.3
83.08614	8.5
85.06562	7.5
85.10197	4.8
88.07638	6.7
89.06042	6.4
91.05490	52.6
93.07050	60.5
95.04977	33.8
95.08619	46.2
96.08917	3.4
97.06522	4.5
97.10187	4.8
98.21222	6.3
102.09169	5.9
103.05487	3.2
105.07041	85.2
107.05005	7.0
107.08604	44.5
109.06533	8.5
109.10162	30.5
115.05468	8.2
117.07028	28.7
119.08591	100.0
120.09428	5.1
121.06532	4.8
121.10152	38.1
123.08101	17.7
123.11730	7.6
128.06209	8.7
129.07018	27.8
130.07748	9.6
131.08582	61.5
132.10269	3.9
133.06572	6.2
133.08618	6.3
133.10141	56.3
135.08075	15.2
135.11684	15.9
137.09622	8.3
138.10420	7.0
141.06998	8.2
142.07771	22.7
143.08582	51.1
144.09299	10.5
145.06454	4.1
145.10146	68.7
147.08067	11.4
147.11697	21.3
149.09604	6.3
151.07571	8.9
154.07770	6.8
155.08592	17.3
156.09358	19.9
157.10149	50.5
158.10916	7.5
159.08055	8.9
159.11694	35.6
161.09610	8.6
161.13245	7.7
163.11205	7.8
165.07010	10.6
165.09117	6.8
167.08569	15.1
167.10767	4.2
168.09360	8.5
169.10159	31.7
170.10869	11.4
171.11717	38.2
172.12497	5.3
173.09656	4.4
173.13263	26.3
175.14832	19.2
177.12831	4.9
179.08592	15.2
180.09421	6.6
181.10172	14.2
182.10898	12.4
183.11705	26.3
184.12434	9.2
185.09691	5.7
185.11726	4.6
185.13213	22.6
187.11230	6.5
187.14854	16.6
189.12706	6.2
189.16516	3.5
190.13287	3.2
192.09393	7.5
193.10106	15.3
194.10927	10.3
195.11711	20.5
196.12517	8.4
197.13274	23.5
198.13925	4.2
199.14851	8.4
201.12738	4.7
201.16422	5.4
203.14317	9.6
205.10243	4.2
206.10933	5.6
207.11819	18.8
207.13661	5.5
208.12506	6.0
209.13280	27.3
209.14998	4.5
210.13969	5.1
211.14864	12.6
213.16374	6.8
217.10037	5.7
217.15935	4.0
219.11627	6.2
220.12416	5.1
220.17931	3.1
221.13237	11.8
221.15421	16.1
222.13902	5.3
222.15776	5.9
223.14819	11.3
225.16447	8.7
229.15903	5.7
231.11848	4.1
233.13300	6.2
233.15410	4.9
235.14754	9.6
236.15640	4.1
237.16345	7.7
241.19543	4.2
247.14830	10.9
249.16434	5.5
250.16968	4.1
251.17924	9.0
253.19456	5.4
255.17496	8.3
256.26346	8.3
257.19122	4.7
259.14737	3.6
261.16406	6.9
262.17227	4.4
263.17963	6.4
265.19556	7.9
267.21121	4.5
273.16275	3.5
275.17828	5.2
277.19531	4.6
279.21173	3.2
283.20551	3.7
283.26337	10.9
284.29962	4.1
291.20837	4.4
300.28934	22.8
303.21146	6.2
311.29526	20.3
321.22208	6.8
328.32013	4.2
335.23911	4.6
336.24490	5.0
339.22980	4.3
347.24042	4.8
354.25549	19.1
446.31757	6.3
492.35846	12.7
566.40485	11.1
572.96112	3.2
584.42297	55.4
584.56067	79.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4157
Annotation	Diadinochrome
Peak:m/z	Relative Intensity
53.03951	3.5
55.05523	6.5
57.07086	5.3
59.05003	3.6
61.99667	0.9
65.03948	1.5
67.05517	13.1
69.03439	4.7
69.07081	7.5
79.05504	12.6
80.48733	0.9
81.07071	15.1
83.05030	1.5
83.08635	3.2
85.06570	3.2
91.04978	1.5
91.05501	17.7
93.07064	28.6
93.09907	1.3
95.04994	4.3
95.08622	28.0
97.06526	1.5
98.98470	1.7
105.04583	1.2
105.07050	34.5
107.08614	18.4
108.05692	1.0
109.06533	3.7
109.10182	8.3
111.08112	1.9
112.37366	0.9
115.05491	2.8
117.07048	8.6
119.08602	28.3
121.06548	3.0
121.10165	22.3
123.08090	18.2
123.11720	2.3
125.06023	1.5
128.06277	4.3
129.07056	5.6
130.07797	2.4
131.08611	10.4
133.06555	1.8
133.10146	18.2
135.08089	5.5
135.11751	3.8
137.09651	9.6
141.07050	2.8
142.07803	9.6
143.08592	16.3
144.09399	3.7
145.10141	22.5
147.08067	18.0
147.10693	1.1
147.11732	6.5
149.09659	3.0
151.07581	20.5
153.07048	1.5
155.08650	5.6
156.09364	8.3
157.10164	25.4
158.10867	2.0
159.08110	2.0
159.11707	12.3
161.09644	3.6
161.13307	5.1
163.11235	4.5
165.06995	2.3
165.09148	34.4
166.07806	1.6
167.08632	4.1
167.10658	1.5
168.09473	2.8
169.10144	11.0
170.10994	4.8
171.11714	15.1
172.12465	1.8
173.09703	2.5
173.13284	7.3
175.11240	1.4
175.14879	1.8
177.12775	1.2
179.08601	4.3
180.09407	2.7
181.10158	7.5
181.12285	2.1
182.10983	3.5
183.11719	11.9
184.12399	2.3
185.13298	13.5
187.11174	1.2
187.14807	2.8
189.12756	6.1
191.14349	2.6
192.09489	1.1
193.10196	5.1
193.12007	0.9
194.10959	4.6
195.11726	9.5
196.12573	3.3
197.13309	11.6
199.11212	1.9
199.14899	4.3
201.12830	1.6
201.16447	1.1
203.14355	14.5
205.10251	2.2
206.10994	4.0
207.11798	5.1
207.13887	8.8
208.12505	4.7
209.13315	11.9
209.15170	1.5
210.14006	2.2
211.11246	1.3
211.14885	5.4
212.15648	1.4
213.12845	1.6
213.16496	2.6
215.14359	1.9
219.11790	3.0
220.12546	1.3
221.13339	7.5
221.15388	63.5
223.14902	7.2
225.16463	2.7
229.15884	2.1
230.10982	1.5
231.11740	1.5
231.17470	2.5
232.12540	1.3
233.13351	3.3
233.15413	1.6
234.14105	2.5
235.14864	5.3
237.16420	3.4
239.17953	2.3
241.15997	1.5
243.11897	1.3
245.13295	2.5
246.14159	1.8
247.14874	5.8
247.17053	2.3
249.16455	5.0
250.17281	1.7
251.18095	2.5
253.19673	2.8
253.70844	1.0
255.17453	1.7
257.19116	2.2
259.14914	3.2
260.15723	1.4
261.16464	4.2
263.18051	3.3
265.19562	2.6
269.19135	2.0
271.20734	1.7
272.15735	1.7
273.16513	2.2
275.17996	2.8
277.19635	3.0
279.21259	3.1
281.19110	1.2
283.20618	5.8
286.19412	1.4
287.20157	3.0
289.19638	1.6
291.20975	1.3
293.19052	1.2
295.20749	4.0
297.22253	3.7
301.19733	1.5
309.22028	1.0
317.22974	1.1
331.24228	1.5
347.24054	1.5
349.25281	1.8
352.24124	1.7
357.25739	2.0
365.24756	3.9
375.26904	7.2
385.29132	1.6
403.30011	12.7
503.35114	6.6
509.34128	2.2
547.39661	3.3
548.39355	1.2
565.40491	34.0
565.48975	1.9
583.41577	100.0
584.41956	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	583.4157
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	7.1
55.01901	2.3
55.05515	19.6
57.07084	11.2
59.05006	4.3
65.03947	7.6
67.05515	28.7
67.42195	2.3
69.03432	11.9
69.07069	18.0
69.76450	7.5
69.76862	4.7
71.05012	2.5
79.05518	27.3
81.07075	36.5
81.76669	2.2
82.85560	2.0
83.04988	8.9
83.08633	11.5
85.06559	6.7
87.04449	2.2
91.05495	57.0
91.06025	4.1
93.07058	61.5
95.04993	10.1
95.08626	33.6
97.06559	6.4
98.20853	4.4
103.05486	6.6
104.06223	2.1
105.04517	3.0
105.07048	82.5
107.07909	2.5
107.08625	50.0
108.43442	2.4
109.06529	10.5
109.10175	27.5
111.08121	3.9
115.05457	5.5
117.07059	18.5
119.08607	100.0
121.06514	6.3
121.10162	46.1
123.08084	15.8
123.11726	9.6
125.06046	5.2
125.09641	3.5
128.06259	19.1
129.07031	18.9
130.07806	7.5
131.08583	41.5
133.08661	2.6
133.10155	47.7
133.11102	3.5
135.08099	11.9
135.11737	15.2
137.09650	9.2
139.11211	3.4
141.06973	12.5
142.07819	33.0
143.08583	46.8
144.09381	8.9
145.06494	3.0
145.10147	59.8
147.08047	16.2
147.11702	18.6
149.09673	7.5
149.13345	3.5
151.07588	13.7
153.07051	6.6
154.07790	4.0
155.01031	3.1
155.08597	20.1
156.09404	22.1
157.10149	63.5
158.10968	8.7
159.08110	5.5
159.11722	31.2
161.09691	6.7
161.13290	10.2
163.11241	9.9
165.07088	12.3
165.09163	26.9
166.07787	7.5
167.08600	15.1
167.10733	13.9
168.09360	9.2
169.10158	37.4
170.10999	11.4
171.08064	2.3
171.11737	40.5
173.09679	3.0
173.13258	27.3
175.11215	6.1
175.14848	10.3
177.12605	2.7
178.07669	3.9
179.08585	21.0
180.09398	8.5
181.10149	23.4
181.12265	8.7
182.10959	7.8
183.11705	33.6
184.12532	4.6
185.09619	3.1
185.13272	19.2
187.11270	3.5
187.14914	7.7
189.12849	8.0
189.16502	2.4
191.08542	3.9
191.14395	11.3
192.09421	6.3
193.10162	17.2
194.10902	15.6
195.11768	23.3
196.12482	6.3
197.13269	24.3
198.14075	4.1
199.11223	4.7
199.14844	19.1
201.16454	2.5
203.08661	2.7
203.14293	11.0
205.10162	7.9
206.10992	9.5
207.11754	23.8
207.13747	6.2
208.12544	9.9
209.13271	36.6
209.15126	3.9
210.14076	3.2
211.14868	13.0
213.12851	2.8
213.16481	4.0
215.14407	4.4
217.10069	3.3
217.15930	16.1
218.10956	3.5
219.11737	11.7
220.12567	9.1
221.13304	17.3
221.15428	55.3
222.14029	5.4
223.14844	13.0
225.12781	3.8
225.16428	7.4
230.10959	3.0
231.11742	6.5
232.12486	7.6
233.13313	11.5
233.15279	4.8
234.14087	3.5
235.14777	15.2
236.15642	4.0
237.16411	9.0
239.18045	7.1
243.11794	4.3
244.12468	3.9
245.13318	7.1
246.14151	6.8
247.14882	10.4
247.17062	2.6
248.15749	5.2
249.16432	11.8
250.17249	3.3
251.18056	4.0
257.13309	2.8
257.19122	6.7
258.14108	4.7
259.14871	9.7
260.15622	5.5
261.16455	9.6
263.17953	7.7
265.19556	10.3
269.19077	3.0
271.14777	3.0
273.16504	8.6
275.17856	13.3
277.19589	3.6
279.17499	2.5
279.20862	2.4
283.20557	17.4
285.18835	4.4
287.17722	2.7
289.19574	5.3
293.18839	2.6
295.20590	3.5
297.22195	3.3
299.20535	2.8
301.19501	4.9
303.21021	2.9
307.20615	4.3
321.22372	3.2
331.24225	7.2
347.23801	2.5
349.25250	10.1
373.25546	2.6
375.27115	5.2
376.57242	2.2
403.30212	4.9
473.33719	3.2
491.34723	6.4
503.34985	2.9
565.40320	16.2
583.41614	72.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4151
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	3.2
55.05519	7.7
56.02428	1.1
57.07074	5.7
59.04998	3.3
67.05171	1.8
67.05507	17.0
67.91960	0.9
69.03434	6.0
69.07071	9.2
69.14996	0.9
79.05499	15.3
81.07060	16.3
83.04980	2.7
83.08617	3.5
83.39036	1.0
85.06546	3.5
85.61994	0.9
91.05488	20.5
93.07048	30.0
95.04977	5.6
95.08609	28.5
97.06528	2.0
103.05496	1.8
105.07034	34.2
107.04999	5.7
107.08598	17.8
109.06541	5.6
109.10166	9.3
115.05524	2.5
117.07020	7.2
119.08593	31.5
121.06496	5.4
121.10153	21.5
122.07305	1.7
123.08067	15.5
123.11679	1.5
125.09659	1.3
128.06255	4.3
129.07027	7.3
130.07796	2.4
131.08572	16.4
133.06512	3.4
133.10155	17.7
135.08061	7.2
135.11720	4.8
137.09589	9.6
141.07021	2.5
142.07776	10.1
143.08566	17.3
144.09348	4.3
145.10139	24.4
146.10938	1.3
147.08049	22.1
147.11662	5.4
149.09648	4.3
151.06363	0.9
151.07547	22.4
154.07835	2.1
155.08565	7.3
156.09334	9.1
157.10141	28.6
158.10864	1.9
159.08093	2.3
159.11710	13.4
161.09616	3.6
161.13263	7.1
163.11165	7.0
165.07045	2.5
165.09116	34.2
167.08644	3.7
167.10759	1.6
168.09378	2.4
169.10159	11.9
170.10889	5.8
171.11708	15.4
172.12605	1.2
173.09685	2.4
173.13271	7.0
175.11125	1.9
175.14882	2.5
177.09233	1.6
177.12788	2.0
179.08659	5.1
180.09348	1.9
181.10197	6.6
181.12221	2.3
182.11002	5.2
183.11693	13.9
184.12416	2.7
185.13295	13.4
187.11246	2.5
187.14836	3.5
189.12721	7.2
191.14383	2.6
192.09383	2.5
193.10178	5.3
194.10945	3.2
195.11716	9.9
196.12560	4.0
197.13237	9.3
199.14873	4.3
201.16432	2.0
203.14297	17.9
205.10184	2.3
206.10995	2.6
207.11784	7.7
207.13878	7.0
208.12495	3.0
209.13269	11.8
209.15109	1.4
210.14024	2.0
211.14894	5.4
213.12775	2.4
213.16473	2.5
215.14404	1.7
219.11687	3.0
219.17474	5.2
220.12531	3.6
221.13297	8.2
221.15343	60.6
222.14006	2.0
223.14848	7.6
225.12735	1.4
225.16476	3.5
227.14384	1.4
229.15834	1.9
231.11760	2.5
231.17555	3.0
232.12502	1.4
233.13293	4.0
233.15434	2.3
234.14005	1.9
235.14845	6.2
236.15680	1.9
237.16437	4.8
239.18098	1.5
243.11839	1.5
244.12479	1.2
245.13339	1.7
246.14023	1.5
247.14854	3.3
247.17059	3.0
248.15602	2.1
249.16486	3.6
250.17053	1.2
251.18076	1.9
253.19647	1.9
257.13251	1.5
257.19000	2.0
258.14276	1.1
259.14841	1.8
260.15759	1.8
261.16443	3.9
263.18057	3.5
265.19550	2.9
271.20758	3.1
274.17020	1.2
275.17987	3.1
277.19577	2.4
279.21240	3.4
281.19119	2.6
283.20630	3.8
291.21265	1.8
293.19119	1.5
295.20514	5.2
297.22238	4.4
305.17532	2.2
309.22165	1.8
315.21191	1.6
331.24301	1.8
333.22217	1.7
352.23990	1.5
357.25507	1.9
365.24814	3.6
373.25446	1.2
375.26758	6.2
385.28983	2.1
403.30017	14.4
491.34424	1.9
503.35095	8.0
509.34259	3.5
547.39160	2.7
565.40356	29.4
583.41528	100.0
584.41833	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4149
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.3
55.05518	13.7
57.07082	10.7
59.04996	3.7
65.03940	2.6
67.05177	2.5
67.05513	21.4
69.03422	7.2
69.07067	14.8
69.23358	15.7
77.03945	1.7
79.05500	23.4
81.07065	27.8
83.04977	6.5
83.08611	4.6
85.06546	5.6
91.05490	44.6
93.07056	50.5
95.04439	1.6
95.04988	9.1
95.08060	2.8
95.08617	34.0
97.06530	3.8
98.21092	7.5
103.05450	3.2
105.04514	2.3
105.07042	70.4
107.08604	44.5
109.06531	8.4
109.10187	18.0
111.08099	1.8
115.05431	3.8
116.06184	2.1
117.07027	15.7
119.08591	73.3
121.06495	6.5
121.10146	42.2
123.08063	17.1
123.11717	5.7
123.14831	1.6
125.05907	2.3
128.06232	14.6
129.07016	20.6
130.07796	6.5
131.08588	33.6
133.06578	2.5
133.10153	32.6
135.08096	10.6
135.11717	12.1
137.09639	14.7
139.62352	1.7
141.06984	11.9
142.07788	22.1
143.08572	36.5
144.09344	5.6
145.10144	47.8
145.11304	2.6
147.08076	18.0
147.11731	15.0
149.09688	5.6
149.13283	3.3
151.07568	18.6
151.11137	2.2
153.07007	5.1
154.07816	4.5
155.06046	1.9
155.08582	16.7
156.09369	16.5
157.10147	54.4
158.10944	6.0
159.08058	3.5
159.11696	24.3
161.09662	4.4
161.13228	7.9
163.11211	7.4
165.07066	8.2
165.09138	36.9
166.07794	3.8
166.99644	1.7
167.08603	9.7
167.10690	10.4
168.09373	7.0
169.10138	29.4
170.10902	7.0
171.11693	31.3
172.08752	1.7
173.09647	3.8
173.13280	22.1
175.11237	2.8
175.14874	8.5
178.07806	4.5
179.08583	12.3
180.09415	7.6
181.10159	16.3
181.12207	5.3
182.10921	9.2
183.11732	26.8
184.12550	5.1
185.09698	2.2
185.13283	15.5
187.11198	4.0
187.14894	7.6
189.12820	4.9
191.14371	7.6
192.09325	7.9
193.10165	17.0
194.10948	13.4
195.11725	25.4
196.12482	8.0
197.13307	20.7
199.11316	3.3
199.14867	12.5
199.20076	2.1
201.16486	3.5
203.14362	19.0
205.10161	3.4
206.10948	8.1
207.11740	18.0
207.13875	6.6
208.12384	7.8
209.13316	26.2
209.15202	2.7
210.14049	4.5
211.14899	13.0
213.12790	2.1
213.16502	3.4
215.14249	3.3
217.10158	3.2
217.15984	9.5
218.10941	1.9
219.11720	8.3
220.12476	6.9
221.13295	13.9
221.15343	70.5
222.14128	5.0
223.14838	14.0
224.15649	3.9
225.12854	1.8
225.16367	5.6
227.14278	2.7
227.17912	2.1
229.15945	2.0
230.10812	2.3
231.11746	4.5
231.17418	3.0
232.12537	4.5
233.13303	12.9
233.15482	4.9
234.14130	6.1
235.14798	12.2
236.15625	3.2
237.16437	6.8
239.17934	3.5
243.11697	2.6
243.17627	2.6
244.12469	3.6
245.13237	10.3
246.14157	4.7
247.14929	7.7
247.17068	2.6
248.15630	2.8
249.16455	7.5
250.17105	2.2
251.17946	5.3
253.19548	2.3
257.13284	2.5
257.18997	4.7
258.14096	2.9
259.14862	7.3
260.15695	4.3
261.16486	8.3
262.17255	2.7
263.18091	6.1
265.19556	9.1
269.18964	4.2
271.14676	3.0
271.20572	3.7
272.15521	2.1
273.16446	6.0
274.17139	2.3
275.17862	9.1
277.16385	1.8
277.19678	4.5
279.13721	1.7
279.21213	2.0
281.18973	2.0
283.20639	14.1
286.19339	2.6
287.17688	3.4
287.20511	3.5
289.19644	5.9
291.21179	1.7
293.19269	2.3
295.20624	4.6
297.22284	5.6
300.20789	2.2
301.19403	3.4
309.22162	2.2
315.21167	1.9
329.22977	2.1
331.20587	1.8
331.24277	5.3
333.22162	2.8
347.23773	3.0
349.25348	4.3
352.23999	2.2
365.24783	2.6
375.26843	10.6
403.29929	8.2
404.60571	1.9
480.51062	1.8
491.35236	4.9
503.35355	7.1
547.39233	3.8
565.40417	23.0
583.41510	100.0
584.41974	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4153
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	2.0
53.03952	6.5
55.05521	18.1
57.07088	12.6
59.04993	4.4
65.03954	4.1
67.05514	26.5
69.03447	10.3
69.07075	16.6
69.32602	2.1
70.91193	4.3
77.03928	3.2
79.05503	27.3
81.07065	34.8
83.05000	7.9
83.08630	8.2
85.06550	4.8
91.04972	3.9
91.05491	44.3
93.06481	4.1
93.07057	55.2
95.04972	10.8
95.08626	38.6
97.06567	5.4
103.05463	4.6
103.71770	1.8
105.07052	75.8
107.08604	47.7
109.06542	7.6
109.10171	19.5
111.08118	3.2
112.16305	2.2
115.05497	4.5
116.06238	2.9
117.07033	17.6
119.08599	86.1
121.06544	7.2
121.10166	47.2
123.08102	15.1
123.11736	5.9
125.06039	2.5
125.09666	3.0
128.06230	14.4
129.07031	20.2
130.07802	6.9
131.08589	35.9
133.06474	4.4
133.10152	40.1
135.08104	10.9
135.11720	14.6
137.09660	13.2
141.07037	7.7
142.07813	23.1
143.08582	51.2
144.09372	8.4
145.06422	2.2
145.10153	54.6
147.08061	24.5
147.11731	16.5
149.09680	5.5
149.13295	4.1
151.07556	19.2
151.11255	2.9
153.07048	3.1
154.07811	4.3
155.08598	19.7
156.09344	19.9
157.10161	57.2
158.10944	9.8
159.08080	6.5
159.11713	30.6
161.09651	6.9
161.13303	10.4
163.11235	9.0
165.07018	7.4
165.09131	37.9
166.07855	2.8
167.08624	11.3
167.10684	12.9
168.09393	6.5
169.10135	30.4
170.10957	11.6
171.11739	32.9
172.12486	3.3
173.09628	4.2
173.13283	26.0
175.11195	3.8
175.14848	9.5
177.09158	2.5
178.07848	2.8
179.08553	19.9
180.09369	6.8
181.10136	19.4
181.12306	5.6
182.10995	7.4
183.11722	30.9
184.12547	5.6
185.09637	2.6
185.13257	21.2
187.11292	3.3
187.14893	9.9
189.12836	9.2
191.08725	2.5
191.14304	10.9
192.09422	8.4
193.10196	16.6
194.10982	14.2
195.11726	24.4
196.12503	5.0
197.13258	22.0
199.11220	3.1
199.14882	20.4
201.16515	2.4
203.08495	3.0
203.14357	16.2
205.10152	4.8
206.10976	6.7
207.11748	18.1
207.13797	8.1
208.12621	6.0
209.13284	29.5
209.15179	3.8
210.14153	3.2
211.14787	13.9
213.12770	3.6
213.16292	3.4
215.14403	4.7
217.10269	3.5
217.15982	12.1
218.10968	3.6
219.11752	8.3
220.12581	6.6
221.13298	19.6
221.15456	77.5
222.13998	4.9
223.14859	14.4
224.15669	4.4
225.16490	5.2
227.14354	2.7
230.10855	2.6
231.11839	7.2
231.17619	3.4
232.12436	3.6
233.13324	8.8
233.15436	5.9
234.14084	3.7
235.14882	12.4
236.15544	2.9
237.12973	3.3
237.16429	8.8
239.14301	2.1
239.18024	5.7
243.17337	2.2
245.13293	9.1
246.14128	8.0
247.14931	10.2
247.17140	4.3
248.15585	3.2
249.16492	11.9
251.17984	7.5
253.19531	2.6
255.17441	3.4
257.19052	9.4
258.13940	3.0
259.14865	7.5
260.15637	5.9
261.16449	9.7
263.18051	8.4
265.16809	2.2
265.19562	8.5
269.19101	5.2
271.14880	4.2
273.16547	8.0
274.16986	2.5
275.17957	13.2
277.19461	5.6
283.20624	15.5
286.19446	3.6
287.17749	3.3
289.19485	3.8
291.21140	3.3
295.20395	3.2
297.22189	6.4
299.20288	3.0
301.19580	5.1
305.22797	2.5
307.20837	2.3
315.21375	2.4
317.22668	3.2
331.24240	9.5
335.23776	2.9
349.25293	7.4
361.25397	3.8
365.25000	5.0
373.25763	2.8
375.26849	8.0
403.30084	7.8
491.35272	6.1
503.35382	5.5
547.39435	4.2
565.40393	22.1
568.38599	2.4
583.41577	100.0
584.41791	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	582.4369
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	24.5
57.03426	13.3
57.07076	12.5
67.05509	57.0
69.07072	43.9
71.51631	10.5
78.08241	6.8
79.05503	36.8
80.64417	6.4
81.07069	55.1
83.08623	49.4
91.05478	19.8
91.91102	6.8
92.01295	6.2
93.07042	61.8
95.08625	48.7
96.66013	6.7
97.06523	11.2
105.07030	16.7
107.08571	41.7
109.10109	13.4
111.08063	12.3
117.07024	11.5
119.08599	17.5
121.10139	28.4
131.08580	16.7
133.10123	11.0
135.11697	10.8
147.08173	7.9
147.11736	10.9
149.13260	57.5
151.72615	6.7
159.11729	13.6
167.14304	16.0
192.20412	6.6
207.14218	7.6
221.15421	15.2
231.15869	42.3
261.22220	12.1
269.17493	75.1
287.18524	100.0
335.25815	49.0
346.87708	7.5
547.40009	47.8
581.89594	6.7
582.27698	19.4
582.40466	26.5
583.40869	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	582.2451
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36579	0.5
55.01932	0.4
57.03464	0.5
59.29734	0.4
65.03979	0.6
66.73639	0.4
67.05550	0.9
69.03480	0.9
70.06630	0.8
71.51245	0.9
79.05560	1.9
81.03468	0.9
81.07127	0.6
83.05025	0.6
84.08193	0.9
85.02959	1.0
86.09737	0.6
91.05486	2.5
93.05872	0.5
93.07074	0.8
94.06645	1.6
95.01379	0.5
95.05029	0.8
95.07440	0.5
95.08645	0.9
96.08189	0.6
97.02976	1.5
97.06575	0.6
99.00925	0.5
103.05536	1.7
105.03447	0.5
106.06623	1.0
107.05054	1.6
107.07384	0.7
108.08127	5.3
110.09747	1.2
111.04524	0.7
115.05549	0.7
117.07076	0.6
117.47862	0.4
119.05010	1.0
120.04534	1.0
120.08101	2.6
121.02939	0.8
122.05996	2.3
122.09777	2.1
123.06873	1.2
124.07718	1.1
129.07069	0.7
131.04909	2.7
132.05406	0.7
132.08122	1.1
134.06064	1.0
134.09828	1.4
135.06871	0.9
136.07593	10.6
137.06091	1.0
137.08467	1.5
138.09155	11.3
144.04544	0.7
145.05159	0.6
146.06125	1.4
147.06825	0.8
148.07555	2.4
149.08420	0.8
150.09142	4.1
151.03995	0.7
151.06284	4.7
151.10057	1.2
152.07169	0.8
152.10721	4.1
153.01906	1.0
160.03946	1.0
162.05576	1.0
162.09233	1.1
164.07140	1.1
164.10710	0.9
165.09189	0.5
166.08647	33.2
167.07185	1.4
168.10330	1.9
172.03940	2.9
174.09309	0.5
178.05174	0.5
178.08786	1.1
180.10156	2.9
181.10982	0.5
182.04591	0.7
182.11784	8.3
183.09294	0.8
186.09221	0.8
190.05074	2.4
194.08261	1.0
196.06189	0.8
196.09964	0.5
197.10941	1.8
198.11575	0.6
203.07143	0.5
203.08928	0.6
204.06612	3.5
207.09380	1.1
209.10887	1.5
210.09373	0.6
210.11507	0.7
211.08862	2.0
211.12340	0.6
213.10413	1.9
221.10825	0.5
222.07860	0.8
223.08894	1.3
225.10362	2.0
226.11130	1.2
227.08434	0.5
227.11983	1.4
228.12720	0.9
232.13353	0.5
233.09819	0.4
235.08897	2.0
236.07262	0.6
236.09592	1.9
237.10199	4.4
239.08337	1.6
239.11998	1.5
241.09918	0.8
248.09454	0.7
249.10283	4.2
250.11214	1.6
251.08243	2.6
251.11893	1.8
252.12656	0.7
253.09895	0.9
253.13582	0.6
255.11400	0.6
259.14474	2.4
263.08157	2.9
263.11917	1.0
264.09106	2.1
265.09744	7.2
266.10599	1.7
267.07645	3.4
267.11420	1.7
269.09970	0.6
269.12994	2.1
271.10754	0.6
277.09698	3.2
278.07333	0.5
278.10736	0.8
279.07831	1.2
279.11392	2.4
281.09476	1.3
281.13086	1.5
282.10083	0.5
283.10953	1.6
285.12463	0.8
287.05441	4.8
287.13919	12.1
288.05869	3.7
291.07764	2.3
291.10797	0.6
293.09335	4.3
293.12570	1.0
294.09903	0.5
295.10721	2.5
296.08365	0.8
296.11584	0.7
297.12564	1.5
307.10855	1.4
309.08780	6.8
309.12338	1.3
310.09564	0.7
311.10376	1.7
311.14078	1.5
313.12115	0.9
313.15497	4.6
319.07175	0.5
321.12637	0.6
323.10263	6.9
324.11047	0.9
325.12106	1.4
326.12878	1.2
327.13742	1.2
328.14444	0.8
337.08078	1.4
337.12070	1.3
338.12778	0.9
339.09882	0.8
339.13477	3.8
340.14575	0.6
341.11496	0.6
342.12332	0.6
342.16107	0.7
343.16846	0.7
346.15845	0.5
351.09753	1.1
354.12485	0.9
355.12988	1.1
356.14172	1.2
357.14624	1.9
370.15866	0.8
371.16089	15.3
372.17059	1.4
374.14816	1.2
383.12643	1.4
384.13281	0.6
385.14111	1.2
397.14258	0.7
398.14923	1.1
400.16656	3.1
402.14542	1.6
415.15399	1.5
416.16327	1.4
430.13580	0.9
430.18558	0.6
432.19333	1.1
435.10852	1.3
436.11118	4.5
440.16324	0.6
444.15323	1.1
446.16614	0.7
448.18524	0.9
450.20569	0.7
458.17267	1.4
459.18137	1.0
462.16656	0.6
474.20337	1.4
476.18054	1.1
486.16644	1.2
490.19855	3.4
493.17715	0.6
500.18384	3.3
518.19287	24.3
550.21881	100.0
551.22272	3.8
582.24481	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	582.2451
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36579	0.5
55.01932	0.4
57.03464	0.5
59.29734	0.4
65.03979	0.6
66.73639	0.4
67.05550	0.9
69.03480	0.9
70.06630	0.8
71.51245	0.9
79.05560	1.9
81.03468	0.9
81.07127	0.6
83.05025	0.6
84.08193	0.9
85.02959	1.0
86.09737	0.6
91.05486	2.5
93.05872	0.5
93.07074	0.8
94.06645	1.6
95.01379	0.5
95.05029	0.8
95.07440	0.5
95.08645	0.9
96.08189	0.6
97.02976	1.5
97.06575	0.6
99.00925	0.5
103.05536	1.7
105.03447	0.5
106.06623	1.0
107.05054	1.6
107.07384	0.7
108.08127	5.3
110.09747	1.2
111.04524	0.7
115.05549	0.7
117.07076	0.6
117.47862	0.4
119.05010	1.0
120.04534	1.0
120.08101	2.6
121.02939	0.8
122.05996	2.3
122.09777	2.1
123.06873	1.2
124.07718	1.1
129.07069	0.7
131.04909	2.7
132.05406	0.7
132.08122	1.1
134.06064	1.0
134.09828	1.4
135.06871	0.9
136.07593	10.6
137.06091	1.0
137.08467	1.5
138.09155	11.3
144.04544	0.7
145.05159	0.6
146.06125	1.4
147.06825	0.8
148.07555	2.4
149.08420	0.8
150.09142	4.1
151.03995	0.7
151.06284	4.7
151.10057	1.2
152.07169	0.8
152.10721	4.1
153.01906	1.0
160.03946	1.0
162.05576	1.0
162.09233	1.1
164.07140	1.1
164.10710	0.9
165.09189	0.5
166.08647	33.2
167.07185	1.4
168.10330	1.9
172.03940	2.9
174.09309	0.5
178.05174	0.5
178.08786	1.1
180.10156	2.9
181.10982	0.5
182.04591	0.7
182.11784	8.3
183.09294	0.8
186.09221	0.8
190.05074	2.4
194.08261	1.0
196.06189	0.8
196.09964	0.5
197.10941	1.8
198.11575	0.6
203.07143	0.5
203.08928	0.6
204.06612	3.5
207.09380	1.1
209.10887	1.5
210.09373	0.6
210.11507	0.7
211.08862	2.0
211.12340	0.6
213.10413	1.9
221.10825	0.5
222.07860	0.8
223.08894	1.3
225.10362	2.0
226.11130	1.2
227.08434	0.5
227.11983	1.4
228.12720	0.9
232.13353	0.5
233.09819	0.4
235.08897	2.0
236.07262	0.6
236.09592	1.9
237.10199	4.4
239.08337	1.6
239.11998	1.5
241.09918	0.8
248.09454	0.7
249.10283	4.2
250.11214	1.6
251.08243	2.6
251.11893	1.8
252.12656	0.7
253.09895	0.9
253.13582	0.6
255.11400	0.6
259.14474	2.4
263.08157	2.9
263.11917	1.0
264.09106	2.1
265.09744	7.2
266.10599	1.7
267.07645	3.4
267.11420	1.7
269.09970	0.6
269.12994	2.1
271.10754	0.6
277.09698	3.2
278.07333	0.5
278.10736	0.8
279.07831	1.2
279.11392	2.4
281.09476	1.3
281.13086	1.5
282.10083	0.5
283.10953	1.6
285.12463	0.8
287.05441	4.8
287.13919	12.1
288.05869	3.7
291.07764	2.3
291.10797	0.6
293.09335	4.3
293.12570	1.0
294.09903	0.5
295.10721	2.5
296.08365	0.8
296.11584	0.7
297.12564	1.5
307.10855	1.4
309.08780	6.8
309.12338	1.3
310.09564	0.7
311.10376	1.7
311.14078	1.5
313.12115	0.9
313.15497	4.6
319.07175	0.5
321.12637	0.6
323.10263	6.9
324.11047	0.9
325.12106	1.4
326.12878	1.2
327.13742	1.2
328.14444	0.8
337.08078	1.4
337.12070	1.3
338.12778	0.9
339.09882	0.8
339.13477	3.8
340.14575	0.6
341.11496	0.6
342.12332	0.6
342.16107	0.7
343.16846	0.7
346.15845	0.5
351.09753	1.1
354.12485	0.9
355.12988	1.1
356.14172	1.2
357.14624	1.9
370.15866	0.8
371.16089	15.3
372.17059	1.4
374.14816	1.2
383.12643	1.4
384.13281	0.6
385.14111	1.2
397.14258	0.7
398.14923	1.1
400.16656	3.1
402.14542	1.6
415.15399	1.5
416.16327	1.4
430.13580	0.9
430.18558	0.6
432.19333	1.1
435.10852	1.3
436.11118	4.5
440.16324	0.6
444.15323	1.1
446.16614	0.7
448.18524	0.9
450.20569	0.7
458.17267	1.4
459.18137	1.0
462.16656	0.6
474.20337	1.4
476.18054	1.1
486.16644	1.2
490.19855	3.4
493.17715	0.6
500.18384	3.3
518.19287	24.3
550.21881	100.0
551.22272	3.8
582.24481	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	581.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00309	3.1
53.03950	1.7
55.01883	5.9
55.05507	2.3
57.03444	13.4
59.05009	5.7
67.01868	1.9
67.05511	3.2
68.99780	1.4
69.03436	34.4
71.01367	5.9
71.05005	8.4
71.51173	1.2
73.02919	2.9
79.05481	4.3
81.03431	6.3
81.07057	2.3
81.07545	0.9
83.04987	7.0
85.02913	49.3
87.00816	1.7
87.04475	4.0
89.02396	2.6
91.04974	1.9
91.05492	21.1
93.07034	1.5
95.01331	3.6
95.04995	3.5
95.08624	2.3
96.99076	1.2
97.02905	28.9
99.00820	13.2
99.04465	16.9
101.02381	2.5
103.05486	7.1
105.03403	7.7
105.07053	2.1
107.04967	4.4
109.02879	4.5
109.10141	1.5
111.00793	1.1
111.04459	10.3
113.02380	100.0
115.03932	2.1
115.05492	2.3
117.01851	1.8
117.05438	1.5
117.07043	1.8
121.06519	2.2
123.00825	1.6
123.04433	2.3
125.02377	4.1
127.03931	55.1
128.06285	1.4
129.01846	2.6
129.05498	2.4
131.03430	4.6
131.04944	9.3
133.02890	1.7
135.04405	1.4
137.02377	2.1
139.03987	2.5
141.01839	10.4
143.04956	1.7
145.05011	5.7
147.04419	1.2
151.03928	1.7
153.01894	5.2
153.07048	1.4
155.03433	2.0
159.02904	3.9
165.01881	1.9
165.06989	2.6
166.07829	5.1
167.06979	2.0
169.06548	1.8
169.10176	1.1
171.02911	2.1
173.04474	1.5
173.05959	1.2
178.07854	2.3
179.03453	1.4
179.08571	2.3
181.10132	11.0
183.02901	1.2
190.07834	2.7
191.08583	4.5
193.05011	1.8
197.04436	1.5
202.07895	1.8
203.08591	6.1
204.09358	4.9
205.10158	21.8
207.08067	1.7
215.05472	1.7
215.08582	31.2
216.09093	1.3
217.10187	2.7
218.07359	1.9
219.08086	1.4
225.03886	1.4
228.09428	2.6
229.03496	3.0
229.10095	3.1
231.08150	3.0
233.09665	27.7
233.11679	1.2
240.09247	1.5
241.10057	2.2
241.19649	1.0
243.04987	3.2
243.08090	4.7
245.09659	2.1
247.07578	2.5
247.11234	1.8
249.09161	3.7
253.10106	2.5
257.02869	2.0
257.06659	2.4
257.09576	1.7
261.09177	12.7
269.09698	1.9
271.06351	16.1
271.11005	1.5
275.10675	2.8
279.10190	1.2
281.09647	3.7
283.11169	1.4
285.06287	1.8
287.05530	21.6
297.09119	1.4
299.10535	2.1
303.04877	2.0
305.11227	1.2
369.04596	3.3
401.07278	8.1
419.11243	8.6
435.10757	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	581.1505
Annotation	Kaempferol 3-vicianoside
Peak:m/z	Relative Intensity
53.03964	0.6
55.01847	0.9
57.03439	3.6
59.31676	0.5
59.41711	0.5
61.02924	0.8
68.99800	0.6
69.03433	9.8
69.90514	1.0
69.90915	1.7
71.04997	5.1
73.02924	1.8
75.04510	0.6
81.03413	1.2
83.05011	0.7
85.02908	14.2
87.04468	4.5
91.84595	0.5
97.02310	0.6
97.02898	8.6
101.08746	0.5
111.04434	0.8
115.03920	5.6
121.02906	2.7
123.04568	0.6
127.03893	1.7
129.05481	1.8
131.04950	0.7
133.02870	0.8
133.04987	5.2
137.02341	1.5
145.04965	1.2
147.04408	1.0
153.01855	4.3
165.01819	2.2
183.02863	1.1
183.20276	0.5
213.05394	1.4
229.04935	1.1
241.04973	1.1
257.01245	0.5
257.04199	0.6
258.05255	1.2
266.17764	0.6
287.05508	100.0
288.05780	2.9
289.06033	1.6
303.04996	17.3
315.05011	0.8
329.06760	1.4
345.06235	0.9
353.06757	0.9
369.05792	1.0
399.06970	1.5
435.09375	2.2
451.52402	0.6
484.00525	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1507
Annotation	Quercetin 3-xylosyl-(1->2)-rhamnoside
Peak:m/z	Relative Intensity
50.71593	0.2
55.01863	0.3
57.03442	1.1
61.02929	1.0
65.03927	0.3
67.05486	0.4
68.99789	0.5
69.03448	0.5
70.28211	0.7
71.05019	1.2
73.02509	0.4
73.02922	6.8
81.03413	0.4
85.02914	2.0
86.82327	0.2
91.05474	0.3
93.03389	0.3
95.04979	0.3
97.02876	0.4
105.03374	0.3
105.07005	0.2
107.04952	1.7
109.02898	0.3
109.10134	0.3
111.00826	0.7
115.03954	0.7
117.07003	0.3
121.02862	1.4
123.04434	0.4
127.03914	0.7
128.04222	0.3
129.05464	0.3
131.04910	0.3
137.02354	2.6
137.06001	0.3
139.03903	0.3
145.06497	0.5
147.04446	0.5
149.02306	0.4
149.06070	0.3
153.01842	2.6
161.06012	0.4
163.03931	0.8
165.01848	1.7
166.02635	0.3
167.07085	0.5
169.01306	1.0
173.05984	0.7
177.05453	0.4
177.46489	0.2
181.01306	0.3
183.02954	0.6
188.83142	0.2
193.07048	0.2
195.02882	0.4
201.05533	1.4
207.13638	0.2
210.07619	0.3
211.07925	0.3
213.05415	0.2
219.06505	0.3
229.04976	3.0
247.06061	0.7
257.04474	2.1
259.05914	0.3
274.04810	0.7
275.05463	0.4
285.03879	1.3
287.05585	1.1
303.05008	100.0
304.05392	1.2
315.04965	1.0
327.04865	0.4
345.05917	0.7
353.06317	0.3
369.06000	0.5
381.06232	0.3
399.07135	0.7
417.08267	0.6
431.12949	0.3
435.09253	1.3
449.10837	5.0
512.09521	0.3
553.20642	0.3
581.21014	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.4213
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	26.1
57.03438	14.0
63.83338	5.5
67.05508	52.2
69.07053	20.4
70.90839	14.7
79.05510	33.5
81.03419	46.7
81.07063	62.3
83.04998	15.9
83.08606	17.2
85.02917	15.0
91.05472	33.6
93.07047	40.8
95.04961	18.8
95.08624	42.2
97.06539	6.8
102.84882	5.5
105.07030	27.2
107.08586	22.7
109.10142	17.9
111.08087	6.5
113.45680	5.3
115.38592	5.4
119.08589	14.0
121.10155	18.6
124.91142	6.1
129.06996	9.2
131.08612	6.4
133.10098	10.5
145.10167	5.8
147.11710	13.6
149.09669	7.6
154.46890	5.4
157.10129	9.5
175.11253	11.2
193.12268	40.5
194.45645	5.3
211.13330	48.8
261.22302	14.0
263.03809	6.2
282.88797	5.9
285.16943	40.4
286.69843	5.8
294.45209	5.3
310.21762	5.5
335.25870	100.0
356.35724	7.9
419.49338	6.5
455.98410	6.6
545.38318	94.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.4212
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20018	6.3
53.03931	8.1
55.05505	21.5
57.03427	12.0
66.74100	6.9
67.05507	53.3
69.07062	15.8
69.94523	5.9
69.96336	26.4
69.96747	11.0
76.35081	8.3
79.05499	51.8
81.03422	41.1
81.07055	58.1
83.04953	11.7
83.08614	9.1
85.02915	15.7
85.06493	10.2
91.05489	55.4
93.07062	49.0
95.04963	22.9
95.08599	43.1
100.89502	6.3
105.07032	30.3
107.08572	25.1
109.06519	8.5
109.10194	15.0
119.08591	24.5
121.10143	21.2
129.06996	11.4
131.08548	26.7
133.10155	12.9
135.11743	9.3
145.10104	8.3
147.11705	16.7
157.10155	14.8
164.70349	7.2
175.11121	9.6
193.12233	41.3
211.13316	59.5
231.56671	6.6
261.22131	7.3
267.15958	16.4
285.17010	42.1
287.48166	7.8
331.63345	7.0
335.25842	100.0
427.88708	6.6
545.38513	54.4
553.10413	8.1
586.46930	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	580.4207
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	4.8
55.01876	5.6
55.05518	33.6
57.03436	15.1
57.07079	6.2
64.41145	4.1
67.05511	65.9
67.98707	5.2
69.03426	5.2
69.07088	26.4
71.51692	6.3
79.05492	38.3
81.03419	6.8
81.07063	62.5
83.04975	4.6
83.08628	18.5
83.47189	4.6
89.14798	4.5
91.05486	18.5
93.07053	35.0
95.04976	13.8
95.08612	51.6
97.06561	7.0
97.10184	7.4
105.07049	17.0
107.05013	4.6
107.08616	35.9
109.06532	5.7
109.10152	16.6
117.07019	10.0
119.08602	20.2
121.10166	13.7
131.08562	4.6
133.10146	10.7
135.11731	26.1
145.10161	16.7
159.11810	5.3
161.13260	6.8
163.11217	36.7
179.98708	4.2
227.12816	60.2
283.15411	29.4
285.16980	17.0
335.25885	19.6
337.27383	100.0
545.38348	61.6
580.39832	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	580.421
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.7
55.05512	12.5
55.81837	4.2
57.03426	10.1
67.05514	60.6
69.07092	20.9
69.82307	4.8
69.82628	20.8
71.04985	5.6
77.02008	3.9
79.05508	36.9
81.07066	95.8
83.04973	4.1
83.08624	8.9
85.06539	9.7
91.05482	29.2
93.07057	33.5
95.08627	41.5
97.06527	5.3
97.10168	4.0
105.07034	31.4
107.08609	18.2
109.10179	16.5
119.08595	21.8
121.10156	26.2
123.11735	18.6
131.08591	8.5
133.10181	4.5
135.11658	6.9
145.12938	4.4
147.11697	47.6
149.13272	6.3
165.12764	19.8
229.14441	7.5
261.22202	8.3
267.15948	50.0
285.17047	42.9
316.70749	3.8
327.50311	3.9
335.25851	100.0
336.25903	4.3
545.38397	28.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.334
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	2.3
55.01887	2.2
55.05519	4.6
56.05035	5.0
57.03451	3.4
58.02971	0.8
60.04535	100.0
61.02933	1.7
67.05512	10.1
68.05062	1.0
68.99799	1.3
69.03440	13.0
69.07071	3.9
69.47073	5.1
70.06606	1.4
71.05011	1.9
72.04529	4.1
73.02930	2.1
74.06084	4.6
74.25453	0.6
79.05497	7.1
80.05029	2.1
81.03430	12.3
81.07075	11.3
82.06605	2.2
83.04999	1.3
83.08633	2.6
84.04530	1.9
84.08173	0.8
85.02918	18.6
86.06076	3.2
87.00835	5.6
90.05567	1.3
91.05492	5.0
93.07051	5.3
94.06588	2.4
95.04995	1.2
95.08613	10.0
96.08160	1.0
97.02895	5.1
97.06561	1.3
97.10203	1.1
98.06091	1.0
98.21556	1.3
99.04481	4.3
99.77132	0.6
102.05571	2.5
103.03973	1.1
103.05497	0.8
104.07135	2.8
105.01905	2.3
105.07053	3.4
107.08621	3.4
108.08157	0.8
109.02896	11.2
109.10168	4.4
111.04489	0.8
111.08119	0.8
117.01869	1.0
117.07051	1.3
119.08606	2.1
121.06520	1.1
121.10162	3.1
123.11758	2.2
127.03940	11.8
129.01903	2.2
131.08646	1.6
133.10135	1.6
135.08115	0.9
135.11763	1.9
137.13341	0.7
145.05002	2.7
147.02905	1.2
147.11723	1.0
149.13263	1.2
159.02922	3.4
159.11742	1.0
163.14815	0.7
167.07115	0.8
173.13266	0.9
184.65857	0.6
187.06116	0.9
231.05060	1.4
239.92545	0.7
248.23840	1.7
254.24875	1.8
260.23865	2.0
260.90588	0.8
261.22183	0.8
274.09235	0.8
278.24890	7.1
287.05621	2.0
288.05914	1.3
296.25842	9.9
310.11407	2.6
314.26953	21.9
332.27994	80.0
333.28308	1.9
356.28073	1.6
365.23276	0.9
374.29150	5.3
435.10748	0.9
494.33228	1.8
518.33533	1.5
526.30377	1.3
530.77197	0.7
536.34369	6.9
544.31744	1.1
562.31982	4.9
580.33368	73.2
581.33820	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2605
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98542	1.0
59.03757	0.8
67.05479	1.2
70.82848	0.9
71.52482	1.3
81.07049	1.4
98.21152	1.2
189.97104	1.0
195.64342	1.2
220.72221	0.9
221.10878	0.9
280.02274	0.9
315.14597	1.0
331.13724	1.0
344.47409	1.1
363.16132	2.0
377.17642	2.4
378.18472	1.6
379.19226	2.9
388.54129	0.9
390.18314	2.4
391.19278	1.8
393.20816	3.4
404.19870	1.7
405.16699	1.5
405.21228	2.2
406.17816	2.7
407.22638	1.9
419.18280	1.2
419.22873	2.0
421.20007	7.9
431.18335	1.3
433.16589	3.4
435.17291	6.8
435.22977	1.9
436.22614	16.3
437.23145	2.2
447.21808	4.3
448.19086	3.5
449.19247	11.2
450.24323	2.2
459.21793	1.4
460.22427	1.5
463.21231	11.8
464.21814	2.3
475.21088	13.5
477.22812	5.7
491.24448	3.8
492.21548	19.5
494.23193	1.5
503.24277	2.7
507.27396	1.9
519.24072	3.0
523.27136	14.7
533.25305	1.6
535.27118	2.8
551.26544	28.8
552.26196	1.0
561.25208	1.7
579.25989	100.0
580.26300	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	579.1715
Annotation	Kaempferol 3-O-alpha-L-rhamnopyranosyl-(1->2)-alpha-L-rhamnopyranoside
Peak:m/z	Relative Intensity
53.03957	2.1
55.01880	2.5
55.05500	3.2
55.45152	1.6
57.03434	5.6
67.05502	3.2
69.03413	5.8
70.06610	8.1
70.80695	5.0
71.05001	36.1
73.02904	2.6
75.04502	3.9
79.05492	2.1
81.03426	2.6
81.07059	4.6
83.04980	8.0
84.08150	13.1
85.02912	43.5
86.09692	2.1
87.04458	1.7
91.05474	3.6
93.07062	5.5
95.04955	2.7
95.08623	3.9
97.02899	4.0
99.04438	2.3
103.05481	8.7
105.03445	2.0
105.07024	4.0
107.04955	2.0
107.08624	2.7
109.02973	2.6
109.06503	2.0
109.10153	3.4
110.01912	1.7
111.04441	7.7
117.07030	2.7
119.08541	2.4
121.02895	7.2
121.06520	2.6
121.10138	2.6
123.04429	5.5
127.03923	8.9
129.05492	14.2
131.04939	17.7
131.08517	1.9
133.10175	2.2
135.04434	2.1
135.11755	1.9
137.09563	1.6
139.03940	4.7
145.06485	4.0
145.10127	2.7
147.04378	3.2
147.06511	2.2
149.05904	1.9
151.03957	2.8
151.07599	2.2
153.01799	2.9
157.06404	2.3
161.05956	2.2
163.03952	4.3
167.07040	26.6
171.06581	1.8
173.06018	5.1
177.05476	3.0
181.04968	7.2
191.07062	3.4
208.21387	1.7
213.05435	2.4
223.80270	1.9
241.05141	1.8
271.06088	2.4
272.79428	1.5
280.15097	1.9
287.05527	100.0
299.05411	5.2
300.13763	1.9
317.18219	1.8
325.06885	1.9
329.06467	11.0
337.06912	2.2
345.43436	1.9
353.06570	5.7
361.28928	1.9
379.07913	4.5
387.14349	4.6
397.08969	9.5
399.32108	2.4
415.10117	4.4
417.15341	2.3
433.11105	7.3
547.19336	4.1
579.21454	11.5
579.29346	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	579.1711
Annotation	Kaempferol-3,7-O-di-rhamnopyranoside
Peak:m/z	Relative Intensity
52.39549	0.3
56.12498	0.4
57.03437	2.1
70.39647	1.2
71.05000	14.7
75.04467	0.5
79.96302	0.4
85.02911	15.1
87.04446	0.4
107.04982	0.5
111.00861	0.4
111.04487	0.5
121.02878	0.8
127.77036	0.4
129.05481	3.7
145.06526	0.5
147.04459	0.5
147.06508	0.5
153.01804	2.3
157.06544	0.5
165.01851	1.0
167.07031	1.3
183.02907	0.8
185.05945	0.5
213.05411	0.9
231.06496	0.4
241.04968	0.7
258.05212	0.6
287.05521	100.0
288.05853	0.8
329.06628	0.4
350.10037	0.4
359.11871	0.4
433.11386	7.3
579.20496	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1714
Annotation	Kaempferol-3-Rhamnoside-7-Rhamnoside
Peak:m/z	Relative Intensity
53.06019	0.2
57.03404	0.5
60.04507	0.3
67.01833	0.2
68.99789	0.2
69.03420	0.3
70.80503	0.5
71.04999	1.8
73.02917	0.2
75.04460	0.2
78.04651	0.2
79.05482	0.3
81.07039	0.3
85.02920	1.8
91.05467	0.3
92.24094	0.2
93.03408	0.2
95.08585	0.2
103.05380	0.2
105.07005	0.2
107.08544	0.2
110.84529	0.2
111.04442	0.2
117.06967	0.2
119.04929	0.9
121.02850	0.6
123.04421	0.5
127.03917	0.5
129.05455	0.4
131.04878	0.2
133.98695	0.2
137.05971	0.3
139.03838	0.2
145.02815	0.4
145.06485	0.3
145.10152	0.2
147.04396	0.3
148.07516	0.2
153.01845	3.1
155.06024	0.2
161.77466	0.2
163.03880	0.3
165.01801	0.2
167.07054	3.6
173.05962	0.7
181.04926	1.1
189.61484	0.2
191.07033	0.2
193.08629	0.1
225.05479	0.2
227.23500	0.2
233.08058	0.2
243.06367	0.3
271.06027	100.0
272.06317	1.1
287.05527	11.9
288.05875	0.6
289.05978	0.5
387.14420	0.4
395.13031	0.2
417.15875	0.4
433.11353	22.1
434.11792	0.3
473.64081	0.2
519.33099	0.2
579.20880	1.3
579.32916	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	579.1717
Annotation	Kaempferol-3-Rhamnoside-7-Rhamnoside
Peak:m/z	Relative Intensity
50.59507	0.2
51.95958	0.2
53.26241	0.2
54.36392	0.2
55.01857	0.3
55.05503	0.3
57.03444	1.9
58.06915	0.2
61.02909	0.2
63.42912	0.2
63.68779	0.2
67.05491	0.4
68.91823	0.2
68.99792	0.6
69.03420	0.9
69.37368	1.1
69.37805	0.8
70.97990	0.2
71.05001	6.8
72.08147	0.4
73.02909	0.7
75.04487	2.0
81.03398	0.3
81.07053	0.4
83.05004	0.3
85.02911	8.6
86.09698	0.2
87.04461	0.4
91.05463	0.4
93.07079	0.2
99.04489	0.2
105.03384	0.2
105.07005	0.2
107.04958	0.5
108.07740	0.2
109.02899	0.4
111.00803	0.6
111.04451	0.4
115.05428	0.3
117.07100	0.2
120.08157	0.2
121.02879	2.6
121.06516	0.2
123.04427	1.5
127.03922	1.9
129.05510	1.6
131.04988	0.3
133.02859	0.4
135.04410	0.4
135.07933	0.2
137.02351	0.8
137.05931	0.5
139.03865	0.9
140.65294	0.2
145.06499	0.6
147.04424	1.2
147.06572	0.2
153.01834	3.1
153.05551	0.2
157.06491	0.3
161.06020	0.4
163.03952	0.6
165.01817	1.8
167.07050	4.6
173.06023	1.0
175.07562	0.2
181.05016	1.6
183.02881	0.9
185.05975	0.5
189.05389	0.3
191.03488	0.3
201.05449	0.3
203.03395	0.4
213.05408	1.4
229.04939	0.3
231.06572	0.7
235.09645	0.4
241.05045	0.9
247.06000	0.2
257.04272	0.3
258.05255	1.3
259.06012	0.5
271.06024	0.5
275.05484	0.4
286.04889	0.4
287.05521	100.0
288.05856	1.8
289.06140	0.8
299.05450	0.7
329.06552	0.6
370.72699	0.2
373.05487	0.4
381.27344	0.2
387.14401	0.9
397.09174	0.4
417.15475	0.4
433.11365	4.8
579.20978	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1498
Annotation	Robinetidinol(4alpha-6)catechin
Peak:m/z	Relative Intensity
51.02374	0.6
53.03947	1.0
54.80775	0.4
55.01871	2.5
56.96567	5.3
57.03434	1.3
59.04980	0.5
61.02935	0.7
65.03935	1.2
67.01867	0.9
67.05505	0.7
68.99790	5.4
69.03439	2.0
69.50147	0.9
69.50559	1.7
71.01354	1.2
71.04987	1.0
72.08133	0.5
72.83546	0.4
73.02927	0.5
75.93823	0.4
77.03941	0.5
79.05491	1.2
81.03427	3.9
83.04977	1.0
84.96052	3.4
84.96503	0.7
85.02909	6.4
87.04513	0.9
89.03937	0.9
91.05490	1.0
93.03397	0.8
95.04980	1.5
95.65793	0.3
97.02901	3.0
98.97592	24.5
99.04477	2.1
100.99154	0.6
101.00888	1.9
103.05502	0.8
105.03397	0.4
105.07032	0.7
107.04967	3.9
109.02899	3.5
110.10563	0.5
110.97576	5.2
111.00825	1.7
111.04451	3.5
112.99117	1.8
113.00867	0.9
113.02430	0.5
115.02460	0.6
115.03960	0.7
115.05464	0.4
116.98637	6.0
117.03392	1.0
117.07025	0.4
119.01949	2.4
119.04952	1.7
121.01692	0.6
121.02926	2.0
121.06534	0.6
123.04443	41.0
124.99155	1.2
127.03928	100.0
128.04274	0.9
128.98628	4.5
129.04025	0.5
129.07027	0.9
131.00183	1.7
131.01915	1.6
131.04927	2.3
133.03529	0.8
134.99673	1.7
135.04430	31.6
137.02434	3.1
137.05960	1.8
138.97070	0.5
139.03917	49.1
140.98668	0.7
141.07011	1.1
143.00185	2.8
143.01918	1.6
143.04910	0.6
144.98039	0.6
145.01700	1.1
145.03539	0.9
145.04997	1.0
145.06497	1.1
146.99673	1.6
147.04314	5.9
149.01219	1.3
149.02377	5.3
149.05968	2.0
151.03909	9.4
152.20961	0.4
152.98608	0.5
153.07047	0.6
155.00272	0.8
155.01904	1.4
155.04893	0.9
156.98148	1.6
157.03540	3.0
157.06541	0.8
158.99669	4.7
159.03206	0.6
159.04370	3.1
160.11804	0.4
161.01212	4.8
161.02950	0.7
161.05980	3.7
163.03918	35.1
164.04424	0.4
165.01979	0.5
165.04140	0.6
165.05464	4.5
167.02222	0.4
167.03433	8.9
167.07100	1.1
168.98068	0.6
169.03455	0.8
169.05075	0.6
169.06467	2.0
170.99666	2.5
171.03279	0.4
171.04985	0.9
173.01207	2.1
173.02933	1.1
173.05991	2.7
174.97806	0.4
174.99098	1.9
175.03867	3.5
176.97345	0.4
177.00748	1.6
177.04195	0.8
177.05513	4.4
179.02116	4.6
179.03722	2.6
179.07069	0.6
181.05048	0.8
181.06528	0.7
182.99641	0.9
183.04797	0.8
184.97511	0.6
185.01137	0.5
185.02969	0.5
185.06018	1.2
186.99197	1.0
187.03883	5.8
187.07516	0.6
189.00758	2.0
189.02213	0.5
189.05898	2.7
191.03476	11.8
192.04710	1.4
193.00240	0.5
193.03615	0.4
193.05048	3.2
196.97534	0.6
197.03349	2.9
197.05991	3.1
199.04248	0.6
200.04533	0.6
201.00873	2.0
201.02473	0.4
201.05545	6.4
202.98573	0.5
203.03442	8.6
203.07089	2.3
205.00185	0.5
205.05020	2.8
207.06664	1.0
209.03285	0.8
209.06021	0.5
211.04272	0.4
213.05611	1.6
214.98642	0.9
215.03561	1.2
215.07089	2.7
216.04385	0.4
216.98611	0.4
217.05008	1.5
219.01775	5.1
219.06589	0.5
221.01457	0.8
221.03357	4.1
221.05165	1.4
223.06645	2.3
224.06929	0.4
225.00941	0.4
225.05600	1.9
229.05025	7.1
230.05544	0.5
231.06711	2.4
232.99771	0.9
233.04536	6.2
237.00789	0.5
237.02826	2.5
237.05199	0.8
239.04391	13.3
241.05013	1.6
242.03287	0.4
243.06595	4.9
245.04527	7.3
247.06059	16.9
248.06564	0.5
251.05699	1.3
253.01361	0.4
253.05014	1.3
255.04295	0.4
255.06662	1.6
257.04465	10.6
258.05157	0.8
259.06042	9.7
261.02930	1.4
261.07776	0.4
261.19659	0.4
265.08029	0.8
267.03970	0.7
269.04556	3.1
271.06042	17.6
272.06567	0.6
273.07877	1.4
275.05536	18.8
276.06274	0.4
279.03799	0.5
281.05450	8.6
283.06058	6.2
285.07504	0.5
287.05530	24.7
289.02307	0.5
289.07089	11.5
291.04254	0.6
291.08929	12.0
293.05444	3.4
299.05499	4.1
301.07098	11.7
303.08600	2.7
308.55063	0.4
309.05081	0.8
309.08679	1.4
311.05704	0.8
313.99817	0.5
321.04959	0.6
329.06744	0.5
333.04816	0.6
337.04376	1.2
337.08340	1.5
345.01190	2.5
367.10654	0.8
369.10703	1.3
379.08398	0.8
383.08652	2.9
387.11905	0.6
391.08371	0.5
397.06140	2.8
409.09210	24.0
410.09543	0.7
411.10559	3.0
417.12582	0.6
419.07697	0.6
421.09198	0.9
423.08020	1.1
427.10257	5.3
435.10736	1.1
439.10349	0.8
501.57550	0.4
509.08224	1.9
554.37305	0.4
579.12469	2.8
579.20819	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1502
Annotation	Procyanidin B3
Peak:m/z	Relative Intensity
50.46856	0.5
53.03939	0.9
55.01881	1.3
55.65673	0.5
55.97944	0.5
57.60788	0.5
65.03948	0.9
67.05509	1.0
68.99791	3.9
70.84624	1.7
81.03429	3.5
89.03925	1.5
93.03399	0.7
94.74540	0.6
95.04961	1.1
99.04459	1.5
103.05469	1.0
107.04967	3.6
109.02879	3.5
111.00822	1.7
111.04450	2.2
115.55533	0.6
119.04958	1.9
121.02885	1.8
123.03746	0.5
123.04442	34.4
127.03932	100.0
129.07037	0.7
131.04901	1.8
133.06476	0.6
135.04427	27.2
137.02338	2.0
139.03920	39.8
140.74725	0.6
141.07043	0.8
143.04971	1.0
145.06493	0.9
147.04410	5.2
149.02368	3.2
149.05986	1.4
151.03923	7.8
153.01816	0.7
157.06570	1.2
159.04451	3.6
159.80531	0.6
161.02405	0.6
161.05992	2.3
163.03925	31.0
165.05525	5.6
167.03429	7.0
169.06509	2.1
173.06015	2.0
175.03934	3.4
177.05504	3.3
179.03441	2.4
181.05080	0.7
181.06531	0.6
185.06020	1.0
187.03891	6.7
187.05276	0.8
189.05492	2.1
191.03406	10.0
193.05020	2.6
197.05977	3.1
199.13268	0.6
201.05469	4.7
203.03412	6.8
203.07098	1.4
205.05019	2.5
207.06517	1.2
213.05539	1.2
215.03465	1.6
215.07082	2.5
217.04968	1.0
225.05582	1.0
229.05025	6.6
231.06439	0.7
233.04495	4.9
241.05087	1.4
243.06578	4.8
245.04510	5.4
247.06042	10.6
251.05551	1.1
253.05203	0.7
255.06616	1.7
257.04474	7.7
259.06033	7.6
269.04514	1.3
271.03094	0.9
271.06061	17.8
272.06369	0.7
273.07590	1.0
275.05515	16.2
283.06049	6.3
287.05554	20.5
289.07123	11.0
291.08682	11.5
299.05469	3.4
301.07095	11.8
303.08673	1.9
313.06662	0.6
376.06696	0.6
381.10385	0.6
391.08157	0.6
409.09232	18.8
411.10706	2.2
421.08871	0.8
427.10501	4.0
439.10159	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1504
Annotation	Procyanidin B3
Peak:m/z	Relative Intensity
51.02380	0.8
55.01889	1.9
58.07436	0.7
67.01853	1.1
68.30926	0.8
68.99799	4.9
69.03424	1.2
70.11217	0.9
70.68527	1.4
70.68872	1.9
77.03912	0.9
79.05521	0.7
81.03426	3.7
81.28007	0.7
83.01836	0.8
85.02903	1.5
89.03920	1.1
93.03379	1.0
95.04964	2.8
103.05503	0.9
107.04970	4.4
109.02885	3.7
111.00821	2.8
111.04445	3.4
115.37382	0.7
119.04930	2.2
121.02837	1.7
123.03743	0.9
123.04432	56.0
127.03925	100.0
128.04291	0.8
131.04926	3.0
135.04419	33.8
137.02327	3.3
137.05942	1.6
139.03909	63.8
141.06981	1.1
143.04947	1.2
147.04419	9.4
149.02362	4.8
149.06013	1.4
151.03920	9.4
159.04408	2.6
161.05969	3.7
163.03922	37.7
165.05493	8.4
167.03403	8.3
169.06459	2.0
173.06001	3.4
175.03905	2.9
177.05524	4.3
179.03429	3.9
179.06963	1.0
181.05052	1.0
185.06026	1.3
187.03868	6.6
189.05467	2.8
191.03404	14.2
193.04959	2.9
197.05923	2.9
201.05463	7.3
203.03416	10.4
203.07077	2.6
205.05022	2.6
207.06551	1.5
213.05473	2.4
215.03476	1.3
215.07022	4.0
217.04982	2.0
225.05542	1.3
229.04965	10.1
231.06476	2.3
233.04468	6.3
241.05022	1.4
243.06570	4.9
245.04460	7.0
247.06050	17.9
253.05013	1.9
255.06464	1.4
257.04434	13.1
259.06067	9.5
261.03836	0.9
261.07758	1.4
269.04486	2.9
271.06024	19.7
273.07590	1.9
275.05499	19.1
283.06012	7.1
285.07474	1.0
287.02295	1.2
287.05490	24.1
289.07074	15.3
291.05704	1.5
291.08685	16.4
299.05579	4.5
301.07083	14.3
303.08698	2.2
325.60306	1.1
391.08240	1.8
409.09174	22.6
411.10352	2.0
421.09262	2.6
427.10208	6.4
439.10352	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1238
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96569	11.9
57.38669	0.7
61.65253	0.6
68.99807	0.7
69.03441	1.2
69.59549	3.3
77.48804	0.6
81.03415	0.7
84.96046	8.2
85.02918	1.9
89.84007	0.5
97.02927	1.2
97.79097	0.6
98.97594	100.0
102.97060	0.8
107.05051	0.7
109.02899	1.2
110.97583	17.5
112.99151	2.1
116.98637	19.3
123.04456	6.2
124.99162	0.7
126.97078	1.7
127.00702	2.0
127.03928	13.6
128.98616	8.6
129.02275	1.0
131.00174	1.0
134.99680	2.1
135.04437	4.0
138.97067	1.4
139.03923	7.2
140.00226	0.7
140.98611	1.4
143.00174	3.2
143.01945	1.2
144.98111	2.4
145.01733	2.0
146.99677	1.6
147.03308	3.8
147.04382	1.2
148.86256	0.6
149.02373	0.8
151.03906	1.9
152.98627	1.6
155.01968	0.8
156.98125	2.4
158.99672	47.6
161.01259	1.4
163.03908	5.2
165.04343	1.3
167.03442	0.9
168.98129	1.2
169.06679	0.6
170.99698	4.0
171.03302	6.3
174.99142	1.8
175.02765	0.9
175.04161	0.8
177.00740	16.4
177.05527	1.0
184.97635	0.8
185.06477	0.7
186.99196	1.7
189.00694	1.7
189.04335	9.3
189.05814	0.9
191.03467	1.9
193.03703	0.8
201.00793	3.4
201.04298	0.9
203.03452	1.4
207.05435	1.1
214.98618	1.0
219.01781	17.7
223.05458	0.7
225.02435	0.8
229.05026	1.3
231.05370	3.8
233.04524	1.1
237.02846	12.4
243.06602	0.6
245.04541	0.7
247.06079	2.8
249.06644	0.7
257.04492	1.7
259.06110	1.4
269.04288	0.7
271.06052	1.8
275.05594	2.2
283.06079	1.1
287.05524	3.6
289.07077	1.4
291.07507	23.2
301.06918	1.4
309.08591	58.0
310.09000	0.7
319.07016	2.7
327.05212	22.9
337.08078	12.6
345.01364	1.3
345.06143	1.0
351.09683	2.5
377.07730	0.9
379.09048	1.7
391.09109	2.2
403.09232	9.5
407.08905	1.0
409.09174	3.0
411.11099	0.8
419.08621	3.1
421.10138	1.2
431.08682	0.7
439.11215	1.0
543.19757	3.0
579.12286	17.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.4105
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	8.1
55.01868	5.5
55.05515	33.9
57.03434	13.2
57.07072	4.5
59.05009	4.9
65.03932	4.9
67.05511	93.9
69.03448	5.5
69.07079	28.3
69.82681	13.3
71.04996	17.9
77.43492	2.8
79.05072	4.2
79.05501	57.2
81.03426	20.7
81.06590	6.3
81.07064	100.0
83.04985	10.4
83.08631	20.8
85.06542	11.3
91.05486	60.4
93.07051	65.5
94.58156	3.0
95.04967	9.8
95.08614	61.4
97.06542	9.9
97.10169	19.7
99.08127	6.5
105.07040	52.7
107.04963	5.3
107.08611	41.4
109.06548	8.1
109.10167	33.8
111.08093	7.0
115.05470	4.5
117.07039	21.5
119.08602	48.6
121.06496	6.7
121.10149	29.6
123.08059	4.7
123.11714	11.3
125.09646	13.6
129.06993	15.2
131.08575	36.4
131.22169	3.5
133.10130	31.3
135.08028	6.0
135.11710	19.1
139.11195	5.5
141.07028	5.8
141.54047	2.9
143.08626	15.0
145.10129	27.7
147.11699	21.0
149.02365	5.2
149.09612	8.7
149.13251	10.3
155.08557	7.3
157.10135	15.8
159.11697	26.5
161.09636	4.0
161.13274	11.3
163.11197	4.1
163.14813	3.6
169.10112	6.8
171.11699	12.1
173.13281	11.3
175.14755	5.7
177.12727	3.8
181.10089	5.6
183.11707	8.8
185.13231	7.8
187.14845	9.7
189.11281	6.9
193.12262	6.0
199.14946	6.3
204.11871	3.4
211.14879	5.0
215.17946	3.4
227.12839	17.6
239.16245	5.6
241.19435	5.4
247.16862	3.8
261.22162	11.1
267.15884	24.2
276.41342	3.4
285.22064	7.0
289.21692	7.6
299.06229	3.3
301.25262	12.0
303.23157	5.9
314.27701	4.2
335.25937	15.8
343.22931	3.5
363.25284	6.1
435.32672	16.7
453.33774	17.1
471.34793	9.0
473.33459	3.6
475.30533	3.8
509.36063	7.0
519.36243	2.9
527.37463	54.6
545.38434	54.5
559.39771	11.4
577.41925	15.0
577.49561	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1557
Annotation	Maysin
Peak:m/z	Relative Intensity
50.92758	0.3
54.28101	0.3
57.18607	0.3
61.02916	0.5
68.99772	1.2
69.03419	0.6
70.06599	0.4
71.01324	0.4
71.04974	0.5
71.50916	0.6
73.02923	2.2
74.10131	0.3
79.05470	0.3
81.03416	0.4
81.07063	0.5
84.08134	0.3
85.02888	1.3
85.06501	0.4
87.04434	0.4
87.06238	0.3
91.05466	0.4
93.07046	0.6
103.05476	0.8
107.04945	0.7
107.08573	0.5
111.00792	1.0
115.05420	0.3
121.02848	0.9
123.04411	1.0
127.03922	0.7
131.04968	2.3
131.08551	0.5
133.06456	0.7
135.04416	1.1
137.02400	0.8
137.05878	0.4
139.03897	0.4
145.06438	0.5
147.04417	0.8
149.02344	0.3
153.01840	3.7
157.06500	0.3
157.20345	0.3
159.04414	1.1
163.03859	0.9
165.01837	0.5
167.14365	0.3
169.06439	0.6
171.04381	0.4
173.02357	0.9
173.05928	0.4
175.07520	0.3
183.02971	0.3
185.05978	0.4
187.03934	4.0
187.07516	0.4
191.03310	0.7
197.05925	0.8
200.04582	0.4
201.05496	0.7
209.05920	0.6
213.05463	0.9
215.03355	1.0
215.07033	0.5
225.05458	0.6
229.04956	0.5
230.32909	0.3
231.06589	0.4
239.03349	0.6
241.04924	0.8
243.06569	0.8
245.04370	0.6
247.06047	0.4
250.24231	0.4
253.04892	2.3
257.04562	0.7
258.05255	0.4
269.04510	1.4
269.41986	0.4
270.05136	1.7
271.06033	0.9
277.05081	0.8
281.04474	6.8
282.05057	0.5
287.05518	46.3
288.05917	0.5
295.06039	4.7
297.03922	6.0
298.04694	1.0
299.05548	0.8
306.05197	0.6
311.05417	0.4
313.03378	1.0
323.05505	2.8
327.05008	100.0
328.05380	1.0
339.08673	0.4
341.06485	0.8
351.04999	5.0
353.06497	0.7
369.06033	5.6
377.06607	0.7
383.11060	0.3
395.07642	1.0
413.08896	2.8
415.13940	0.5
431.09775	35.9
432.10074	0.8
433.11215	1.3
473.11017	1.6
519.28650	0.3
577.15277	2.9
577.31299	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
56.16629	0.2
57.03407	0.2
60.02211	0.2
63.06712	0.2
63.07716	0.2
63.15603	0.2
68.99786	0.4
70.68229	0.5
71.04995	0.4
73.02917	4.7
84.08112	0.2
85.02895	0.7
86.01195	0.2
87.04478	0.3
93.07076	0.2
98.18484	0.2
98.39114	0.2
99.04424	0.4
103.05472	0.7
105.03376	0.3
107.04948	0.2
111.00787	0.5
117.05408	0.2
121.02866	2.0
121.10107	0.2
123.00816	0.2
127.03860	0.3
131.04919	0.9
133.02864	0.2
135.04439	0.3
137.02330	0.6
145.06575	0.3
147.04414	0.4
153.01837	2.5
157.06552	0.3
165.01837	1.6
167.07114	0.3
171.04433	0.3
183.02898	0.5
185.05933	0.4
198.31610	0.2
199.96797	0.2
203.07074	0.2
213.05493	1.0
231.06436	0.6
241.05000	0.6
258.05270	0.9
259.06192	0.4
269.04385	0.3
286.04758	0.4
287.05508	100.0
288.05896	1.5
299.05466	0.3
325.07083	0.3
325.31143	0.2
413.08130	0.2
431.09537	1.3
433.11340	3.7
506.28506	0.2
527.91864	0.2
577.20569	0.8
577.30420	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.5045
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.9
53.70620	1.4
55.05517	18.0
57.07085	34.6
57.88879	1.6
65.03945	3.6
67.05515	65.6
68.96512	1.4
69.07079	21.1
69.24006	1.3
70.78159	1.5
71.08643	26.4
71.52434	2.4
79.05507	20.3
79.68684	1.5
81.07069	68.9
83.05016	2.2
83.08634	17.5
83.73345	1.4
85.06566	2.9
85.10190	14.3
87.04485	5.8
91.05476	12.7
93.07059	20.0
95.08620	62.6
97.06521	3.3
97.10177	11.1
99.08077	2.2
105.07059	6.8
107.08611	9.0
109.06565	1.9
109.10181	26.2
111.08059	2.0
111.11742	3.0
119.08591	5.2
121.10155	9.3
123.11738	11.6
125.69148	1.7
127.84914	1.4
133.10144	5.2
135.11697	8.2
136.55069	1.7
137.13300	6.1
147.11752	3.2
149.13318	5.2
151.14812	4.2
159.11771	1.8
161.13324	2.8
163.14883	2.7
175.14838	2.3
239.23752	6.4
245.22649	2.0
256.62192	1.6
263.23755	9.3
313.27386	2.4
339.28317	1.5
366.99539	1.5
539.43329	1.5
575.42780	7.6
575.50470	100.0
576.51080	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	575.6127
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.1
55.05516	33.2
57.03440	1.8
57.07079	71.9
65.03947	2.7
67.05508	59.2
68.05841	1.3
69.07072	69.4
69.70176	6.6
71.04993	3.5
71.08237	2.6
71.08633	53.1
79.05501	12.9
81.07059	88.0
81.69764	1.3
82.07376	2.5
83.08626	55.4
85.06535	2.2
85.10186	30.2
86.06381	1.4
87.04459	4.6
91.05469	5.5
93.07056	11.1
95.08611	100.0
97.09553	2.4
97.10179	46.8
98.20744	1.9
99.11729	4.5
105.07024	3.8
107.08598	4.3
107.98137	1.1
109.10162	60.3
111.11726	35.1
113.13296	2.4
117.06972	1.3
119.08556	3.3
121.10146	5.4
123.11720	28.6
125.13276	12.7
127.14837	2.4
133.10094	3.1
135.11693	4.2
137.13286	11.4
139.14813	4.9
141.16423	1.7
149.13312	1.6
151.14844	8.0
153.16426	1.6
155.17949	1.4
161.13338	1.3
165.16402	7.8
176.89247	1.2
179.17920	3.5
188.49834	1.1
193.19565	2.1
206.09462	1.2
221.22495	2.0
239.23666	3.1
257.17462	1.5
263.23605	1.4
272.10574	1.4
276.74210	1.2
277.29184	1.3
291.30426	1.5
305.32007	2.4
314.27728	2.5
319.33331	1.5
361.38141	2.9
393.60922	1.4
481.38864	2.2
482.39282	11.7
540.43604	6.2
557.60376	11.5
575.41730	6.3
575.50073	24.8
575.60968	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	576.2808
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16079	28.2
55.05509	48.8
57.07076	55.2
62.06099	64.5
62.57848	26.6
67.05515	100.0
67.60109	27.7
79.05501	46.5
81.07063	98.3
93.07057	46.0
95.08595	91.4
97.71853	29.8
105.01905	27.0
109.10210	36.4
123.18198	26.6
149.02336	42.9
200.80502	27.0
229.12312	32.3
236.75539	27.7
445.81442	35.8
575.50287	48.1
576.50763	78.4
577.13580	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	574.3259
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80433	1.8
53.03946	2.2
55.05510	9.2
57.03429	4.5
57.06793	3.1
57.07077	52.2
58.58176	1.5
67.05509	17.1
69.07072	9.4
69.56915	1.5
71.08637	35.8
71.52107	1.5
79.05493	7.1
81.03392	1.6
81.07060	22.7
83.08630	12.1
85.10184	19.6
87.04475	62.9
89.06031	4.3
91.05479	5.1
93.07045	8.2
95.08064	2.8
95.08617	29.8
97.10161	7.6
105.07034	2.5
107.08578	2.7
109.02866	4.1
109.10169	14.5
119.08588	2.7
121.06488	3.2
121.10136	2.1
123.11731	6.3
127.03942	2.2
133.10190	2.3
135.08156	1.7
135.11603	1.8
137.13251	3.5
147.11707	2.6
159.04181	1.9
214.11244	1.9
239.23717	33.3
257.24802	4.2
261.22150	1.8
277.21628	3.2
301.29474	2.1
313.27399	100.0
323.83969	1.8
331.28482	11.5
334.43353	1.8
408.14297	1.6
500.57965	2.3
539.28894	3.0
573.49200	3.0
574.39807	5.1
574.48920	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	574.4685
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	12.9
56.51815	1.4
57.03440	6.6
57.07082	36.6
61.94219	1.3
65.03953	1.5
67.05511	47.7
69.07077	11.4
71.05003	18.7
71.08647	21.7
71.52232	1.9
79.05142	1.2
79.05502	13.8
79.16582	1.2
81.07067	71.6
83.04980	3.1
83.08627	14.2
85.06546	7.5
85.10189	12.5
87.04475	9.7
89.06006	1.4
91.05502	17.2
93.07047	12.9
95.04977	1.3
95.08060	2.3
95.08621	25.4
97.06530	2.7
97.10165	4.3
105.07034	9.3
107.08582	10.4
109.10172	15.9
117.07063	2.2
118.62570	1.1
119.08604	1.4
121.10134	4.7
123.11721	15.4
131.08577	3.0
133.10136	13.5
135.11708	2.4
137.13268	1.7
149.13269	3.7
151.11177	5.8
159.11685	4.7
177.12788	2.2
183.13823	3.6
187.13264	5.1
195.13843	3.1
196.40439	1.3
236.07672	1.4
239.23660	2.5
269.17575	2.7
274.21072	1.3
301.20132	22.2
306.24054	1.3
313.27399	27.9
481.38968	100.0
482.39328	2.2
495.40485	4.3
507.40405	4.3
539.43127	43.7
574.49237	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.3038
Annotation	1-palmitoyl-sn--glycero-3-phospho-D-myo-inositol
Peak:m/z	Relative Intensity
53.03939	1.4
55.05499	3.8
57.03440	5.3
57.07079	26.7
57.13737	0.8
65.50439	0.8
67.05503	10.3
69.07072	5.4
71.05008	1.1
71.08630	19.2
71.31910	1.2
71.32236	0.9
75.04465	1.2
78.14083	0.8
79.05481	2.2
81.03413	3.8
81.07057	11.2
83.08625	7.7
85.10184	10.7
86.38142	0.8
91.05494	1.2
93.07038	1.9
95.08061	1.2
95.08612	14.2
97.10159	3.7
98.98472	31.9
107.08575	1.0
109.02893	2.8
109.10164	4.1
119.08538	1.7
121.10085	0.8
123.11755	1.5
127.03930	1.1
129.36099	0.9
152.48584	0.8
155.01056	26.7
173.02098	2.1
200.59036	0.9
239.23724	4.0
261.03638	1.2
313.27371	100.0
314.27728	1.9
317.06287	3.6
335.07254	2.6
384.24716	1.6
393.23990	5.5
401.05499	0.9
401.28812	1.6
501.32031	1.2
537.28094	2.1
573.48425	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	572.2346
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.4
58.09362	0.3
59.62904	0.3
64.07539	0.5
69.03411	0.3
70.06573	0.4
79.05478	0.6
81.03374	0.4
81.07047	0.5
83.04989	0.9
85.02891	0.6
91.05476	0.6
91.47721	0.3
93.07024	0.5
95.04961	0.9
97.06512	0.4
105.07024	1.1
107.04942	0.5
109.06504	0.5
115.05459	0.7
117.05765	3.7
117.07025	0.9
118.06564	0.5
119.08595	0.7
121.06503	0.8
129.07019	0.7
130.06509	0.8
131.07329	1.7
132.04498	0.4
132.08110	21.0
133.06483	1.2
135.04483	0.6
135.08125	0.6
136.07536	0.8
137.05939	0.9
145.05243	2.0
145.06511	1.4
145.10080	0.8
147.08049	0.9
149.05988	0.5
152.33568	0.4
155.06104	0.4
157.10089	0.6
160.07602	36.1
161.05945	0.6
161.08023	0.5
161.09572	0.6
163.07547	1.2
173.09665	0.7
175.07529	1.2
178.08655	55.0
179.08812	0.5
185.09567	0.6
189.09114	0.7
201.09125	1.0
203.07033	0.4
206.08148	100.0
207.08496	1.0
213.09076	0.5
219.10089	0.5
224.09206	71.1
225.09550	0.5
229.08653	0.7
231.10339	0.5
249.11269	0.6
295.11990	0.9
313.12750	0.6
406.96429	0.4
424.16245	0.4
536.21729	0.7
554.22430	4.5
572.23517	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	572.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
66.81029	0.2
66.81393	0.2
70.30244	0.6
70.30621	0.6
79.05453	0.5
81.07043	0.4
83.04960	0.5
85.02897	0.4
91.05465	0.7
93.07011	0.5
93.30534	0.3
95.04951	0.5
97.02859	0.5
100.09798	0.3
100.73856	0.3
102.55962	0.3
105.07034	0.6
108.04507	0.4
109.06490	0.3
117.05757	3.2
117.07021	0.5
121.06510	1.0
130.06517	0.8
131.07294	1.1
131.08554	0.5
132.04443	1.1
132.08102	19.1
133.06506	0.6
133.10065	0.4
135.08031	0.5
136.07588	0.6
137.05940	0.3
145.05205	1.9
145.06487	1.6
145.10135	0.4
147.08011	0.9
150.05489	0.4
159.08084	0.6
160.07591	35.7
161.05977	1.2
163.07535	1.0
173.09644	0.6
175.07533	1.0
177.09181	0.4
178.08641	52.1
179.09000	0.5
185.09569	0.7
187.07571	0.5
189.05505	0.8
191.07130	0.3
201.09021	1.5
203.06995	0.8
203.10616	0.4
206.08133	100.0
207.08475	0.8
213.08997	0.4
219.10110	0.7
221.08145	0.5
224.09190	75.8
225.09627	0.9
229.08650	1.1
231.10191	0.4
247.09714	0.8
249.11545	0.3
256.80011	0.4
262.10648	1.4
270.53543	0.3
277.10645	0.4
280.11792	1.5
295.11823	1.4
299.13934	0.3
313.12872	1.1
340.53842	0.4
412.22647	0.3
457.05646	0.3
506.20108	0.4
518.20227	0.6
536.21405	2.2
554.22314	7.8
572.23413	10.9
573.23755	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.4524
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	6.6
55.01873	2.7
55.05517	67.7
56.05856	4.7
57.03436	7.6
57.07082	28.6
63.48276	1.7
65.03984	2.1
65.52747	2.1
67.05510	78.4
68.05846	3.6
69.07076	65.1
70.06591	2.0
70.07398	6.6
71.05001	17.8
71.08647	19.1
76.43861	2.1
79.05495	38.4
80.05847	4.3
81.07061	100.0
82.07381	4.9
83.04984	3.1
83.08625	57.1
84.08973	3.1
85.06548	7.7
85.10191	8.9
89.06042	3.5
91.05495	28.8
92.05831	2.3
93.07057	44.0
94.07392	4.6
95.04978	3.7
95.08060	3.4
95.08614	38.3
96.08947	5.8
97.06544	4.6
97.10181	37.3
98.10515	5.5
105.07025	15.7
106.07365	2.7
107.08598	22.5
107.65351	1.7
108.08952	3.5
109.06554	3.3
109.10168	17.0
110.10490	3.4
111.08173	2.4
111.11745	10.6
115.05448	2.1
116.07124	4.1
117.07040	5.5
118.07391	3.1
119.08617	8.2
119.27048	1.8
121.10146	21.9
122.10500	5.0
123.11703	14.2
125.13310	3.1
131.08577	10.0
133.10130	16.4
134.10516	2.1
135.11699	13.2
137.13342	2.4
139.11186	2.5
141.01680	1.7
145.10152	2.7
146.10530	2.2
147.11716	4.0
149.13242	9.8
151.11185	4.8
159.11719	4.6
161.13307	2.8
173.74963	1.8
174.13641	1.9
175.71007	1.9
177.12697	2.2
183.13834	3.5
187.13321	4.1
239.23981	2.7
243.21146	2.7
261.22076	3.3
269.17590	3.1
276.90982	2.3
301.20068	13.1
306.03326	1.9
311.25848	36.6
313.27200	2.2
317.24908	2.9
479.37350	94.3
493.38907	5.6
505.38968	4.9
537.41534	43.9
572.47644	71.0
573.48810	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	571.4363
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	13.3
55.01879	13.6
55.05519	79.0
57.07074	14.3
67.05177	9.4
67.05512	90.5
69.07078	67.7
71.05030	7.8
71.22065	6.8
71.22407	9.8
79.05505	70.5
81.07070	95.2
82.31921	6.8
83.04998	17.0
83.08624	36.2
91.05499	55.6
93.07053	71.0
95.04985	8.5
95.08606	77.8
97.06561	24.0
97.10175	54.7
102.78883	7.0
105.07033	56.8
107.08605	50.5
109.06509	7.3
109.10169	45.4
117.07028	51.1
119.08591	72.0
121.10153	38.5
123.11690	12.7
125.09649	24.4
126.16094	5.9
128.45280	7.4
129.06995	31.2
131.08595	74.1
133.10161	52.9
135.11702	25.9
137.09593	10.9
143.08571	29.5
144.09332	7.6
145.10123	64.3
145.27475	7.3
147.11688	33.5
149.13283	10.9
155.08615	21.4
157.10114	41.3
159.11732	59.9
161.13277	18.5
165.09190	13.0
169.10179	23.3
171.11716	29.7
173.13319	40.1
175.14899	16.0
181.12318	7.6
183.11751	15.8
185.13303	26.3
187.14838	15.5
189.11234	18.5
197.13290	18.2
199.14949	17.1
201.16397	12.1
211.14804	12.0
215.17992	10.6
221.15448	20.6
223.14828	12.5
229.19641	9.4
239.17932	9.3
263.20175	8.1
275.20181	7.8
289.21896	9.2
303.22882	7.2
315.23303	9.1
331.26413	8.0
367.29971	13.3
367.45117	7.0
383.33234	10.5
385.31021	100.0
459.34518	21.8
469.20496	7.3
473.35999	11.5
485.36609	8.5
517.40247	18.3
535.41284	26.2
553.42590	85.7
571.43408	87.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.51
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41908	0.3
53.03954	1.7
53.15382	0.3
55.01883	1.2
55.05517	15.3
56.05047	6.3
57.03452	0.8
57.07084	6.9
58.02972	0.5
58.06611	1.4
60.04534	100.0
65.03951	1.2
67.05514	22.2
68.05053	1.0
68.78817	0.4
69.07079	19.1
70.02976	0.6
70.06609	3.3
70.76231	0.5
70.76568	0.8
71.05011	0.6
71.08639	5.0
72.04527	4.5
74.06082	3.2
76.55643	0.4
79.05505	14.6
80.05011	2.2
81.03430	4.6
81.05812	1.1
81.07068	22.0
82.06592	4.7
83.05002	1.7
83.08632	10.5
84.04529	0.9
84.08160	1.7
85.02927	0.9
85.06567	0.5
85.10196	1.8
86.06083	3.8
88.07650	0.6
89.06057	1.2
90.05561	4.7
91.05490	12.9
93.05789	0.6
93.07059	12.1
93.07642	0.6
94.06582	6.8
95.04984	2.9
95.07374	2.1
95.08617	20.4
96.08153	3.3
97.06570	2.5
97.07124	0.5
97.10186	7.3
98.06055	2.2
98.09731	0.4
99.06835	0.6
100.07652	1.2
102.05561	0.7
103.05456	0.4
105.07051	8.5
105.07693	0.7
107.07454	0.4
107.08600	7.3
108.08131	2.3
108.40827	0.4
109.06551	1.3
109.10172	7.5
110.09709	1.2
111.08147	1.9
111.11733	2.2
112.07638	1.8
114.09203	0.6
116.07118	1.1
117.07075	0.5
119.08611	8.4
121.08872	0.6
121.10172	6.8
122.09687	2.1
123.08047	1.8
123.11716	3.2
124.11246	0.7
125.09658	0.4
126.09196	0.7
133.08641	0.6
133.10150	8.6
134.09734	0.6
135.10609	0.6
135.11696	4.3
136.11234	0.9
137.09656	1.4
137.13304	1.2
147.11719	2.4
148.11275	0.6
149.13333	1.3
150.12843	0.5
151.11156	0.4
161.13341	1.5
163.14932	0.9
170.19171	0.5
175.14864	0.7
181.44579	0.4
189.16394	0.4
191.17885	0.5
205.19537	0.5
217.19551	0.6
219.18909	0.4
219.21213	1.8
233.22707	1.8
236.23451	0.4
237.22185	0.6
238.25175	0.5
243.89372	0.4
245.22696	7.2
250.25371	3.8
252.27016	0.9
254.24905	1.2
260.23779	0.5
262.25339	40.7
263.23709	7.5
263.26135	0.6
266.24911	0.8
268.26489	2.2
272.25894	9.4
280.26392	37.8
298.27432	17.5
314.26871	3.1
316.28458	3.3
344.28140	1.6
373.70428	0.4
409.22281	0.4
504.48135	0.9
507.03033	0.4
516.47852	4.9
534.48901	20.5
552.49957	94.6
553.50208	1.8
570.50867	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	570.5096
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	1.8
55.01894	1.1
55.05514	14.3
56.05041	7.0
56.18380	0.4
57.03437	0.8
57.07078	8.4
58.02966	0.7
58.06608	0.7
60.04528	100.0
65.03946	1.4
67.05508	22.6
67.26989	0.4
67.95922	0.5
68.05048	1.1
69.07071	17.1
70.02959	0.6
70.06598	3.5
71.04978	0.6
71.08626	4.0
72.04528	6.1
73.02892	0.5
74.06081	3.2
79.05495	14.9
80.05017	2.1
81.03429	5.2
81.05802	0.6
81.07059	22.0
82.06584	4.3
82.07029	0.5
83.04993	1.7
83.08624	12.1
84.04520	0.9
84.08151	1.0
85.02920	1.0
85.10198	2.0
86.06069	3.4
89.06043	2.7
90.05560	5.4
91.05482	15.1
93.07050	12.9
94.06574	6.6
94.07127	0.6
95.04984	3.1
95.07365	1.8
95.08613	18.1
96.08126	2.8
97.06530	1.9
97.10176	6.5
98.06069	2.3
99.06878	0.7
100.07610	0.8
102.05574	0.6
105.04580	0.6
105.07038	10.2
107.08602	8.2
108.08108	2.1
109.06532	1.1
109.10154	7.6
109.42902	0.4
110.09699	1.4
111.08102	1.9
111.11723	2.4
112.07642	1.4
112.17941	0.4
114.09184	0.5
116.07135	1.2
117.06970	0.4
118.08671	0.5
119.08586	8.9
121.10143	7.5
121.10935	0.6
122.09639	2.0
123.08099	1.9
123.11731	2.7
124.11295	0.6
125.09655	0.7
125.13286	0.4
126.09199	0.6
133.08633	1.7
133.10133	7.6
134.09682	0.4
135.10751	0.7
135.11664	3.4
136.11252	1.5
137.09651	1.3
137.13275	1.2
147.11705	2.0
149.13303	1.2
151.11304	0.7
151.14862	0.9
161.13318	1.6
163.14871	1.1
175.14903	0.8
177.11282	0.9
191.18114	0.5
214.95177	0.4
219.21129	1.1
233.22728	1.5
234.22241	1.2
237.22432	0.5
238.25366	0.8
245.22658	7.1
250.25279	4.5
252.26984	1.5
254.24843	0.8
260.23798	0.5
262.25311	43.1
263.23691	9.7
263.26221	0.7
266.24771	0.9
268.26440	1.4
272.25839	10.0
280.26370	37.0
292.54025	0.5
298.27438	15.0
314.26917	3.3
316.28427	3.4
344.27994	1.1
356.28000	0.6
367.50214	0.4
371.22943	1.1
504.48352	0.7
516.47931	4.0
534.48853	17.6
552.49902	89.1
553.50134	1.2
570.50977	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	570.343
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.5
53.86527	0.5
55.05505	0.5
57.06837	0.5
57.07081	7.3
58.06593	1.8
65.03941	0.7
69.37688	3.8
70.06600	19.7
71.08646	2.7
77.03912	0.5
81.03413	0.5
85.10191	0.8
88.07640	23.1
98.00713	0.5
98.78841	0.5
102.09188	16.8
105.03398	18.1
122.51429	0.5
131.04932	1.0
149.02371	13.4
149.05994	73.8
175.03908	0.6
181.06485	1.9
183.54707	0.5
187.42603	0.7
193.04982	11.1
212.23692	1.3
219.06561	1.2
256.26367	56.0
257.26926	0.6
269.08154	0.5
296.64124	0.6
297.07593	15.3
341.10223	62.5
342.10651	0.8
570.34302	100.0
571.34558	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	1.0
66.42308	0.6
67.05509	1.0
69.03416	2.0
69.07057	0.6
70.06602	1.1
71.01360	13.8
71.40693	1.1
72.08157	0.7
74.54236	0.6
77.22089	0.7
78.03512	0.7
79.05484	1.8
81.07070	1.9
82.06573	0.8
83.04965	1.4
85.02909	1.6
85.06584	0.6
91.05475	2.5
93.07027	1.6
95.04972	2.3
95.08622	1.3
97.02888	1.8
97.06525	0.8
105.07018	2.9
107.08590	1.9
109.06485	1.2
117.07040	1.7
118.06551	1.4
119.04916	1.1
119.08583	0.8
120.04451	1.4
120.08103	2.8
121.06512	2.1
121.10165	1.5
123.04488	0.7
124.03924	1.0
125.05936	0.9
129.06996	1.0
130.05597	1.3
130.06537	20.6
131.04889	1.1
131.08525	0.9
133.05385	1.1
133.06497	2.5
133.10135	1.2
134.02400	5.4
137.05977	4.0
140.03426	0.9
145.06473	2.6
145.10127	1.2
146.06018	4.4
147.04509	1.4
147.08101	0.9
148.07590	33.5
149.06023	5.3
149.09619	0.9
151.07565	1.0
155.08568	0.9
157.10144	1.7
158.06018	1.4
159.08029	1.4
161.06023	3.7
161.09666	0.9
163.07498	1.0
173.09665	2.6
175.07629	1.1
175.14861	1.3
176.07092	28.2
177.05525	0.8
177.07460	0.9
179.06952	0.9
183.08034	1.0
185.09641	1.0
187.07590	1.7
189.05482	2.2
189.09163	2.1
191.07036	1.4
191.10695	0.8
193.15918	1.1
196.06071	1.1
199.07547	1.2
201.05460	1.4
201.09166	3.4
204.06581	100.0
205.06863	1.7
207.10155	1.5
213.09145	1.0
217.08585	0.8
219.06725	0.8
219.10129	3.9
222.07637	37.0
223.08017	1.1
223.13242	4.1
229.08594	3.5
231.10179	1.5
247.09738	1.1
249.11237	4.4
259.09601	1.1
272.07867	0.8
277.10791	6.4
295.11877	5.1
313.12811	2.2
331.13885	1.0
346.48969	0.7
350.60226	0.8
507.03937	0.7
534.20490	1.1
552.20844	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	570.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75669	0.3
55.01856	0.3
57.73968	0.3
70.56899	0.4
70.57236	0.8
74.01670	0.3
74.64236	0.3
78.93468	0.3
81.07073	0.3
83.04971	0.6
86.09728	0.3
88.50986	0.3
91.05482	0.5
91.70314	0.3
93.07022	0.4
95.04948	0.7
105.07030	0.7
107.04929	0.4
111.04462	0.5
115.05460	0.3
117.05759	5.6
121.06532	0.9
123.04428	0.4
129.06998	0.3
130.06526	0.8
131.05026	0.4
131.07326	1.6
132.04477	1.0
132.08099	23.6
133.06493	1.1
135.08060	0.4
136.07561	0.4
137.05988	0.6
143.04961	0.5
145.05238	1.6
145.06516	0.8
150.05499	0.5
151.07520	0.3
153.41121	0.3
159.08073	0.7
160.07591	42.5
161.05977	1.7
161.08070	0.5
161.09656	0.5
164.04619	0.4
167.06987	0.4
169.75192	0.3
173.09644	0.5
175.07550	0.6
178.08643	53.3
179.07129	0.6
179.09000	0.5
189.05476	0.5
189.09152	0.5
191.07104	0.5
199.07729	0.4
206.08134	100.0
207.06747	0.3
207.08499	1.3
217.08717	0.6
224.09189	57.4
225.09561	1.2
229.08545	0.6
229.48854	0.3
245.62975	0.4
262.10739	3.5
280.11761	2.5
313.11469	0.3
339.87601	0.4
534.19592	0.5
546.81561	0.3
552.20837	9.9
570.21832	21.9
571.21301	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96571	22.4
57.03428	0.7
57.46033	0.5
61.02919	0.5
69.03435	2.0
69.37051	1.5
69.37477	3.0
71.01353	0.9
71.95268	2.1
72.08157	0.9
72.96043	0.7
73.02928	1.0
78.90155	0.5
81.03413	0.6
84.96041	7.2
85.02926	3.5
86.39901	0.5
87.04462	0.6
97.02895	2.6
98.97595	100.0
101.02390	0.7
110.97581	19.6
110.98348	1.0
112.99168	2.5
113.02386	0.6
116.98638	23.3
124.99130	1.8
126.97101	1.4
127.00696	3.1
127.03965	1.2
128.98625	10.8
129.02246	2.0
131.00203	2.3
134.99692	2.8
137.06003	0.7
140.98602	2.9
143.00188	5.6
144.98088	2.5
145.01740	3.4
145.05000	1.0
146.99689	2.1
147.03300	8.3
147.04347	0.7
152.98607	3.4
155.00209	1.8
156.98116	0.6
157.01694	1.0
158.99680	39.0
161.01199	3.0
162.99199	1.6
163.02811	1.2
165.04375	3.5
167.07069	0.8
170.99667	6.9
171.03304	3.3
173.01268	1.8
173.04845	0.6
174.99184	0.9
175.02803	1.3
177.00746	18.4
179.02356	0.8
189.00757	2.7
189.04366	8.2
191.02437	0.8
191.05905	1.0
193.03943	0.8
195.01802	1.3
197.01270	3.2
201.00719	5.1
201.04462	1.6
203.02393	0.7
203.05879	1.5
207.05388	2.5
209.01213	0.7
210.82808	0.5
211.02930	0.6
213.04350	1.2
215.02281	4.7
215.05949	0.6
219.01793	26.5
227.02359	1.4
231.05447	3.9
233.03407	1.3
233.06921	1.0
237.02853	27.8
243.05539	1.5
245.03339	1.4
249.06540	2.0
255.03992	1.1
261.02829	0.7
275.04343	0.6
279.03812	0.9
287.04800	0.7
291.07501	17.8
309.08600	40.2
310.08936	0.6
316.95227	0.5
317.05441	15.5
317.09067	0.9
323.06519	1.1
332.10431	0.8
335.06531	19.9
351.09723	1.6
358.08066	0.8
389.11255	1.0
396.12048	0.6
407.12628	0.8
569.17609	89.8
570.17389	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.4277
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	2.4
53.03949	5.2
54.43197	1.2
55.05516	13.7
57.07084	10.8
57.84589	1.2
59.04997	2.0
65.03943	2.7
67.05505	21.2
68.98096	1.4
69.03421	2.1
69.07075	13.9
70.08817	4.7
71.08636	3.4
79.05495	22.6
80.06274	1.8
81.07062	28.5
81.07532	2.1
83.04987	1.7
83.08607	7.5
85.06561	7.0
85.10167	1.2
88.07613	1.6
89.32815	1.3
91.04910	1.9
91.05489	39.7
93.07048	47.8
93.07641	2.3
95.04961	3.5
95.08613	32.8
97.06546	1.7
97.10173	2.2
98.20702	1.3
102.09218	1.6
103.05441	2.9
105.07038	66.7
106.07818	3.9
107.08599	46.2
109.06520	4.2
109.10161	19.5
111.08054	2.2
115.05486	4.8
116.06271	1.6
117.07031	19.4
118.07835	1.9
119.08589	100.0
120.09431	7.2
120.73368	1.2
121.06532	1.6
121.10151	32.7
122.10929	1.6
123.08059	2.1
123.11684	7.0
125.09602	2.8
128.06212	7.8
129.07010	14.2
130.07768	7.7
131.08582	44.9
132.09373	6.5
133.10139	44.8
134.10963	2.2
135.08105	4.6
135.11714	20.2
137.09625	3.2
139.11212	1.7
141.06967	8.1
142.07796	13.1
143.08575	38.0
143.09702	2.2
144.09399	10.6
145.10132	60.5
146.10924	2.8
147.08046	3.8
147.11694	24.2
148.12489	1.6
149.09625	5.7
149.13287	5.3
151.11234	1.8
153.06998	3.4
154.07838	4.1
155.08539	13.8
156.09354	14.5
157.10133	46.6
158.10944	8.1
159.11700	40.6
160.12480	2.7
161.09592	3.1
161.13210	9.2
163.11169	3.0
165.07031	5.3
166.07841	2.6
167.08603	9.2
168.09369	6.8
169.10143	27.8
170.10902	7.9
171.11699	31.0
172.12488	5.6
173.13264	30.4
174.14029	2.4
175.11266	2.5
175.14842	22.1
177.12773	6.1
178.07800	2.0
179.08542	9.5
180.09373	6.1
181.10139	13.5
182.10912	8.9
183.11702	30.7
184.12492	5.8
185.13274	17.4
186.14075	2.4
187.11142	1.6
187.14828	16.8
189.12848	2.8
191.14291	4.5
192.09363	2.2
193.10161	8.4
194.10950	9.9
195.11697	22.4
196.12488	10.0
197.13248	23.9
198.14107	2.8
199.14816	10.8
200.15602	1.6
200.87215	1.4
201.12769	4.5
201.16382	9.2
203.14320	5.1
205.10291	1.6
205.15894	2.7
206.10939	4.6
207.11688	11.6
208.12459	4.9
209.13252	27.4
210.14034	5.7
211.14845	16.6
212.15599	2.3
213.16403	7.1
215.14224	2.1
215.17938	1.9
217.15923	9.2
218.10875	2.8
219.11699	3.0
219.17426	3.0
220.12477	5.0
221.13266	10.6
222.14052	3.8
223.14804	11.2
224.15634	3.1
225.16339	9.5
227.14297	3.1
227.18016	1.5
229.16072	2.1
230.16766	1.6
231.11734	2.7
231.17558	2.2
232.12387	1.7
233.13304	5.1
234.13979	3.3
235.14865	8.5
237.16318	8.5
239.17961	11.2
241.15860	2.7
241.19402	3.0
245.13145	3.4
247.14906	4.9
248.15498	1.7
249.16396	6.2
250.17281	2.9
251.17961	6.2
252.18944	1.6
253.19536	3.4
254.20293	1.8
255.17473	5.2
255.21109	1.4
257.18982	4.3
259.20706	4.6
261.16519	4.2
263.18045	3.8
265.19510	6.5
269.18927	1.6
270.19714	4.1
271.20514	3.2
272.21359	2.7
273.16336	3.1
275.17987	6.0
281.19113	2.1
283.20633	4.9
283.26227	2.1
284.29440	4.5
285.22162	2.5
287.17841	2.1
289.19470	3.0
291.21280	2.0
296.21091	1.8
297.22125	4.3
303.21231	1.9
311.23596	3.0
311.29364	3.8
321.22125	2.0
323.23593	3.4
339.21170	1.6
349.25171	2.9
355.26636	3.0
362.26132	2.2
363.26724	1.9
375.26807	1.9
415.30069	2.3
443.33060	2.0
455.29834	1.7
461.34113	5.1
462.34515	2.6
476.36569	52.7
568.42792	25.5
568.56653	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	568.4276
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.0
55.05512	9.7
57.07075	8.8
65.03935	3.9
67.05505	16.0
68.33229	1.4
69.03426	3.2
69.07076	14.5
71.52055	2.2
79.05500	26.1
80.06262	1.6
81.07064	32.5
83.08617	5.9
85.06533	3.0
87.10914	1.7
88.07655	2.1
91.05482	43.5
92.06277	2.4
93.06483	3.2
93.07047	51.5
94.07813	1.8
95.04387	1.7
95.04978	35.6
95.08610	23.9
97.06522	2.0
97.10171	1.9
102.09153	2.1
103.05444	3.6
105.07034	81.4
106.07819	4.4
107.08598	44.4
107.37716	1.7
109.06506	4.8
109.10154	17.2
115.05463	4.2
116.06263	2.2
117.07037	27.3
118.07824	3.0
119.08588	100.0
120.09355	6.0
121.06493	2.5
121.10152	28.1
123.08076	13.6
123.11710	4.1
128.06221	12.0
129.07013	19.1
130.07790	8.7
131.08578	46.7
132.09331	9.9
133.10136	54.1
134.10912	6.3
135.08035	6.9
135.11691	21.2
137.09589	4.8
138.10422	5.3
141.07030	8.1
142.07797	17.3
143.08572	44.6
144.09331	12.0
145.10133	77.9
146.10907	4.9
147.11687	24.3
149.09613	4.6
151.11166	2.7
153.07031	2.6
154.07803	2.5
155.08566	17.2
156.09366	17.8
157.10136	46.7
158.10922	10.1
159.11700	35.7
160.12527	2.4
161.09624	5.9
161.13239	7.9
165.06978	4.8
165.64684	1.7
166.07782	2.5
167.08636	9.2
168.09354	6.6
169.10115	26.9
170.10944	8.3
171.11685	31.0
172.12436	6.2
173.13258	24.2
175.11116	1.9
175.14813	22.6
177.12738	6.6
179.08606	8.9
180.09332	4.1
181.10106	12.8
182.10948	8.3
183.11702	24.7
184.12445	6.3
185.13255	24.0
186.14032	6.0
187.11235	2.2
187.14854	12.4
189.12898	2.4
191.14314	9.2
192.09326	2.7
192.15073	2.5
193.10109	8.5
194.10890	6.4
195.11653	19.5
196.12509	8.5
197.13292	30.9
198.14021	6.1
199.14868	9.8
201.12683	3.9
201.16388	6.6
203.14388	3.6
205.10103	1.7
205.15797	2.1
206.10960	3.8
207.11765	10.5
208.12491	5.1
209.13269	22.5
210.14026	5.1
211.11209	1.7
211.14847	16.5
212.15489	2.7
213.16411	5.2
215.14226	2.0
217.15907	7.3
219.11781	2.3
219.17534	2.3
220.12547	2.4
221.13240	7.5
222.13977	4.4
223.14851	11.2
224.15649	3.7
225.16364	7.9
226.17062	2.0
227.17853	3.3
229.15948	1.7
232.12675	1.8
233.13289	4.4
235.14799	7.3
237.16371	7.2
239.17937	5.6
241.19540	5.2
246.14264	2.0
247.14694	2.4
249.16385	4.8
251.17981	2.2
253.19499	3.0
255.17548	2.2
257.19055	3.1
259.14767	1.9
259.20630	2.6
261.16400	4.1
263.17853	4.0
265.19525	5.4
271.20688	2.1
275.17987	2.9
277.19434	2.9
279.21082	3.7
283.20593	6.2
284.29498	4.4
285.22159	3.1
297.22134	4.5
305.22656	1.8
311.29449	4.8
323.23697	6.2
338.26062	38.0
349.25192	3.1
351.26929	2.3
411.60590	1.8
415.29871	2.6
420.30231	2.6
430.32419	13.3
438.94547	2.0
458.35196	2.6
476.36670	16.4
479.46313	1.7
566.73706	2.1
568.42865	26.0
568.56342	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	568.4283
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.9
55.05520	12.2
57.06837	1.6
57.07083	18.7
62.76512	1.5
67.05515	21.0
69.07074	16.3
69.93166	4.6
69.93562	4.0
70.06604	10.8
71.08609	6.2
71.09003	1.7
77.03920	2.0
79.05502	22.2
80.06294	2.0
81.07064	33.6
82.61613	2.2
83.04996	3.8
83.08627	5.3
85.06542	4.5
85.10186	5.4
88.07641	16.1
91.05489	43.9
92.06303	2.4
93.07052	51.7
95.04984	38.4
95.08617	27.1
97.06501	3.5
99.21252	1.8
102.09191	9.0
103.05465	6.3
105.07043	75.7
106.07820	5.9
107.08607	47.9
109.06528	4.0
109.10168	15.1
110.36868	1.7
115.05455	4.9
117.07036	30.3
118.07804	2.4
119.08595	100.0
120.09404	8.7
121.06568	4.0
121.10167	28.4
123.08078	16.0
123.11695	5.9
125.09648	3.9
128.06277	10.0
129.07024	14.3
130.07825	11.1
131.08582	45.2
132.09344	13.1
133.09120	3.4
133.10138	55.8
134.10936	4.9
135.08044	7.6
135.11703	20.0
137.09624	4.7
138.09329	1.7
138.10387	7.7
141.06995	6.1
142.07764	14.5
143.08582	40.9
144.09354	15.6
145.10141	88.7
146.10924	6.1
147.08061	2.6
147.11719	22.6
149.09621	7.4
149.13252	5.1
151.11205	3.9
153.07042	3.1
154.07806	3.0
155.08565	15.3
156.09373	17.3
157.10143	50.5
158.10901	12.0
159.08015	2.9
159.11702	39.5
160.12450	3.1
161.09610	7.2
161.13272	8.3
163.14783	1.7
165.06975	6.0
167.08592	7.9
168.09358	7.7
169.10129	27.5
170.10922	7.3
171.11707	27.4
172.12471	5.2
173.09608	3.1
173.13295	30.8
175.11328	2.1
175.14839	18.9
177.12733	5.7
179.08626	8.3
180.09331	4.5
181.10130	17.5
181.49442	2.1
182.10910	9.5
183.11732	23.0
184.12508	3.9
185.13286	24.8
186.14064	7.4
187.14874	15.0
189.12823	3.0
191.08667	2.4
191.14304	10.5
192.09369	2.1
192.15105	2.9
193.10114	9.5
194.10913	9.9
195.11705	15.4
196.12527	7.7
197.13278	26.8
198.14009	4.3
199.11171	2.7
199.14851	10.6
200.15504	2.4
201.12759	3.4
201.16417	7.3
203.14432	3.3
206.10974	5.1
207.11742	7.2
208.12509	5.9
209.13286	23.8
210.14070	3.4
211.14867	16.2
213.16414	5.5
215.14426	2.5
217.15947	5.2
218.16675	1.7
219.11708	2.4
220.12596	2.6
221.13297	9.1
222.14099	3.9
223.14824	10.5
224.15633	4.8
225.16400	9.4
227.18082	2.5
231.17453	2.5
233.13316	4.8
235.14767	5.7
237.16400	8.2
238.16904	2.3
239.17981	8.1
241.19609	2.5
245.13155	2.0
246.13861	2.5
247.14847	2.3
249.16408	3.7
251.18095	3.1
253.19576	2.9
259.20605	3.8
261.16397	3.7
262.17148	2.2
263.18042	4.2
265.19608	4.7
277.19537	4.1
279.21155	3.1
283.26437	8.9
284.29480	26.0
285.22223	2.2
302.30450	2.7
303.05997	1.8
305.22781	2.7
311.29459	31.9
312.32669	8.7
323.23773	7.4
337.25076	2.3
338.26102	40.1
415.30188	1.9
420.29861	2.0
430.32401	14.0
476.36383	14.9
568.43109	23.7
568.56659	75.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.4285
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	4.4
55.05519	11.2
57.07085	11.8
59.04984	2.5
65.03939	3.0
67.05527	22.4
67.33436	2.1
69.03422	4.1
69.07075	17.5
70.06588	4.4
70.69259	5.3
71.08628	2.1
79.05505	27.9
80.06269	3.7
81.07070	42.6
82.48158	1.8
83.05006	3.5
83.08620	8.1
85.06557	3.2
88.07642	3.5
91.05489	49.0
92.06267	4.2
93.06485	3.7
93.07058	58.1
94.07835	2.5
95.04984	39.7
95.08079	2.4
95.08625	26.2
97.06563	2.1
97.10205	2.4
100.06762	2.0
100.12677	1.8
103.05466	2.7
104.06266	2.6
105.04523	2.9
105.07050	89.3
106.07823	3.7
107.08617	40.4
109.06485	3.3
109.10180	21.8
115.05467	8.5
116.06221	3.7
117.07034	26.9
118.07860	2.1
119.08603	100.0
120.09367	7.3
121.10166	31.7
123.08085	18.1
123.11707	5.7
125.09584	2.3
128.06239	9.2
129.07024	17.5
130.07852	12.2
131.08591	52.8
132.09407	11.2
133.10155	58.1
134.10909	6.4
135.08104	6.3
135.11693	16.8
137.09592	5.8
137.38992	1.8
138.10393	8.4
141.06982	9.1
142.07808	16.3
143.08588	47.8
144.09340	13.5
145.10147	90.4
146.10904	4.1
147.08063	2.1
147.11716	24.9
149.09659	6.6
149.13295	3.9
151.11212	2.5
153.06970	3.3
154.07834	3.2
155.08589	19.7
156.09349	16.6
156.16949	1.9
157.10158	53.3
158.10881	8.8
159.11722	32.8
160.12473	5.4
161.09659	8.7
161.13251	5.7
163.11235	1.9
165.07016	3.9
167.08592	9.0
168.09364	6.7
169.10165	28.1
170.10934	8.4
171.11743	31.5
172.12515	7.3
173.13304	27.4
174.14044	2.3
175.14847	18.6
177.12794	4.7
179.08591	7.8
180.09334	3.1
181.10115	15.6
182.10945	9.2
183.11739	28.9
184.12508	4.7
185.13268	26.1
186.14049	8.8
187.14844	12.2
189.12868	3.8
191.14372	9.8
192.15166	3.7
192.42578	1.9
193.10164	7.6
194.10950	7.3
195.11748	16.6
196.12442	8.8
197.13333	31.9
198.14055	3.5
199.14923	9.9
201.12805	3.5
201.16394	6.7
205.15929	3.7
206.11032	4.5
207.11710	9.6
208.12431	3.6
209.13289	24.2
210.14034	3.3
211.14857	18.7
213.16440	6.9
215.14464	2.8
216.62276	2.1
217.15887	4.3
219.11739	3.3
220.12495	3.0
221.13240	5.6
222.14104	3.7
223.14873	12.6
224.15599	5.5
225.16447	6.5
226.17235	3.5
232.12479	2.5
235.14868	6.9
236.15401	2.3
237.16418	7.8
239.17966	4.5
241.19540	2.3
247.14911	2.9
249.16344	4.6
251.18187	2.8
253.19498	4.6
255.17416	2.9
257.19061	4.5
259.20557	2.8
260.23785	3.1
261.16348	4.6
263.17859	3.4
265.19620	5.6
270.19858	1.9
275.18033	3.7
277.19678	3.8
283.20667	3.2
284.29590	7.8
305.22717	2.7
309.22122	2.8
311.29453	6.9
323.23685	8.4
338.26093	37.7
349.25345	2.3
430.32391	14.6
476.36472	14.3
550.48370	3.3
568.42834	20.8
568.56549	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	568.4276
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.3
55.05522	11.4
57.07078	6.8
59.05013	1.4
62.49599	1.4
65.03941	3.1
66.99923	1.5
67.05512	16.8
69.03431	2.6
69.07076	14.1
70.08729	6.0
72.02998	1.6
77.03929	1.5
79.05496	23.9
80.06252	3.5
81.07062	31.3
82.67203	1.3
83.05003	4.0
83.08623	5.4
83.77753	1.4
85.06546	4.4
91.05482	40.1
92.06236	2.9
93.07052	53.7
93.07644	2.6
94.07848	2.5
95.04979	40.6
95.08609	28.9
97.06509	1.7
103.05487	4.6
105.04528	1.5
105.07040	83.8
106.07826	4.1
107.08603	46.6
108.09458	1.8
109.06535	3.6
109.10167	21.6
115.05492	5.6
117.07021	25.8
118.07858	1.8
119.08591	100.0
120.09429	7.7
121.06516	2.4
121.09322	2.6
121.10152	31.7
123.08089	15.2
123.11710	6.0
125.09705	1.6
128.06235	10.4
129.07019	15.5
130.07808	9.0
131.08575	49.9
132.09392	10.4
133.10146	56.5
134.10960	6.4
135.08064	6.1
135.11705	18.4
137.09631	4.8
138.10437	6.9
139.11218	2.0
141.07007	6.1
142.07787	17.5
143.08572	39.5
144.09360	14.2
145.10132	93.1
146.10866	6.1
147.08070	1.7
147.11687	26.5
149.09616	5.4
149.13219	2.7
150.10231	1.3
151.11176	3.7
153.07022	3.7
154.07761	2.6
155.06079	1.9
155.08563	17.7
156.09358	19.7
157.10143	48.8
158.10896	12.6
159.11711	42.3
160.12476	4.1
160.82864	1.5
161.09642	4.9
161.13275	9.3
163.11238	3.2
165.06992	3.8
167.08635	7.0
168.09384	6.5
169.10156	24.9
170.10928	9.0
171.11700	37.0
172.12448	6.4
173.13271	28.5
175.11220	2.1
175.14827	19.6
177.12799	7.0
179.08571	9.4
180.09360	3.8
181.10130	16.1
182.10931	6.2
183.11690	29.2
184.12466	4.0
185.13257	28.1
186.14049	8.5
187.14825	16.7
189.12743	3.4
189.16383	2.1
191.14330	13.7
192.09343	2.9
192.15123	4.2
193.10216	7.9
194.10945	8.4
195.11705	16.9
196.12505	10.2
197.13268	28.1
198.14084	5.1
199.14789	12.4
200.15608	2.1
201.12679	3.4
201.16379	8.1
203.14323	2.8
205.15897	1.7
206.10942	3.3
207.11696	11.4
208.12482	4.4
209.13261	28.3
209.15118	2.2
210.14058	4.0
211.14819	19.8
212.15517	2.4
213.16391	5.3
215.14314	2.1
217.15958	5.6
218.16594	1.5
219.11736	2.4
219.17453	3.1
221.13293	7.4
222.14166	2.1
223.14806	13.4
224.15681	4.0
225.12903	2.0
225.16431	9.7
226.17206	2.4
227.14410	2.6
227.17842	2.0
229.15822	2.9
231.11832	3.1
231.17421	2.0
232.12505	1.8
233.13338	3.0
234.13985	1.8
235.14861	5.1
235.35333	1.5
235.71541	1.5
237.16484	10.1
238.17014	2.0
239.17943	7.8
241.16093	1.7
241.19511	4.9
245.13261	1.9
247.14839	3.3
248.15742	1.6
249.16341	4.6
250.17070	2.3
251.18016	4.3
253.19412	2.7
255.17426	1.5
257.19000	2.7
259.14841	2.4
259.20544	2.7
261.16425	3.6
263.18100	4.3
264.18848	1.3
265.19473	5.6
267.20993	2.1
269.19125	1.9
270.19846	1.9
271.20660	2.0
275.18076	3.7
277.19473	4.3
279.21210	4.2
281.19003	1.6
283.20544	4.3
285.22186	3.4
289.19620	1.4
291.21136	1.9
297.22217	3.0
305.22598	3.3
309.22098	1.4
323.23679	7.9
337.25226	3.9
338.22037	2.6
338.26077	44.1
349.25211	2.6
415.29654	2.0
420.30133	2.0
430.32361	13.2
458.35507	2.0
476.36530	16.7
550.41400	2.1
568.42920	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	568.2405
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64882	0.2
53.03955	0.5
55.01857	0.2
55.05503	0.7
55.96124	0.2
59.04989	0.7
60.81595	0.2
62.85109	0.2
67.05499	0.8
68.05026	0.3
69.03435	0.7
69.07062	0.4
78.03456	1.0
79.05501	0.6
80.05024	4.1
81.07067	0.6
83.05004	1.4
85.02934	1.2
85.06559	0.3
91.05470	0.8
93.07043	0.6
95.04982	0.7
95.08617	0.7
96.04507	2.8
97.02925	0.3
97.06566	0.6
97.10159	0.2
99.04472	0.2
101.06004	1.3
103.05470	0.3
104.05020	0.3
105.07031	0.6
107.04961	0.5
107.08603	0.9
107.48612	0.2
109.02917	0.3
109.06551	0.3
109.10158	1.0
119.08617	0.9
120.08136	0.4
121.06470	0.4
121.10178	0.4
121.24604	0.2
123.08083	0.9
124.03971	100.0
125.04315	0.7
125.06029	0.7
125.09654	0.9
127.94661	0.2
129.05614	0.3
131.04984	0.5
131.08595	0.5
133.10146	0.8
135.08072	0.6
136.07645	0.3
137.06032	0.8
137.09592	0.4
138.06380	0.2
138.09189	0.6
143.08575	0.6
143.10680	0.3
145.10150	0.5
147.08083	0.3
147.11720	0.5
151.07607	0.5
151.11179	0.3
161.09698	1.0
163.07571	0.3
163.11211	0.6
165.09164	0.6
166.08609	0.3
171.08099	0.8
173.13269	0.5
177.09169	0.5
177.12767	0.2
178.08751	0.4
179.09360	0.3
179.10660	1.3
180.06618	0.7
181.08620	2.0
189.09076	1.3
191.14377	0.5
201.12825	0.5
207.10193	9.8
208.10609	0.3
209.08083	0.6
209.15231	0.2
219.13904	1.6
222.07620	0.8
225.11275	1.7
229.12422	0.4
237.10301	0.4
237.14896	2.4
247.13260	2.8
249.10226	0.5
249.33609	0.3
251.08273	0.3
253.09825	0.3
265.09833	0.5
265.14362	4.6
279.07837	0.3
279.11209	0.3
280.08417	1.0
282.10001	0.3
283.15436	4.0
293.12857	0.4
297.12067	0.2
308.08017	1.4
309.08813	0.3
323.10242	0.3
327.13425	0.3
334.24918	0.2
335.22244	0.9
339.13440	1.0
341.11343	2.8
353.23245	0.4
369.11111	0.2
389.85321	0.2
445.20731	0.2
490.36456	0.2
492.21365	0.5
494.19223	2.8
518.18842	0.4
524.24078	0.6
536.20563	1.6
550.21985	2.6
568.23853	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	568.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.4
67.05489	0.6
69.03394	0.6
69.61594	0.9
69.62005	1.8
70.06607	0.6
79.05482	0.6
83.04998	0.7
85.79345	0.5
91.05468	1.1
93.36093	0.4
95.04976	1.3
95.08673	0.5
98.21653	0.4
103.05472	0.6
105.07013	1.7
106.06547	0.8
107.04921	0.9
109.06546	0.9
115.05455	0.6
117.05811	0.6
117.07008	1.0
118.06523	2.7
119.07327	0.6
120.04465	1.6
120.08122	3.0
121.06515	1.0
123.04443	0.9
124.03902	0.8
125.06033	0.9
129.52448	0.5
130.06534	22.7
130.07507	1.1
131.04964	0.5
133.05257	0.6
133.06468	1.4
134.02388	5.3
135.04434	0.6
135.08028	0.8
137.05975	1.7
138.05341	0.5
143.08504	0.5
145.06500	1.0
145.10042	0.4
146.06041	4.9
146.35475	0.4
147.04408	0.6
147.07976	0.5
148.07588	32.4
149.05989	1.6
150.06772	1.6
151.07507	0.8
158.06039	1.6
159.08090	0.7
161.05980	2.3
161.09550	0.9
163.07552	1.0
165.05505	1.1
171.08087	0.7
173.06029	0.6
175.07468	0.7
176.07088	26.6
177.05434	2.1
177.09105	0.7
178.06261	4.9
179.07022	2.0
187.07564	1.1
189.05519	0.7
189.09128	1.3
191.07001	0.9
194.08182	1.1
199.07541	0.5
201.09117	1.1
204.06573	100.0
205.06906	1.6
205.08652	0.5
207.06493	1.1
217.08580	1.7
219.06590	1.0
219.10115	0.7
222.07637	19.2
223.07712	0.5
229.08635	0.9
234.08813	2.4
235.05988	0.7
235.09608	1.0
236.68192	0.5
237.07576	3.0
245.07954	0.9
247.09700	1.0
253.10701	1.0
257.08081	0.7
265.10712	1.6
275.09161	1.2
293.10138	2.2
360.02914	0.6
494.16891	0.6
532.18182	1.1
537.98639	0.5
550.19098	3.5
568.20319	1.3
571.48077	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.2295
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26866	0.2
65.03955	0.3
67.05502	0.4
69.07060	0.4
77.00385	0.2
79.05498	0.8
80.05030	0.6
81.05795	0.3
81.07065	0.4
82.06592	0.5
85.02906	0.5
86.09718	0.3
91.05489	1.1
93.05802	0.5
93.07052	1.7
94.06577	2.0
95.04981	0.5
95.07346	1.8
95.08609	0.3
96.08139	3.7
97.02888	0.6
97.06551	0.3
97.10167	0.3
98.21571	0.4
103.05473	1.1
105.05782	0.2
105.07049	0.4
106.06562	0.3
107.04949	0.5
107.23615	0.2
108.08131	5.7
109.08871	0.3
110.09691	6.0
118.06561	0.4
119.07336	0.3
120.04469	0.2
120.08110	5.2
121.06567	0.2
122.06026	0.7
122.09661	0.8
124.07595	0.9
132.05276	0.3
132.08055	0.3
133.06520	0.2
136.07591	3.9
137.06033	0.8
137.08443	0.2
138.02599	0.2
138.09151	6.5
146.05983	0.3
148.07576	1.8
150.09155	1.4
152.07077	0.4
153.05469	0.4
164.07092	0.5
166.08636	6.0
166.09943	0.4
167.07095	0.9
168.10268	0.3
174.09142	0.4
175.07495	0.3
176.10716	0.5
180.07967	0.3
180.10233	0.4
182.11804	0.3
196.09869	0.8
197.10788	0.9
202.08661	0.3
206.10458	0.3
207.09282	0.4
208.09970	0.4
209.10748	1.6
210.11485	0.5
211.08743	0.2
211.12247	1.4
215.08678	0.4
220.09966	0.4
221.10780	0.9
222.07935	0.9
222.11581	0.9
223.08835	1.2
223.12306	4.0
224.09459	1.3
224.13066	0.5
225.10199	3.2
226.10916	0.3
227.08067	0.3
234.11617	0.3
235.08673	3.5
235.12291	0.5
236.09430	2.7
237.10252	10.6
238.10989	1.6
239.08220	0.3
239.11801	4.4
240.12665	0.7
241.09816	0.6
241.13455	0.3
242.29701	0.2
247.08698	1.1
248.09492	1.9
249.10248	18.4
250.07462	0.2
250.08331	0.3
250.11017	4.0
251.08217	1.0
251.11810	8.8
252.09023	1.0
252.12581	3.1
253.09767	4.2
253.13286	0.6
254.10466	0.6
255.11261	1.1
256.12155	0.2
260.09543	0.3
261.10294	2.8
262.11234	0.6
263.08191	2.9
263.11740	1.8
264.08945	2.3
265.09741	17.3
265.13300	0.9
266.10489	3.2
266.13501	0.4
267.08423	0.3
267.11346	6.8
267.14935	1.6
268.08768	0.3
268.12003	1.1
269.09290	1.5
269.12485	0.4
275.08234	0.8
275.11804	0.3
276.09003	2.6
277.09744	11.4
278.10519	7.0
279.07993	0.6
279.11282	9.9
280.12085	4.9
281.09262	2.2
281.12851	1.9
282.10028	0.7
282.13638	0.3
283.10846	2.0
283.14206	0.4
284.11475	0.5
285.12387	0.5
289.09723	0.9
291.07660	1.2
291.11310	2.9
292.08679	0.6
292.12015	3.4
293.09283	2.5
293.12897	8.0
294.10031	3.0
294.13245	0.4
295.10834	2.7
295.14478	1.3
296.08481	0.3
296.11496	1.5
297.08774	1.3
297.12396	1.8
298.13071	0.3
299.10785	0.3
299.13864	1.2
304.05453	0.3
304.08401	1.4
305.09149	1.9
306.09976	4.4
306.13293	0.3
307.10770	3.9
307.14139	0.3
308.07974	1.7
308.11505	0.6
309.08737	3.0
309.12396	5.1
310.09476	1.0
310.12909	0.5
311.10294	2.0
311.13937	2.3
312.11115	2.7
312.14471	0.4
313.12000	0.7
314.12952	0.6
314.16678	0.2
315.13507	1.1
316.14523	0.4
319.10794	5.4
320.11389	0.4
321.12302	2.1
322.09412	0.6
323.10327	2.3
324.11050	3.0
325.11884	4.5
325.15445	0.5
326.12436	1.3
327.13406	10.0
328.14417	1.2
329.15363	0.9
330.16174	0.5
332.08038	0.3
333.08810	0.3
335.10345	0.5
335.22360	0.3
336.11197	0.2
337.08398	0.3
337.11835	8.0
338.12494	1.0
339.13419	27.8
340.10321	0.3
340.14447	1.3
341.11594	0.5
341.15204	1.2
342.12289	0.7
342.16095	0.9
343.13098	1.3
343.16678	0.4
344.13818	0.4
344.17755	0.3
347.10184	1.0
350.08929	0.5
351.09753	0.7
351.13586	0.5
352.14230	0.4
353.11429	2.0
353.15091	0.8
353.23206	0.3
354.12128	0.6
354.16068	0.3
355.12952	1.4
356.13956	1.2
356.17874	0.3
357.14880	1.0
358.15372	2.6
359.16016	5.3
360.17145	0.5
365.11325	6.5
366.12030	0.4
367.13226	0.4
368.13815	0.5
369.10703	0.8
369.14651	1.3
370.11636	2.5
370.15683	1.4
371.12119	0.5
371.16193	1.0
372.17062	0.8
374.15033	0.5
382.11581	4.6
382.16006	0.3
383.12439	1.8
384.13232	1.2
384.17542	0.5
385.13931	4.5
385.18295	0.3
386.14713	0.6
386.18787	0.7
387.15866	0.4
388.16583	0.8
397.13959	18.2
398.14465	1.0
400.16907	1.1
402.14444	0.8
402.18329	0.8
403.15115	0.7
414.18600	0.3
415.14978	1.4
416.15927	1.5
418.17630	3.7
430.18335	0.4
432.19409	1.3
433.19882	0.9
444.15738	0.7
446.16776	0.3
449.19626	0.4
459.17825	0.3
460.18781	1.1
462.20410	1.4
464.21661	0.5
472.18759	0.7
474.20560	0.5
477.19150	1.3
487.50555	0.2
490.19861	2.3
492.21338	7.9
492.28433	0.4
506.22672	0.4
518.19275	4.6
522.22382	2.2
523.40295	0.2
524.23981	21.1
525.24323	0.5
536.20331	3.1
547.53583	0.3
550.21869	100.0
551.22272	3.0
568.22931	30.0
569.23303	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49554	0.6
53.03928	0.8
61.59100	0.5
70.66322	1.4
79.05475	1.4
81.07052	0.5
86.36154	0.5
91.05489	1.0
94.51524	0.5
95.04951	0.6
95.08574	0.5
105.06998	1.2
106.06572	4.9
109.06517	0.9
115.05473	1.2
117.05746	1.1
117.07037	0.8
119.08582	0.7
120.08177	0.6
121.06523	0.7
130.06537	6.5
132.04433	0.7
132.08141	3.3
133.05247	7.3
134.02359	2.1
134.06026	21.4
137.05952	1.3
145.06523	1.2
147.04414	0.9
148.07587	15.0
149.05968	0.7
151.03932	0.5
158.06029	17.2
160.07594	1.0
161.05991	3.1
163.07539	0.6
171.08122	0.5
176.07095	63.4
177.07443	0.9
178.06233	0.8
179.07089	0.9
186.05495	3.3
189.05460	1.7
189.09067	0.9
194.08147	100.0
195.08484	1.2
199.07451	0.7
201.09181	0.8
204.06589	18.2
217.08583	1.0
221.08350	0.7
222.07626	8.5
222.09627	0.7
240.08725	3.5
247.09894	0.7
250.10780	18.0
260.09207	1.8
263.09103	0.6
275.09161	0.6
277.70758	0.5
278.10303	2.2
287.05585	0.8
288.05933	1.1
289.06250	0.8
290.06345	0.8
293.10242	0.9
296.11325	9.7
297.96262	0.5
432.71930	0.5
522.19794	1.0
532.18152	1.9
540.20862	15.9
550.19305	6.5
568.20325	51.9
569.20361	1.5
573.27002	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.1499
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00309	10.3
55.01878	13.9
57.03440	35.8
58.86517	2.8
64.20127	2.4
67.01860	3.1
69.03432	34.6
69.04286	2.4
69.38746	11.7
69.39161	6.1
71.01354	16.6
73.02912	10.6
75.58215	2.3
79.05522	2.2
81.03420	4.1
83.01346	8.3
83.04958	3.7
85.02907	100.0
87.00850	11.0
89.02395	8.6
91.05486	55.3
95.01347	20.4
95.04937	4.1
97.02901	77.5
99.00824	46.2
101.02414	6.9
103.03924	6.6
103.05475	24.0
105.03423	4.3
109.02906	4.9
111.04447	3.5
113.02377	64.3
115.03944	4.3
115.05459	4.9
120.48639	2.3
123.00763	5.1
125.02358	4.2
127.03948	4.3
129.01833	4.8
129.07016	6.5
131.03418	16.5
131.04927	12.6
137.02354	2.8
139.03961	4.3
141.01833	21.2
153.06976	4.3
159.02879	19.3
165.01895	2.8
165.06999	11.8
166.07788	28.1
167.03445	4.7
171.02885	4.7
179.08549	5.2
181.10132	62.9
190.07762	8.0
191.08556	9.8
202.07880	4.9
203.08524	12.9
204.09386	12.0
205.10139	61.8
211.02380	7.3
214.05815	2.4
215.08582	65.9
225.03952	6.0
229.03400	15.7
233.09630	74.4
239.01920	4.0
241.03371	2.8
243.05212	4.3
243.08168	10.2
253.03471	3.6
253.10443	2.9
257.02924	9.2
261.09125	38.1
271.04504	26.2
275.03973	4.1
275.10571	4.9
279.10162	11.1
287.05542	9.5
341.05023	2.8
369.04681	13.9
387.05588	19.4
408.14362	2.5
419.11029	2.5
435.10770	3.9
522.62408	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	567.4204
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	8.6
55.05507	17.1
57.07065	10.1
59.04992	2.7
67.05511	30.0
69.03444	4.0
69.07073	15.8
69.28885	9.1
69.29298	18.5
79.05497	34.7
81.07059	62.4
83.08627	9.3
91.05479	62.1
93.07047	76.7
95.04990	12.7
95.08611	45.8
97.06510	6.2
98.20948	11.4
98.21574	6.7
103.05453	3.9
105.07038	100.0
107.08600	57.9
109.10155	37.7
115.05446	6.6
117.07027	22.6
119.08591	89.8
121.10147	65.2
123.11693	15.3
128.06233	11.9
129.07031	17.2
130.07799	8.1
131.08572	43.5
133.10150	62.0
135.11711	29.7
135.34373	3.2
137.09637	6.2
141.07027	10.5
142.07782	18.2
143.08578	38.0
144.09354	6.6
145.10135	62.0
147.08011	4.8
147.11668	26.7
149.09644	8.4
151.11147	3.5
153.07031	3.9
155.08568	17.9
156.09343	12.5
157.10130	47.7
158.10838	3.9
159.11707	23.6
161.13219	19.4
165.06964	4.4
166.07759	4.4
167.08551	9.7
168.09396	4.7
169.10121	22.0
170.10947	6.5
171.11736	24.1
173.13261	28.9
175.04060	2.9
175.14835	18.9
178.68875	3.3
179.08575	7.5
180.09294	4.7
181.10091	12.2
182.10976	6.3
183.11722	27.4
185.13304	14.1
187.14853	14.0
191.14355	4.7
192.09409	4.0
193.10197	13.4
194.10902	6.7
195.11693	19.3
196.12459	4.3
197.13255	20.9
199.14851	12.6
201.16417	9.5
205.10057	3.9
206.10921	4.3
207.11664	15.3
208.12492	4.7
209.13229	21.3
210.14091	3.5
211.14848	13.1
213.12776	3.5
213.16420	5.8
218.10921	3.5
219.11758	5.0
220.12419	3.8
221.13295	9.7
223.14833	11.4
225.16461	4.2
231.11769	3.9
233.13231	8.6
234.14000	3.6
235.14821	12.0
237.16388	7.2
239.18005	5.3
244.12566	4.0
245.13316	4.6
247.14839	5.8
249.16347	3.4
251.17746	5.0
253.19505	8.8
259.14954	4.9
261.16388	6.5
267.21140	3.7
269.18973	4.6
272.15515	3.1
275.17911	3.9
279.21100	3.5
287.17899	5.1
289.19385	4.8
303.20901	3.4
305.22931	4.0
317.22495	3.3
343.23965	3.2
348.24728	3.8
401.28632	2.9
406.62326	3.0
429.31427	3.6
529.86902	3.1
549.40723	11.1
567.42206	33.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.1349
Annotation	Quercetin 3-xylosyl-(1->2)-alpha-L-arabinofuranoside
Peak:m/z	Relative Intensity
52.12400	1.1
53.03940	1.2
55.01866	2.2
57.03450	11.3
61.02925	3.1
69.03434	12.9
69.45412	8.4
71.01349	2.2
73.02924	26.7
81.03413	2.0
85.02918	6.2
97.02311	1.3
97.02905	23.2
97.58107	1.0
98.20763	2.3
99.04445	2.7
101.98957	1.0
103.03961	1.5
109.41857	1.0
115.03941	15.3
121.02876	2.2
123.04433	1.3
133.04971	3.0
137.02376	8.5
137.05933	1.2
149.02362	1.8
153.01817	3.9
163.03906	2.4
165.01819	3.4
175.03830	1.2
187.03966	1.1
187.92577	1.2
201.05466	2.3
211.06046	4.2
229.04945	3.9
229.07030	1.6
237.31995	1.0
257.04550	2.5
277.04260	1.2
285.03857	2.0
299.05585	2.1
302.04391	1.6
303.05026	100.0
304.05139	1.2
311.05872	1.2
313.07251	1.2
315.04984	17.7
316.05475	1.8
327.05057	4.4
329.06613	2.6
337.07242	1.1
341.06616	4.5
345.06155	14.9
353.06451	4.3
357.05734	1.2
369.06073	12.0
381.06189	6.2
399.07205	20.0
400.07410	1.4
408.80029	1.1
417.08240	8.9
435.09259	24.5
487.23007	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.15
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00309	9.0
53.03947	3.2
53.26781	1.9
55.01879	15.1
57.03443	36.4
65.03941	2.4
67.05516	3.2
68.99792	3.0
69.03432	31.7
69.07048	2.9
70.93089	4.7
71.01359	16.1
73.02921	9.3
76.16692	1.9
79.18880	2.0
81.03416	6.2
81.07053	3.4
83.01346	7.1
83.04981	4.5
85.02914	100.0
87.00839	8.7
89.02399	8.0
91.05486	57.3
93.07046	3.3
94.62350	2.2
95.01331	25.6
95.04961	6.2
95.08590	3.0
97.02899	76.6
99.00822	47.6
101.02390	6.9
103.03943	9.0
103.05475	41.6
105.03378	3.0
105.07048	3.0
107.08625	2.5
109.02910	3.4
111.04457	5.7
113.02377	73.0
115.03920	3.0
115.05512	3.0
121.06516	2.1
123.00793	5.9
123.04393	2.6
125.02352	4.3
127.03921	3.1
128.06190	2.4
129.01913	2.2
129.06955	9.7
131.03435	11.0
131.04941	46.9
137.05966	3.6
139.03923	3.1
141.01840	18.6
151.03922	2.0
159.02908	12.3
165.06973	11.6
166.07811	24.5
167.03467	4.0
171.02916	3.8
178.07834	3.3
179.08568	6.4
181.10136	65.0
185.04402	2.3
185.07730	2.0
190.07826	9.1
191.08513	10.0
197.04585	2.1
202.07794	4.4
203.08578	12.4
204.09389	9.7
205.10149	51.9
205.12018	3.8
211.02492	6.9
212.76587	1.9
213.03979	3.5
215.08574	78.9
216.09148	2.0
218.07318	5.9
225.03871	5.7
229.03468	14.1
231.08101	4.8
233.09639	70.2
234.10013	2.1
243.05124	3.7
243.08069	10.8
250.49075	2.2
251.10794	2.2
253.03442	3.6
257.02832	6.5
261.09109	34.7
271.04504	20.0
275.04053	3.3
279.10217	6.0
369.04419	10.7
387.05594	22.6
391.11612	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	566.3186
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	3.3
55.05517	22.5
57.03441	4.0
59.05001	4.3
67.05504	8.9
69.03432	11.3
69.07066	10.8
71.04996	3.3
71.52043	3.9
73.02908	2.8
79.05492	5.6
80.58458	2.6
81.07069	14.1
81.39896	2.6
83.04998	6.7
85.02917	9.8
85.06557	8.8
91.05502	8.9
93.07076	13.3
95.04987	8.3
95.08622	12.6
97.02892	8.5
97.06573	3.5
97.10186	47.2
99.04510	2.5
100.11280	3.0
103.05488	9.2
105.03330	2.9
105.07041	9.9
107.04972	7.4
107.08615	10.7
109.02924	3.1
109.06537	7.5
109.10165	10.6
111.04459	14.4
111.08080	3.6
113.02427	2.9
115.05489	4.1
119.08593	9.0
121.06509	6.1
121.10136	8.2
123.04462	2.8
125.06113	2.9
125.09690	11.0
127.11244	3.7
131.04956	17.3
131.08591	3.9
133.10127	6.1
135.08047	7.3
135.11758	6.2
137.05975	10.8
141.01811	2.8
143.10701	10.5
145.10150	7.0
147.11714	5.4
149.06047	3.7
149.09636	4.9
151.11227	7.3
153.01831	4.0
153.09125	8.5
157.10184	2.7
159.11729	4.1
161.09650	4.7
161.73955	2.7
163.11238	9.1
165.09210	4.9
165.12807	4.5
167.07091	6.2
167.10713	4.3
173.09531	3.1
175.14908	4.1
179.10696	4.3
181.05048	3.2
181.12210	11.9
191.10701	2.5
203.08563	5.5
205.10170	8.3
223.13196	3.6
233.09601	4.5
237.18494	8.1
263.16522	10.4
281.17581	19.7
287.05536	10.6
288.05896	15.0
299.18619	4.1
306.31744	2.5
315.19830	2.7
333.20682	12.8
333.24268	5.7
339.12271	3.2
351.21704	100.0
351.25314	5.2
369.22739	10.8
406.40018	2.9
435.11148	2.7
449.72583	3.0
548.33252	3.7
566.20825	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	566.4424
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	27.5
57.03442	14.2
67.05512	100.0
68.83433	7.6
69.07071	36.5
71.52006	13.4
79.05476	38.2
81.07068	90.7
81.48611	7.9
83.08620	16.7
91.05492	29.6
93.07050	47.2
95.08607	58.6
95.59943	7.1
105.07033	14.0
107.08596	33.1
109.10159	13.2
119.08592	14.6
121.10161	22.5
133.10175	18.1
135.11717	12.2
139.75386	8.3
149.13239	18.3
159.11713	17.5
223.28156	8.4
269.17538	74.6
337.27457	70.0
531.40448	96.0
566.47388	11.0
566.55109	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	566.4422
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26193	7.3
53.03899	8.6
55.05510	32.1
56.56145	6.4
57.03430	14.4
67.05511	96.9
68.85624	8.9
69.07064	28.5
69.31383	72.8
71.04977	11.1
79.05511	39.2
81.07072	97.1
82.48614	8.7
83.08608	22.0
91.05499	35.7
93.07037	59.2
95.08618	100.0
105.07030	28.9
107.08611	29.3
109.06510	8.9
109.10173	31.2
119.08607	37.8
121.10152	21.1
123.07961	8.8
131.08588	14.1
133.10153	30.3
135.11700	16.5
145.10220	7.4
149.13248	9.7
161.13243	24.3
179.14256	8.8
253.17992	29.3
261.22202	15.0
271.19058	34.9
310.31104	9.7
311.31342	9.0
335.25827	81.7
388.18863	8.5
430.28256	8.8
513.39166	9.5
531.40314	17.1
566.55475	17.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.2449
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82987	4.0
53.26233	3.9
55.05512	7.6
56.57671	3.8
67.05494	13.8
69.03424	14.1
69.07066	13.3
70.63364	9.1
71.04991	5.2
79.05492	13.8
79.92564	4.6
81.03411	7.9
81.07060	17.3
83.05000	43.8
83.07755	4.2
85.02895	6.6
89.68459	3.9
91.05486	17.4
93.07063	22.2
95.04971	14.5
95.05771	4.3
95.08601	8.3
97.02929	4.2
97.06526	32.4
99.04472	7.5
103.05495	10.3
104.41140	3.8
105.07037	41.1
107.04967	10.2
107.08620	13.3
109.02939	5.8
109.06511	13.2
109.10147	5.9
111.08106	26.1
117.07008	8.2
119.04928	11.8
119.08593	13.0
121.06509	31.9
123.08051	6.6
125.05994	54.4
127.07535	5.4
129.06978	6.2
131.04936	25.1
131.08582	13.7
132.05226	9.2
133.06483	6.3
135.11646	5.1
137.05988	10.2
139.07576	10.8
143.07042	42.5
143.08517	7.2
144.09296	5.6
145.06505	5.3
145.10161	58.9
149.05980	4.3
151.07545	9.5
157.08623	12.7
158.07292	4.8
159.08110	7.2
159.11699	29.7
161.13225	6.7
163.07594	4.8
163.11218	23.9
167.07076	19.1
169.10127	8.2
173.09605	43.2
177.12721	7.1
181.04892	5.3
187.11209	52.9
189.12825	7.3
191.10728	14.2
197.09692	9.2
205.12271	52.5
209.11757	6.8
213.06693	5.8
215.10703	61.5
220.09641	11.4
223.08710	6.7
223.13284	10.4
233.11763	61.6
251.08217	19.7
251.12785	36.4
253.09642	11.1
265.05811	4.3
267.07495	4.8
267.11282	8.2
269.13806	16.8
279.07684	21.3
280.08566	5.6
281.09128	28.8
282.09888	5.6
287.05576	8.2
288.05881	11.4
295.10825	14.3
309.08719	12.7
310.09641	6.0
315.09668	21.1
325.11838	7.4
341.11261	27.0
347.12482	8.4
351.21799	9.7
368.10080	33.9
369.10846	100.0
369.15005	4.5
387.11719	14.3
400.12750	25.7
401.13449	12.2
506.18881	6.6
534.18835	27.3
566.21161	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	566.245
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	6.4
55.01881	6.9
56.61662	4.6
57.03442	4.5
60.01912	4.2
62.12222	4.5
66.78741	4.2
67.05498	11.5
69.03416	12.1
69.07065	14.6
70.43308	16.0
71.04980	5.8
71.13869	4.6
77.75636	3.8
79.05488	13.3
80.68764	4.4
81.03433	5.8
81.07051	15.5
83.04990	40.2
85.02911	12.4
91.05479	20.9
93.07071	22.6
95.04976	13.3
95.08617	11.5
97.02903	7.1
97.06532	33.0
99.04462	10.2
103.05468	17.3
104.05780	6.5
105.07030	43.8
107.04931	11.3
107.08617	13.7
109.06515	15.3
111.04456	4.7
111.08090	14.2
117.07048	8.5
119.04955	11.5
119.08601	14.8
121.06505	22.5
125.06004	60.2
131.04910	24.5
131.08569	13.2
132.05270	4.6
133.02846	7.4
133.06523	5.2
133.10219	7.2
137.05995	18.5
137.09528	4.6
138.09161	7.3
139.07527	5.7
143.07053	40.2
143.08459	5.8
144.09326	5.6
145.06497	8.9
145.10129	66.9
147.11696	6.5
149.05989	6.7
151.07553	8.1
154.07898	4.6
157.08656	8.0
159.11723	27.5
162.63115	4.5
163.11192	32.3
167.07060	19.6
168.07362	6.4
169.10216	10.1
173.09657	37.8
174.09023	6.0
177.12784	9.8
181.04967	7.4
187.11195	51.6
191.10658	13.5
197.09668	5.6
205.12221	61.3
215.10672	69.4
220.09752	13.4
223.08594	8.9
223.13272	7.3
225.10208	8.0
226.07339	5.0
233.11726	81.2
235.08815	5.6
251.08238	18.5
251.12744	40.3
252.08905	7.5
253.09772	16.7
267.07599	6.6
267.11322	12.8
269.13895	13.8
279.07712	32.7
280.08453	5.3
281.09201	24.8
287.05557	10.9
288.05930	16.1
293.09076	5.9
295.10733	20.6
309.08823	10.8
315.09802	20.1
325.11908	7.4
341.11325	34.8
347.12399	18.4
351.21564	9.4
368.10046	31.6
369.06619	8.3
369.10919	100.0
369.15173	8.7
369.22855	5.8
387.11935	14.8
400.12964	25.4
401.13425	12.5
534.18750	25.6
566.21240	23.8
572.17993	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	566.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	5.1
55.05513	8.6
63.46113	5.5
67.05508	12.0
69.03420	14.7
69.07066	23.2
70.58910	15.6
70.59264	3.9
71.05000	5.6
74.09285	4.2
79.05492	23.8
81.03432	7.2
81.07034	11.1
83.04990	72.5
85.02903	9.5
86.09702	5.6
87.43183	5.1
91.05489	20.3
93.07043	17.7
95.04976	13.3
95.08608	9.3
97.02901	5.4
97.06534	52.9
99.04475	10.4
103.05447	6.5
105.07041	77.3
107.04980	9.8
107.08582	21.0
109.06512	16.1
117.07005	10.4
119.04945	7.2
119.08594	15.6
121.06535	41.6
121.10169	6.9
125.05996	100.0
130.07744	6.0
131.04935	14.2
131.08537	23.2
133.06465	10.0
133.10173	6.5
137.05957	5.8
143.07053	99.6
143.08333	5.9
143.08577	5.2
145.06538	11.8
145.10127	98.2
151.07585	24.2
158.07272	9.2
159.08031	13.4
159.11687	43.8
161.05760	4.6
163.11168	24.7
167.07043	5.9
169.10127	9.3
173.09618	68.1
177.12715	12.6
187.11176	67.4
191.10678	31.8
197.09653	13.1
205.12257	78.0
209.11746	9.1
215.10675	78.4
223.13335	10.3
227.22862	5.0
233.11763	86.0
251.12758	50.2
260.16727	5.3
279.32153	4.5
287.05441	7.5
288.05884	8.0
465.56818	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	566.2451
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	8.4
55.01867	6.0
55.05505	11.9
56.91726	4.0
57.03433	4.7
63.82884	4.2
67.05492	12.5
69.03421	9.8
69.07068	26.9
69.57742	25.6
70.42466	3.8
71.04992	7.4
73.02911	5.8
76.03992	10.5
79.05505	24.2
81.03425	6.0
81.07063	26.2
83.04989	37.2
83.08596	5.8
84.08159	5.9
85.02895	13.5
85.06543	4.9
88.60631	4.1
91.05464	23.9
93.07053	32.1
95.04965	13.8
95.08604	17.4
97.02894	7.6
97.06536	42.4
99.04427	7.9
100.11275	29.9
103.05456	4.1
105.07045	49.2
106.07370	4.9
107.04955	15.6
107.08598	19.3
109.06531	24.9
109.10140	7.4
114.09183	4.5
117.07006	16.0
119.04929	12.6
119.08549	11.7
121.06526	40.2
121.10086	4.8
123.08098	4.7
125.06011	61.9
127.03885	4.9
129.06998	4.4
131.04945	12.6
131.08568	14.6
133.06445	13.5
133.10083	7.1
135.04324	5.8
135.08049	7.7
135.11694	13.0
137.05972	22.0
139.07552	10.1
143.07050	49.8
143.08197	6.8
143.74947	4.0
144.09361	5.4
145.06505	8.6
145.09056	6.6
145.10133	73.9
147.08052	6.6
147.11691	16.3
151.07561	7.7
154.07744	4.5
157.08594	13.0
158.07184	5.2
159.08066	6.6
159.11693	32.4
161.09590	5.3
163.11179	65.5
165.12738	4.7
167.07034	5.8
169.10178	6.8
173.09630	57.9
175.07613	4.7
177.12793	10.5
181.12254	6.6
182.15341	9.2
183.13747	9.2
187.11194	47.9
189.09071	4.0
191.10754	20.3
197.09598	17.3
205.12244	34.5
207.13776	6.3
209.11725	4.9
210.14919	7.4
215.10689	78.4
223.13293	5.8
227.12799	8.0
233.11737	100.0
251.12842	62.1
269.13928	6.4
282.20679	9.6
287.05466	13.8
288.05701	22.0
351.14398	16.1
369.15433	5.7
548.41748	5.9
566.42725	32.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.4043
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00696	2.0
53.03948	5.8
55.05507	7.3
57.07067	8.1
63.93814	1.9
65.03928	2.7
67.05505	19.4
69.03420	4.7
69.07077	12.8
69.50539	15.5
72.42464	2.0
74.69727	2.2
77.22499	2.7
78.88217	2.0
79.05503	16.3
79.05891	2.9
81.06645	3.1
81.07065	26.7
83.08618	4.7
85.06536	3.2
91.05491	31.3
93.07048	28.2
95.04949	4.0
95.08618	26.5
103.05466	3.1
105.07037	58.0
107.08598	26.1
109.06491	3.3
109.10179	18.7
115.05465	3.0
116.00058	2.1
117.07044	10.4
119.08588	56.3
121.06491	2.3
121.10156	36.2
123.08076	8.9
123.11730	7.2
128.06258	5.8
129.07016	10.4
130.07777	6.7
131.08589	18.2
133.06573	2.6
133.10152	28.9
135.08035	5.0
135.11699	14.7
137.09654	5.2
138.10582	2.1
141.06992	6.7
142.07787	18.0
143.08580	20.3
144.09311	3.7
145.10136	31.4
147.08076	6.6
147.11711	10.9
149.09641	4.4
151.07574	5.0
153.07005	3.5
154.07841	2.7
155.08580	13.1
156.09381	9.9
157.10152	35.2
158.10954	4.3
159.11707	17.9
161.09599	4.0
161.13309	5.3
163.11191	4.8
165.07047	4.3
165.09097	10.6
167.08583	6.1
167.10730	6.7
168.09427	5.5
169.10152	14.5
170.10965	7.9
171.11684	15.5
173.13286	18.8
175.11203	3.2
175.14775	4.9
177.09131	2.3
179.08582	7.5
180.09354	5.2
181.10155	11.2
181.12285	7.0
182.10950	7.9
183.11711	16.8
184.12437	2.7
185.13251	11.7
187.14905	6.0
189.12743	4.0
191.14342	3.8
192.09447	5.3
193.10065	12.1
194.10919	8.2
195.11717	14.2
196.12549	4.5
197.13391	14.9
199.14845	8.7
203.08537	2.1
203.14307	5.0
203.17899	2.1
205.10165	3.4
206.10915	7.1
207.11752	11.9
207.13684	4.2
208.12517	6.5
209.13251	16.4
210.13919	3.4
211.14865	8.9
213.16432	5.7
217.10266	2.6
218.10939	3.2
219.11746	5.4
220.12576	4.2
221.13297	11.3
221.15442	26.4
222.14059	3.9
223.14900	10.3
225.16484	2.9
231.11804	5.7
232.12672	3.8
233.13326	6.1
234.14108	2.4
235.14777	7.1
236.15834	2.4
237.16393	6.7
239.17960	3.7
245.13298	5.7
246.14114	6.2
247.14783	5.3
247.17088	2.6
249.16412	5.0
251.18022	4.1
253.19490	3.9
259.14880	6.4
261.16412	6.8
263.18011	5.0
265.19528	7.1
273.16327	2.9
275.17932	4.8
277.19556	6.6
282.27982	6.6
287.05664	9.5
287.17719	4.4
289.19559	4.9
290.18652	2.4
309.32516	2.8
310.31183	6.5
315.21133	3.5
331.24307	5.3
357.25897	4.6
407.29208	3.3
451.30823	2.3
473.34149	11.8
477.69916	2.7
491.32962	3.0
529.38177	3.2
547.39545	9.7
565.40405	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.198
Annotation	Unknow
Peak:m/z	Relative Intensity
56.93212	1.7
56.96570	18.1
57.03429	8.6
59.04991	2.1
61.02915	5.3
61.56665	1.4
69.03437	21.4
69.07059	1.7
69.25188	13.4
71.01348	9.2
71.05000	3.9
72.08166	3.1
73.02923	4.5
77.37124	1.8
81.03413	5.4
82.99859	4.5
84.41000	1.5
84.96030	11.7
85.02443	2.3
85.02919	35.9
85.47599	1.9
87.04481	6.2
91.05489	2.7
92.43015	1.6
97.02903	25.2
98.06066	1.8
98.96942	2.6
98.97592	49.2
99.04455	4.9
101.00886	23.1
103.00655	2.6
107.08614	1.5
109.02885	2.6
110.97562	15.0
111.04432	1.6
112.99165	4.8
113.00841	2.4
113.02378	3.2
115.03955	2.7
116.98612	15.4
119.01923	29.8
119.04969	2.0
121.01670	2.6
121.02827	1.7
121.06509	2.5
124.99092	2.1
126.97109	1.8
127.02356	1.8
127.03923	10.7
128.98618	12.0
129.01874	4.9
130.02222	1.9
131.00163	3.3
131.01936	7.7
131.03474	1.8
133.01685	3.7
137.06018	6.4
139.03918	3.2
140.98611	2.1
143.00165	3.9
143.01907	94.9
144.02046	2.9
144.98106	2.7
145.01656	6.7
145.03500	6.6
145.04930	9.7
146.99648	6.8
147.01477	1.9
147.03259	2.0
147.04396	4.6
155.01915	8.5
155.05589	3.9
156.98088	4.7
157.01591	2.7
157.03526	6.7
158.99687	16.2
159.03137	2.1
159.05136	1.7
161.01320	5.1
161.02966	100.0
163.02682	3.9
167.05789	1.7
167.07114	5.8
168.98141	2.5
170.99648	4.9
171.05013	5.2
173.01324	3.0
173.02988	9.5
173.04477	2.6
173.06566	8.1
174.06755	1.9
174.99167	6.3
175.02861	2.9
175.04494	5.0
175.06372	5.7
177.00682	10.3
177.04135	3.2
177.05524	3.1
181.03534	7.5
182.99655	2.6
183.05017	2.8
184.04471	3.7
184.97624	2.4
185.02951	3.3
185.06590	9.5
186.99127	5.0
187.06363	6.8
189.00693	6.6
189.04398	2.0
192.04643	9.5
195.05040	8.1
197.06590	12.4
199.04523	22.7
201.00717	4.0
202.98639	2.7
203.02295	3.4
203.04044	33.0
208.55051	1.6
210.54341	1.8
211.04559	7.0
213.00687	2.3
213.06107	4.6
214.98599	3.4
215.07596	4.4
217.00331	3.1
217.05609	3.7
219.01764	17.8
221.05025	3.3
223.01068	2.1
223.04419	7.7
227.07655	5.8
231.05359	2.0
233.06773	3.3
237.02777	15.1
239.04385	2.4
241.05615	20.4
253.54031	1.7
256.05344	2.4
259.06580	7.5
273.56525	1.6
275.09857	3.6
277.09741	5.4
279.03903	3.0
287.09821	5.7
290.19144	1.7
291.07599	2.4
292.07019	1.8
293.10831	6.3
295.07523	2.3
295.10690	8.3
301.07626	13.5
303.08945	2.0
304.04672	1.9
304.08099	1.9
305.10672	4.5
305.58673	1.9
309.08496	7.2
319.08798	17.4
321.04871	2.3
333.04935	2.0
337.09872	10.3
343.03177	2.2
345.01257	3.9
361.09875	29.8
363.10754	1.6
379.10913	11.6
380.10953	2.7
417.07602	2.9
463.12646	1.7
519.06342	1.7
533.05188	9.6
547.06897	2.4
565.07849	61.5
565.19525	30.9
566.07837	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1902
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.5
61.26394	1.2
62.16414	1.1
66.92654	1.1
67.05511	2.7
69.03452	2.3
71.51276	1.1
71.51752	2.1
73.02911	1.7
79.05499	1.7
80.09719	1.2
81.03415	1.4
81.07065	2.9
83.04980	1.7
85.02940	1.9
86.09737	1.4
91.05492	2.8
93.07053	2.1
95.08591	1.4
97.02905	1.3
103.05507	1.6
104.46322	1.4
107.08604	3.2
109.06511	1.4
110.56638	1.3
115.66737	1.3
116.20535	1.2
119.08625	1.4
121.10169	1.9
127.78075	1.1
131.04945	2.9
135.11731	1.5
149.02351	4.9
167.07002	1.3
184.07413	2.6
205.19568	1.4
245.08018	1.8
275.10934	2.3
287.05539	17.5
288.05707	1.6
317.13641	16.2
343.10242	1.2
345.13184	4.4
461.18457	1.4
473.09872	1.5
479.19043	17.2
521.20032	65.6
565.19006	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1553
Annotation	Kapinnatoside
Peak:m/z	Relative Intensity
57.03426	0.6
57.50655	0.2
58.20965	0.2
61.02922	1.0
69.03393	0.4
70.64065	0.7
71.04974	0.4
73.02510	0.4
73.02919	6.6
73.79704	0.3
83.38142	0.3
85.02890	0.9
96.03562	0.2
115.03922	0.5
121.02892	1.1
129.05470	0.3
137.02312	0.5
153.01849	1.9
165.01886	1.0
191.25891	0.3
213.05482	0.4
234.89021	0.3
241.05011	0.3
258.05289	0.5
287.05511	100.0
288.05905	1.2
433.11276	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	565.1554
Annotation	Kaempferol 3-rhamnosyl-(1->4)-xyloside
Peak:m/z	Relative Intensity
52.40070	0.6
55.01871	0.9
57.03444	4.0
59.14774	0.6
69.03434	4.2
70.42266	1.7
71.01363	1.3
71.04996	23.1
73.02921	3.6
79.95342	0.6
83.04966	2.2
84.68404	0.6
85.02908	29.7
89.66885	0.8
97.02906	4.1
99.04451	1.6
103.05472	1.3
107.04924	0.7
111.04443	1.6
115.03921	2.5
117.05461	0.7
121.02881	4.8
129.05476	7.9
131.04913	2.9
137.02315	0.9
139.03888	0.6
141.16599	0.6
142.90099	0.7
147.04398	1.1
147.06517	3.2
153.01825	2.7
157.06522	0.9
165.01843	1.5
183.03017	0.7
195.08391	0.6
213.05487	1.3
225.07452	1.4
226.90404	0.7
233.78824	0.7
241.04919	1.0
258.05264	0.8
259.06033	0.7
262.36227	0.6
283.06036	0.8
287.05511	100.0
288.05960	0.8
290.97626	0.6
299.05566	6.7
300.06448	1.0
311.05536	1.6
313.07065	1.6
325.07147	1.6
329.06503	6.2
337.06940	1.9
353.06635	3.9
365.06573	2.9
383.07639	6.4
401.08649	3.7
419.04556	1.0
419.09769	10.0
423.65421	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1557
Annotation	Kapinnatoside
Peak:m/z	Relative Intensity
51.84520	1.2
53.03948	3.5
54.32442	1.2
55.01870	3.2
55.05510	3.0
57.03439	9.9
59.62911	1.6
61.02903	2.1
67.05494	2.7
68.99821	2.3
69.03439	12.6
69.35612	1.3
70.06577	1.6
70.52560	3.8
71.01347	1.9
71.04981	2.7
73.02928	15.7
75.04493	6.5
79.05496	2.3
81.03415	3.9
81.07069	2.2
83.04985	10.2
85.02914	12.5
87.04465	1.2
91.05489	6.5
93.07059	2.9
95.04963	3.9
97.02911	10.1
99.04454	1.7
99.99274	1.2
103.04802	2.5
103.05473	38.0
105.07035	3.1
107.04949	2.7
107.08618	2.6
109.10154	1.5
111.04455	17.4
113.02380	1.8
115.03937	5.9
115.05493	1.4
117.90034	1.3
119.08509	1.2
120.08144	1.8
121.02865	6.0
123.04444	2.0
123.08144	1.5
125.05987	1.6
127.03954	1.8
129.05482	3.9
131.04941	86.2
133.02867	1.6
135.04445	2.1
137.05957	2.9
141.01784	2.7
147.04404	3.0
149.06000	1.7
151.03905	1.5
153.01848	3.4
163.07523	1.3
165.01842	2.6
165.05399	1.2
167.07053	8.1
169.05087	1.7
178.67917	1.6
181.04938	4.0
191.07054	1.8
202.07933	1.6
203.08543	1.5
231.08183	1.9
277.08496	2.0
283.06204	1.7
287.05511	100.0
299.05411	7.6
311.05505	2.2
325.07150	4.4
329.06589	14.7
329.10147	2.5
341.06451	2.1
351.08752	1.9
353.06619	9.0
379.08032	3.2
397.09097	11.5
403.22821	4.7
415.10022	3.2
433.11456	11.0
565.20795	1.9
565.28180	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	565.1085
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.2
56.96302	1.9
56.96569	31.9
57.03428	2.3
69.03430	3.6
69.14663	10.7
71.01360	2.1
71.95260	1.6
84.95537	1.4
84.96043	27.1
85.02898	4.8
87.04462	2.6
97.02911	4.9
98.97595	78.2
100.97031	1.0
102.97063	1.8
110.97581	54.8
112.99149	13.6
113.02396	1.1
114.09531	0.8
115.00706	3.4
116.98618	13.2
122.38201	0.8
124.53588	0.9
124.99110	5.9
126.97053	3.8
127.00642	2.0
128.98619	29.2
129.01866	2.5
130.24879	1.0
131.00191	8.7
133.01743	10.0
134.99649	1.7
138.97032	3.9
140.98633	5.4
143.00192	9.8
144.98065	6.4
145.01749	1.3
145.04935	1.2
146.99655	6.6
149.01244	1.1
150.97032	1.8
151.02673	1.1
152.00388	1.0
152.98624	8.9
156.98083	10.0
157.01729	2.8
158.98335	1.3
158.99677	23.9
159.03302	1.3
161.01205	7.2
162.99129	2.4
168.98122	4.3
170.99663	12.1
173.01204	1.4
174.99174	7.9
175.02794	12.2
177.00714	9.9
177.04333	1.9
179.02312	2.6
182.99710	1.9
184.97621	1.8
186.99196	3.3
187.02791	1.6
189.00731	3.2
191.02321	1.4
193.03879	3.2
196.97600	2.6
198.99156	1.2
199.97414	0.9
201.00711	13.2
201.04370	1.1
203.02275	1.2
214.98679	3.7
217.03874	7.1
219.01790	60.2
221.05066	1.3
229.03972	2.2
232.38692	0.9
232.99745	2.0
235.04935	2.9
237.02855	46.8
247.01416	1.4
255.03947	1.3
259.04913	0.9
260.99142	1.6
277.05981	41.6
277.09052	2.2
279.56009	1.1
280.14435	1.0
293.05292	1.7
295.07031	100.0
296.07187	2.2
305.05499	9.1
318.08664	2.0
321.10425	1.5
323.06488	33.6
327.00479	1.7
333.04742	1.4
337.08099	5.3
342.55112	1.6
345.01511	4.8
347.06802	1.7
363.06012	2.4
365.07538	2.7
377.07709	6.6
389.07635	16.7
398.92792	1.1
405.07220	6.9
407.08646	2.4
425.09702	2.8
435.08203	2.0
447.07919	1.1
463.06113	1.1
475.07785	1.4
495.10303	1.7
505.08063	1.6
565.10730	36.1
565.18365	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.4268
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43460	2.6
53.03949	6.1
53.46107	2.7
55.05524	25.9
57.03449	18.3
57.07069	7.0
64.42559	2.7
65.03965	3.0
67.05516	100.0
67.05877	5.2
69.06786	2.7
69.07084	26.2
69.54345	20.4
71.05021	3.5
79.05073	4.3
79.05506	58.1
81.06595	5.1
81.07072	97.5
83.05008	5.7
83.08631	18.8
85.06538	4.8
91.05486	35.5
93.06487	5.7
93.07059	78.3
95.04964	7.8
95.08054	4.5
95.08617	47.9
97.06527	7.4
99.08094	5.1
105.07044	20.0
107.08609	39.0
109.10184	15.0
111.08101	6.8
117.07027	11.3
119.08608	19.2
121.06532	5.7
121.10161	29.9
123.11774	3.6
125.09597	3.7
128.57626	2.7
131.08597	15.3
133.06537	7.3
133.10136	12.6
135.08060	4.2
135.11728	15.2
145.10129	4.7
147.11685	10.3
149.09683	3.4
149.13283	32.4
159.11661	14.4
161.13419	4.3
173.13225	3.7
175.11238	13.5
177.12779	53.7
195.13850	8.9
207.13786	3.6
219.13882	35.4
241.12210	9.1
243.21030	5.2
247.22856	2.8
261.22137	10.0
269.17545	73.0
271.13181	3.5
327.19562	8.2
335.22031	5.6
335.25876	76.4
439.86557	3.3
467.53723	3.1
529.38965	88.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.2657
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01592	1.8
53.03940	2.4
54.40300	1.9
55.05500	2.9
57.03438	1.7
59.04994	2.8
64.53963	1.9
67.05494	4.3
69.03419	5.2
71.32269	3.2
79.05514	2.6
81.03405	2.5
81.07048	6.6
83.04996	18.2
85.02893	6.3
85.06551	2.5
86.09715	2.0
91.05482	13.8
93.07018	7.7
95.04959	5.1
95.08592	5.3
97.02879	4.6
99.04443	3.2
103.05473	2.4
105.07034	19.2
107.04953	3.6
107.08603	6.3
109.06493	3.6
109.10139	3.4
114.56778	2.0
115.05460	2.9
117.07035	3.9
119.08594	11.0
121.06485	4.1
123.04440	2.2
123.08027	3.1
127.03902	2.5
128.06238	5.7
129.07021	3.7
131.04898	5.5
131.08560	14.3
133.06459	2.2
133.10106	19.3
135.08083	2.7
137.05943	2.3
137.09641	3.9
141.07030	2.0
142.07780	2.7
143.08568	17.0
145.06456	5.2
145.10138	8.2
147.04401	1.8
147.08047	7.8
147.11613	2.7
153.09190	2.4
155.08563	2.3
157.10103	5.5
159.08060	14.6
159.11676	4.4
161.05856	2.1
161.09627	66.2
163.07509	1.9
165.09094	4.4
168.09419	2.1
169.10139	1.9
171.08020	6.5
171.11758	2.0
173.09604	2.6
173.13254	8.2
177.09163	12.3
183.11722	4.4
187.11055	2.4
189.09160	26.2
189.12709	2.8
191.10634	2.4
191.14265	2.3
199.11197	4.1
201.12759	24.2
203.14359	3.0
207.10141	13.0
211.11226	4.1
217.12289	5.4
219.13770	7.8
229.12274	24.2
231.08043	2.0
235.13330	2.7
235.16917	3.7
247.13316	23.4
249.11240	4.6
253.17892	2.2
265.14371	5.9
268.59314	1.8
283.15421	2.8
287.05469	7.5
289.14456	4.6
307.15387	6.7
317.06537	3.6
325.16391	4.0
331.22849	2.0
338.06613	1.8
349.23773	2.9
367.17560	100.0
385.18814	2.4
488.84296	2.0
494.94003	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.3948
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02394	1.4
53.03947	3.3
55.01867	1.5
55.05516	17.1
57.03440	9.4
57.07078	2.8
61.42610	1.3
65.03937	4.9
67.05508	80.1
69.03411	1.9
69.07071	21.2
71.01321	2.9
71.01648	1.3
71.04997	4.2
71.91301	1.3
73.93038	1.1
79.05496	42.2
81.03444	1.6
81.07062	100.0
83.04985	6.0
83.08615	10.4
83.17203	1.2
85.06551	2.8
91.05488	34.6
93.07050	45.0
95.04980	5.8
95.08617	54.3
97.06555	6.9
97.10139	1.6
105.07037	42.0
107.08595	32.1
109.02859	1.6
109.06522	4.6
109.10159	20.9
111.08096	1.7
117.07007	6.8
119.08593	30.2
121.10150	31.6
123.08063	4.6
123.11711	26.7
125.09686	1.8
127.03925	1.4
127.07555	1.9
131.08583	10.3
133.10155	12.2
135.11700	14.3
137.13287	4.2
145.10152	9.4
147.11693	52.6
149.09630	2.0
149.13243	8.7
151.11177	1.4
157.10143	3.2
159.11659	8.8
161.13303	6.9
162.70268	1.5
163.11247	1.8
163.14812	4.5
165.12773	25.1
173.13274	5.9
175.11272	2.3
175.14859	1.9
177.16467	2.1
183.13820	3.2
187.14798	3.0
193.12283	1.8
201.16241	1.7
218.27989	1.3
223.64207	1.4
228.13023	1.8
229.14374	5.3
233.22752	1.7
243.21129	7.5
251.18341	1.5
258.42145	1.3
261.22171	40.5
267.15921	34.6
279.23090	6.5
285.16971	36.0
317.24731	9.7
335.25827	55.7
353.26923	2.4
453.33823	2.8
471.34750	4.3
498.44287	1.4
511.90698	1.7
527.37390	4.8
545.38361	18.7
563.39136	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	563.395
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.5
55.01870	2.1
55.05270	1.1
55.05515	12.1
57.03440	7.8
57.07061	2.9
65.03933	2.6
67.05507	59.4
69.06729	1.4
69.07068	16.9
70.37768	0.9
71.04972	2.8
71.08634	1.2
79.05494	36.8
81.03400	1.5
81.07058	100.0
83.04975	6.4
83.08617	8.7
85.06537	7.2
91.04909	1.6
91.05479	32.4
93.06417	1.0
93.07042	40.1
95.04956	3.5
95.08609	48.7
97.06522	6.3
97.10165	2.5
99.08073	3.8
101.06052	1.7
105.04522	1.3
105.07034	33.6
107.08598	24.0
109.06545	4.9
109.10157	20.1
111.08087	2.0
115.05426	1.4
117.07041	4.7
119.08583	29.1
121.10147	25.4
123.08060	3.6
123.11704	28.6
127.07509	2.6
127.30433	1.1
129.07002	1.5
131.08574	10.5
133.10162	9.9
135.08072	1.2
135.11700	11.2
137.13257	4.3
139.11180	1.5
145.10123	8.9
147.11696	48.6
149.09691	1.0
149.13248	6.8
157.10089	3.1
159.11662	5.3
161.13222	4.2
163.14819	3.5
165.12769	24.5
169.10127	1.2
171.11763	1.3
173.13243	4.1
173.14716	0.9
175.11185	2.1
175.14879	1.3
177.16402	1.3
179.14319	1.1
183.13834	2.7
185.13330	1.4
187.14861	3.4
193.12254	1.1
229.14369	5.7
233.22696	2.0
243.21036	6.5
261.22141	31.9
267.15927	33.7
279.23218	5.0
285.16974	35.8
287.69122	1.0
317.24860	7.0
335.25806	37.4
353.26871	2.9
374.16705	1.0
442.34332	1.0
449.46783	1.3
453.33557	3.4
471.34485	3.9
495.03012	1.2
527.37183	3.9
545.38354	14.4
563.39380	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	563.3946
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.7
53.93756	1.1
55.05516	13.0
55.21767	0.9
57.03436	7.2
57.07084	1.6
65.03944	3.5
67.05511	64.0
68.59206	1.2
69.07073	16.6
70.07704	4.3
71.04989	2.8
77.09542	1.1
79.05499	35.2
81.07064	100.0
83.04975	4.2
83.08630	10.1
85.06547	4.0
88.45293	1.0
91.05494	32.2
93.07053	35.6
95.04976	3.6
95.08614	41.6
97.06529	6.8
97.10182	3.4
98.21413	1.4
98.80048	1.0
99.08091	2.7
105.07037	37.7
107.08602	24.1
109.06526	6.3
109.10159	21.2
113.06046	1.2
115.94324	1.2
117.07028	4.5
119.08595	26.1
121.09330	2.1
121.10158	29.2
123.08075	4.0
123.11717	27.8
124.87870	1.2
125.09648	1.7
127.07584	2.3
127.11211	1.2
129.07079	1.3
129.34459	1.1
131.08582	10.4
133.10158	10.0
135.11694	10.6
137.09648	1.3
137.13278	4.4
145.10147	9.1
147.11697	52.5
149.13254	5.7
157.10153	1.5
159.11685	5.6
161.13271	2.9
161.27264	1.0
163.14815	4.6
165.12766	24.8
173.13271	6.1
175.14769	1.8
177.16399	1.6
178.06297	1.3
183.13814	3.6
187.14836	2.7
193.12286	2.7
195.11707	1.1
195.13673	1.3
201.16466	1.6
229.14372	6.3
241.49567	1.0
243.21161	7.2
261.22192	32.9
267.15942	38.8
279.23132	5.8
285.16989	37.0
291.23520	1.2
317.24811	6.7
335.25821	40.2
353.26898	3.5
367.29523	1.2
453.33685	3.6
461.18469	1.4
471.34756	4.8
527.37103	4.6
545.38403	16.7
563.39081	5.2
583.23224	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.3947
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	5.4
55.01868	8.5
55.05517	30.1
57.03427	10.2
60.18573	2.5
65.03945	4.6
67.05509	91.3
68.15769	2.7
69.03430	5.0
69.07073	20.3
70.56852	8.7
71.04992	6.8
79.05071	5.0
79.05498	50.6
80.00149	2.6
81.03432	18.5
81.07057	100.0
83.04970	16.4
83.08618	22.3
85.02918	6.9
85.06532	5.7
85.57529	3.0
86.71674	2.6
91.05481	48.5
93.07047	56.0
95.04943	15.3
95.08614	57.6
97.06532	12.6
97.10165	12.0
105.07036	35.1
107.04946	5.8
107.08604	35.7
109.06519	6.1
109.10166	34.9
111.04442	6.7
111.08096	8.0
117.07021	15.5
119.08585	32.4
121.06576	3.6
121.10164	31.8
123.08065	4.5
123.11714	15.7
125.09617	9.1
129.06996	10.4
131.08571	28.7
133.10136	27.3
133.17702	2.7
135.08101	5.2
135.11739	22.6
137.09711	3.6
137.13194	4.7
139.11238	3.7
143.08577	9.3
144.73683	3.0
145.10138	24.7
147.08083	4.1
147.11691	21.7
149.09564	6.3
149.13266	10.1
151.11153	3.9
153.12811	5.2
155.08566	4.5
157.10178	15.2
159.11722	12.1
161.13297	6.2
163.11160	4.7
163.14868	4.6
169.10133	6.3
171.11700	6.5
173.13281	15.0
175.11209	6.6
175.14882	3.8
181.10027	3.1
183.11693	5.4
185.13234	6.9
187.14769	5.6
189.11197	4.0
191.10692	4.0
193.12236	18.7
196.70801	2.9
199.14835	4.7
209.13345	3.4
211.13281	19.5
227.12827	8.0
229.14424	7.0
243.21037	5.6
261.22168	14.6
263.95706	2.5
267.15945	5.8
273.22031	3.8
275.20355	2.7
279.23224	4.6
285.17038	14.3
285.22125	3.8
299.23615	3.3
299.26944	3.1
303.23282	7.5
317.24887	4.1
335.25943	21.6
435.32599	7.2
453.33533	9.6
471.34415	12.0
487.34436	3.6
509.36404	3.3
527.37244	23.8
545.38373	57.8
563.39368	40.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.3946
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.9
55.05514	15.2
57.03443	6.7
57.07067	3.1
67.05508	63.4
69.03440	1.8
69.07068	13.8
70.06558	2.5
70.06920	3.8
71.04987	2.8
71.08613	1.3
79.05496	36.4
80.06269	1.1
80.14937	1.5
81.07059	100.0
83.04982	5.4
83.08631	8.3
85.06540	4.3
90.82259	1.1
91.05485	30.0
93.07048	38.6
95.04975	3.6
95.08611	45.5
97.06531	5.0
97.10147	3.2
98.21408	1.8
99.08095	3.5
104.06096	1.3
105.07035	35.9
107.08598	23.6
109.06513	3.5
109.10160	20.4
117.07007	5.3
119.08586	25.6
121.10147	27.9
123.08058	3.6
123.11715	25.0
125.02378	1.0
127.07554	1.2
129.06981	1.5
130.07828	1.1
131.08563	8.4
133.10150	8.9
135.11693	11.2
137.13255	4.3
143.08536	1.4
145.10162	5.5
147.11700	42.4
149.13275	6.6
157.10091	2.7
159.11726	5.8
161.13275	4.6
163.14848	3.7
165.12753	20.6
171.11678	1.2
172.97546	1.2
173.13268	3.7
175.11201	2.1
175.14793	2.1
177.16402	1.4
183.13878	2.6
187.14865	2.0
219.17342	1.5
220.17844	1.3
229.14319	5.4
237.46767	1.1
243.21069	7.8
261.22162	32.9
267.15930	32.4
277.21790	1.1
279.23108	4.3
281.69800	1.2
285.16968	34.3
317.24704	6.5
335.25839	50.6
353.26788	1.8
409.88522	1.2
453.33469	2.2
471.34546	2.8
520.84662	1.2
527.37177	3.3
545.38599	16.4
563.39117	3.6
563.48450	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.3947
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	8.2
55.01869	11.5
55.05516	39.5
57.03455	14.7
57.07096	4.4
59.05015	3.0
60.23823	3.4
60.69499	2.8
65.03958	4.9
67.05512	100.0
69.03435	5.7
69.07071	23.9
69.92319	13.9
71.04980	5.3
75.99562	2.6
79.05505	53.7
81.03426	22.6
81.07063	95.2
83.04993	15.9
83.08619	29.8
85.02914	8.5
85.06565	3.5
91.05492	48.6
93.07056	60.2
95.04971	18.7
95.07993	4.1
95.08610	73.2
95.09186	5.9
97.06535	13.6
97.10166	20.7
105.07040	49.9
107.04933	6.5
107.08605	42.9
109.06532	7.3
109.10165	39.5
111.04483	7.7
111.08101	9.8
113.09657	4.7
117.07048	18.5
119.08597	47.7
121.10162	25.7
123.08028	4.0
123.11691	14.6
125.09670	11.0
129.06993	15.0
131.08588	32.4
133.10162	32.4
135.11696	24.9
137.09624	4.7
137.13243	3.5
139.11250	4.8
142.32622	2.9
143.08571	13.5
145.10127	27.3
147.11682	21.5
149.09569	3.6
149.13304	11.8
153.12817	4.9
155.08607	7.2
157.10143	21.2
159.08107	3.8
159.11768	16.0
161.13261	10.1
163.11206	4.7
165.12837	4.4
169.10201	6.9
171.11708	12.5
173.13292	15.3
175.11220	9.1
175.14932	5.8
181.10278	4.5
181.12219	5.9
183.11694	6.1
185.13257	4.2
187.14807	6.5
189.11229	8.3
191.10687	3.1
191.39500	3.1
193.12254	23.1
197.13333	3.2
199.14751	8.3
208.62300	3.3
209.13448	3.8
211.13292	35.9
221.15395	3.5
227.12749	9.0
229.14093	3.8
233.15131	3.8
261.22266	18.3
263.20151	4.1
267.15964	4.6
279.23230	7.5
283.15332	3.7
285.17017	14.0
285.22125	5.1
303.23282	10.0
317.24905	7.0
335.25922	18.4
359.25803	5.2
435.32736	12.1
453.33521	11.6
471.34531	9.0
527.37390	29.5
545.30579	4.8
545.38379	68.5
563.26715	5.8
563.39368	30.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	2.5
55.01868	2.6
55.05519	12.1
57.03440	2.1
61.02937	1.9
67.05515	1.8
68.99776	2.1
69.03438	8.4
69.07076	2.4
70.94798	2.6
71.04984	1.1
81.03429	7.1
81.07062	3.9
83.04997	2.0
83.08627	17.7
84.98650	1.0
85.02915	20.8
85.68369	0.9
87.00840	6.6
89.24254	1.2
90.71205	1.2
91.05489	3.0
93.07031	1.8
95.04993	1.5
95.08607	3.0
95.54190	1.0
97.02908	4.7
99.04466	3.1
101.25410	1.1
103.03973	2.2
103.05462	1.5
105.01881	5.1
105.07024	3.4
107.04945	2.0
107.08635	1.8
109.02920	5.8
109.10146	1.8
117.06980	1.5
119.04925	1.2
121.06525	2.6
123.11743	8.7
125.05979	2.5
127.03957	12.7
128.06250	2.8
129.01889	1.5
129.06998	5.2
131.04955	2.9
131.08588	2.6
133.10150	1.4
141.06961	2.5
142.07790	3.0
143.08572	4.0
144.05731	2.7
145.04979	2.7
145.06474	4.0
145.10100	1.5
146.07275	2.0
147.02841	1.4
147.08147	1.1
149.06017	2.5
149.09621	2.0
155.08604	2.0
157.10118	3.1
158.07289	11.9
159.02907	2.9
159.08095	8.4
160.08867	3.3
161.09666	18.1
167.07098	1.7
169.60262	1.4
170.07361	1.3
171.08070	5.1
172.08862	10.2
173.09659	17.0
175.11137	5.9
175.47354	1.0
181.10144	2.0
183.08116	2.3
183.11723	1.9
184.08798	1.0
185.09641	12.1
186.10410	5.9
187.11229	17.9
189.03954	4.1
189.12718	2.2
193.06622	1.1
197.09645	1.2
198.10472	3.1
199.11214	5.6
200.11971	3.9
201.12773	100.0
203.10573	1.1
211.11221	1.7
212.11807	1.2
213.12791	20.6
215.14348	54.2
225.12709	2.5
227.10789	1.7
227.14346	9.6
231.05051	2.7
239.14310	1.2
241.15872	5.2
251.14159	1.1
253.07104	1.7
255.17378	1.4
267.17474	1.1
269.11813	1.6
282.19882	2.1
287.05432	2.3
297.22168	29.8
309.22214	1.5
312.88828	1.1
315.23218	17.0
321.22318	1.2
325.21570	2.5
327.23215	8.2
339.23087	1.1
355.68512	1.2
373.12997	1.5
509.25626	1.6
555.09003	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1457
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48659	0.9
56.96560	4.4
57.03430	2.7
58.99880	1.1
59.04995	1.9
61.02931	1.5
66.41925	1.3
68.98278	1.1
69.03423	8.6
70.31581	4.4
70.99879	2.0
71.01354	4.1
72.08168	2.1
73.02914	1.9
81.03411	2.4
82.99837	5.1
84.96049	3.5
85.02908	12.1
86.99343	2.2
87.04478	2.9
89.00903	1.1
91.05473	2.1
91.77071	0.9
97.01394	1.2
97.02901	9.1
98.97589	27.3
101.00890	31.4
109.02890	1.5
110.97585	9.0
113.00871	14.9
113.02362	1.8
113.04568	1.2
115.02431	6.0
116.98662	5.3
119.01929	26.2
119.02725	2.0
119.04977	2.0
126.97063	1.4
127.02421	2.3
127.03905	1.4
128.98633	4.8
129.01913	2.7
129.03969	3.0
131.00226	1.8
131.01915	22.7
131.03427	1.4
131.05551	12.1
133.03514	4.8
137.00903	2.7
137.05939	5.0
139.02411	2.0
139.56586	1.2
142.73976	1.2
143.01909	100.0
144.98132	1.8
145.01720	1.3
145.03479	9.7
145.04926	3.3
146.99722	1.4
147.01408	2.7
147.04268	1.9
147.05101	3.4
149.06583	7.7
155.01910	29.7
155.05534	6.1
156.02824	1.2
157.03499	3.6
158.99681	12.4
159.01396	3.4
159.05049	5.2
159.44627	1.2
161.02968	78.8
167.05577	1.6
168.98134	2.6
169.03551	1.4
169.07137	1.5
170.99673	3.5
171.01375	1.8
171.03270	1.2
171.05095	2.9
173.02963	20.2
173.06609	29.6
177.00708	5.5
177.06122	4.5
179.06955	1.7
184.04684	2.1
185.03044	4.6
185.04950	1.8
185.06607	33.8
185.08179	2.1
187.08200	4.8
189.00752	1.5
191.07690	6.8
192.04665	4.7
196.97559	1.2
197.03046	2.5
197.06604	3.2
198.99113	1.5
199.08153	3.7
201.00752	2.4
201.06120	2.3
202.98758	1.4
203.04050	11.1
203.07669	13.1
208.04982	2.1
209.06619	1.9
213.06125	1.4
215.07649	15.9
217.05490	2.6
219.01778	5.4
221.05090	15.6
227.07721	2.7
229.02100	1.4
231.03534	1.6
233.08786	4.8
235.03015	1.1
237.02887	5.0
245.05063	1.1
257.08783	7.0
275.09802	34.8
280.07187	1.8
288.06683	1.1
291.07642	3.2
293.10834	75.4
294.11133	2.3
303.09500	2.7
309.08652	6.5
311.07462	2.9
317.10815	1.6
321.10315	8.5
324.53943	1.1
329.04013	2.3
335.11691	1.5
341.27222	1.1
342.08466	1.4
343.07086	1.3
345.01361	1.7
352.07132	1.4
361.09790	3.2
368.08600	1.7
375.11359	2.6
383.08926	1.3
387.11584	2.2
391.09665	1.1
401.09366	2.7
403.01541	1.1
403.11029	3.5
405.12747	1.3
409.40961	1.3
415.09344	1.8
423.13525	3.0
433.10504	1.4
493.13647	2.4
563.14600	63.7
563.64740	1.1
564.14453	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.4154
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55056	1.1
51.02368	1.3
53.03949	6.9
55.01862	2.3
55.05514	26.3
57.03437	1.8
57.07064	1.7
59.05012	2.2
65.03943	4.7
67.05508	85.7
69.03419	2.5
69.07072	15.2
69.57577	1.2
71.04002	2.2
71.04999	52.9
77.03922	1.7
79.05499	64.6
81.03439	2.0
81.07063	100.0
83.04989	9.7
83.08623	11.7
85.06550	7.9
86.01794	1.1
89.68533	1.3
91.05489	67.5
93.07051	65.6
95.04984	7.1
95.08616	42.6
97.06540	9.1
97.10168	2.9
98.21046	2.3
99.08100	3.5
101.06038	1.3
105.04511	2.4
105.07040	39.3
107.08600	32.2
109.06512	4.3
109.10158	17.2
111.08088	3.1
117.07018	10.4
119.08584	16.7
121.10148	25.0
123.08131	2.3
123.11707	17.0
125.09626	1.7
128.06378	1.2
129.07045	2.1
131.08585	18.0
133.10141	34.4
133.11096	1.9
135.08055	2.4
135.11697	15.2
137.09593	1.7
143.08588	3.0
145.10112	9.6
147.11678	6.5
149.09660	1.2
149.13298	11.7
151.11195	12.2
157.10117	2.2
159.11722	13.1
161.13246	6.2
163.14781	1.2
165.12822	1.2
169.12189	1.6
171.11696	2.4
173.13324	6.4
175.14787	2.8
177.12791	4.3
183.13806	20.4
184.78250	1.1
185.13248	2.0
187.13361	2.6
187.14864	2.6
195.13792	6.7
201.14809	1.6
227.16476	2.0
243.21065	1.7
253.17844	1.7
257.17630	2.1
259.20541	2.2
261.22229	5.4
269.17526	2.9
283.19107	3.2
285.17023	4.6
302.53979	1.2
317.24686	1.7
361.27594	1.9
363.25333	3.9
437.34036	1.2
437.44177	1.2
481.68896	1.2
511.37973	2.3
517.38965	23.5
529.38922	21.3
561.41498	67.1
562.41968	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.4153
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	6.6
55.01874	2.5
55.05515	21.3
57.03439	4.7
57.07068	4.2
58.70104	1.7
64.92685	1.5
65.03943	6.1
67.05508	86.7
69.03430	2.3
69.07068	19.4
71.04998	47.9
71.08640	1.9
71.51772	2.0
79.05498	70.3
80.57292	1.7
81.03431	2.3
81.07059	100.0
83.04990	12.1
83.08616	12.0
85.06552	7.7
87.04469	2.2
91.04908	2.7
91.05482	61.5
93.07048	68.7
95.04991	5.2
95.08613	46.4
95.09176	3.3
97.06543	11.7
97.10152	3.9
99.08150	1.9
99.80356	1.7
105.07028	32.0
107.08599	33.9
109.06522	6.4
109.10167	16.4
111.08102	2.3
113.05261	1.8
117.07024	12.4
119.08584	13.2
121.10130	24.0
123.08079	2.1
123.11700	16.1
125.09651	2.5
129.07010	2.9
131.08607	15.5
133.10139	36.6
135.08122	1.8
135.11707	17.6
143.08588	2.1
145.10135	13.5
147.11713	7.6
149.13261	13.0
151.11217	11.2
155.08617	1.8
157.10144	4.0
159.11697	10.6
161.13350	7.8
163.11186	4.2
169.10222	2.0
171.11707	3.8
173.13330	6.6
175.14948	3.4
177.12866	4.4
183.13806	13.5
184.65364	1.6
187.13327	2.7
195.11940	1.7
195.13922	5.4
198.52869	1.7
224.72229	1.6
227.12846	6.7
257.17465	2.1
261.22229	6.1
269.17557	3.0
277.21661	2.2
283.15784	2.5
283.19107	2.6
285.17166	4.7
335.26175	3.9
363.25415	4.0
437.33960	2.5
487.87772	1.9
499.97070	1.7
517.38824	24.0
529.38879	23.1
543.36969	4.1
561.41510	72.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.4155
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.6
55.01866	3.5
55.05517	20.7
57.03426	3.1
57.07078	4.0
59.04966	1.8
64.42074	1.7
65.03939	4.3
67.05511	81.8
69.03444	2.7
69.07076	19.7
71.04996	55.3
71.51869	2.0
71.52287	2.7
77.03964	1.9
79.05497	67.6
81.03424	2.1
81.07061	100.0
83.04993	13.3
83.08620	11.5
85.06567	5.6
91.05489	64.8
93.07049	67.5
95.04987	7.4
95.08612	35.8
95.09173	2.7
97.06548	8.1
97.10186	3.8
105.04573	2.2
105.07040	36.6
107.08596	35.6
107.09306	2.6
109.06522	4.6
109.10168	15.6
111.08091	4.6
113.09637	1.9
117.07019	8.5
119.08591	13.3
121.10152	27.4
123.11724	18.6
125.09689	2.6
129.07065	2.5
131.08583	14.9
133.10141	31.5
135.11726	16.0
145.10156	6.2
147.11778	6.2
149.13269	14.3
151.11191	13.4
157.10213	1.7
159.11728	13.1
161.13306	3.5
173.13376	3.1
177.12807	4.1
183.13831	15.9
187.13350	2.2
187.14888	2.3
195.13927	6.6
234.41997	1.7
259.20654	2.0
261.22162	5.7
269.17410	2.2
283.19162	3.5
285.17120	4.7
317.24789	3.0
361.27478	2.0
363.25378	3.1
462.02063	1.9
517.39020	29.4
529.38812	12.2
561.41547	66.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.379
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	11.1
55.01875	13.3
55.05516	32.5
57.03432	2.4
57.07071	4.6
58.21368	2.4
59.04996	2.6
65.03949	6.6
67.05508	100.0
69.07081	26.7
69.40661	15.5
71.04990	8.2
78.92281	2.2
79.05496	82.1
81.03439	11.7
81.07059	94.9
83.04980	27.1
83.08619	15.2
85.02914	3.3
85.06550	3.1
86.09718	3.1
91.05486	54.5
93.07050	98.7
93.07646	4.8
95.04979	19.5
95.08611	60.1
97.05984	2.4
97.06507	12.3
97.10158	6.9
99.04436	3.0
99.08111	2.7
103.05511	2.4
105.04577	4.0
105.07036	35.5
107.04969	14.9
107.08597	53.1
109.06525	4.4
109.10173	34.1
111.04463	34.4
111.08096	9.4
113.09606	2.8
117.07025	22.1
119.08569	28.7
121.06483	6.2
121.10148	49.7
123.08057	7.1
123.11715	9.3
125.09618	6.4
129.07013	7.3
131.08568	31.2
133.10147	19.8
135.08086	5.7
135.11690	34.5
137.09619	3.0
139.11188	4.3
143.08521	5.1
145.06499	4.0
145.10136	34.3
147.08051	4.4
147.11688	16.1
149.09721	5.3
149.13237	9.7
149.92067	2.7
153.12740	16.9
155.08595	6.1
157.10101	3.4
158.07259	2.5
159.11700	18.3
161.13239	9.2
163.11205	36.9
163.14861	5.0
173.09610	16.0
173.13231	12.0
175.14925	4.0
181.12230	22.0
183.11649	2.9
187.14732	3.8
189.11253	2.5
191.10672	24.9
209.11716	9.4
227.12784	24.2
229.14418	2.9
241.19713	3.0
243.21208	3.7
259.20551	3.9
261.22137	17.0
265.14343	3.8
277.21555	3.5
283.15445	38.7
317.24808	5.6
335.25876	6.1
423.32520	3.6
451.32156	6.6
469.33267	4.2
487.34512	3.4
515.37830	6.2
525.35779	4.4
543.36896	28.2
561.29791	4.9
561.37878	69.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.379
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	6.0
55.01865	13.2
55.05519	28.7
57.03446	8.5
57.07080	5.2
57.88569	3.4
65.03939	4.7
67.05511	100.0
69.07071	23.2
69.15315	32.1
69.15716	4.4
71.05009	6.8
79.05074	6.0
79.05502	82.7
81.03437	10.8
81.07061	89.8
83.04989	30.6
83.08614	15.7
85.02906	5.1
85.06538	4.8
91.05481	50.6
93.07050	92.1
95.04972	15.6
95.08614	51.6
95.32570	3.5
97.06526	16.2
97.10194	8.4
98.20778	6.2
99.04432	5.5
105.07053	38.4
107.04950	13.3
107.08611	49.2
109.06506	7.1
109.10178	30.9
111.04462	31.7
111.08078	11.0
117.07025	20.4
119.08588	29.4
121.06493	4.0
121.10170	47.1
123.08079	4.5
123.11694	6.4
125.05962	3.4
125.09630	10.3
129.07025	7.3
131.08618	33.5
133.10144	24.3
135.08089	5.3
135.11723	31.2
143.08551	8.3
145.06494	4.9
145.10149	29.9
147.08067	6.1
147.11693	15.6
149.09663	6.8
149.13304	8.5
153.12772	14.8
155.08537	7.3
157.10143	8.1
159.11691	12.4
161.13254	7.6
163.11208	33.2
164.64969	3.6
169.10115	4.1
171.11674	4.6
173.09642	11.6
173.13326	8.3
177.12852	4.5
181.12247	22.8
185.13170	5.0
191.10638	22.9
193.12215	5.0
201.12730	3.6
209.11783	10.7
211.85927	3.6
227.12807	21.4
243.21045	6.1
261.22186	15.9
265.14423	5.7
283.15430	42.4
317.24933	4.9
333.24521	4.4
335.25867	8.0
451.32462	6.8
469.32968	8.9
472.49210	4.3
487.34464	4.9
515.37549	8.6
525.35901	6.6
543.37030	33.0
561.24933	7.4
561.37976	67.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.379
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	6.0
53.13646	3.8
55.05513	27.8
57.03439	9.9
57.07051	4.7
58.61919	4.1
65.03925	6.1
67.05176	6.7
67.05511	77.5
69.07072	19.6
70.36444	3.9
70.91546	9.2
71.04990	6.3
73.13050	4.0
74.96037	3.5
79.05496	68.4
81.03429	5.2
81.07057	68.2
83.04998	5.6
83.08624	14.9
91.05486	29.7
93.07054	71.5
95.04950	7.1
95.08063	6.4
95.08610	74.5
97.02911	3.7
97.06549	7.1
99.04487	5.3
100.03202	4.3
101.94779	3.7
105.07049	29.5
107.04951	9.2
107.08604	53.3
109.10166	27.9
111.08067	5.2
117.07042	14.4
118.61462	4.2
119.08606	24.3
121.06506	9.7
121.10139	38.0
123.11729	9.0
129.07036	5.4
131.08557	15.8
133.10132	13.8
135.11699	59.2
145.10144	38.4
147.11713	8.0
149.09602	4.7
149.13280	10.6
159.11696	7.5
161.13242	5.6
163.11182	54.5
163.14760	6.3
173.13289	7.7
175.14821	4.9
181.12250	10.5
187.14796	3.9
227.12790	100.0
243.21208	6.9
261.22177	25.9
283.15417	39.9
302.78995	3.7
317.24887	5.2
335.25763	50.3
543.36749	35.2
561.24567	6.1
561.40063	19.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.379
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	6.0
53.13646	3.8
55.05513	27.8
57.03439	9.9
57.07051	4.7
58.61919	4.1
65.03925	6.1
67.05176	6.7
67.05511	77.5
69.07072	19.6
70.36444	3.9
70.91546	9.2
71.04990	6.3
73.13050	4.0
74.96037	3.5
79.05496	68.4
81.03429	5.2
81.07057	68.2
83.04998	5.6
83.08624	14.9
91.05486	29.7
93.07054	71.5
95.04950	7.1
95.08063	6.4
95.08610	74.5
97.02911	3.7
97.06549	7.1
99.04487	5.3
100.03202	4.3
101.94779	3.7
105.07049	29.5
107.04951	9.2
107.08604	53.3
109.10166	27.9
111.08067	5.2
117.07042	14.4
118.61462	4.2
119.08606	24.3
121.06506	9.7
121.10139	38.0
123.11729	9.0
129.07036	5.4
131.08557	15.8
133.10132	13.8
135.11699	59.2
145.10144	38.4
147.11713	8.0
149.09602	4.7
149.13280	10.6
159.11696	7.5
161.13242	5.6
163.11182	54.5
163.14760	6.3
173.13289	7.7
175.14821	4.9
181.12250	10.5
187.14796	3.9
227.12790	100.0
243.21208	6.9
261.22177	25.9
283.15417	39.9
302.78995	3.7
317.24887	5.2
335.25763	50.3
543.36749	35.2
561.24567	6.1
561.40063	19.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.38
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03723	11.0
67.05517	71.4
68.18275	11.7
79.05499	38.3
81.07068	68.1
86.09723	13.2
91.05484	32.8
93.07054	51.4
95.08598	46.4
97.10175	15.0
98.20619	20.4
105.07051	16.3
107.08582	37.2
109.10176	43.3
109.35336	11.2
121.10146	19.7
123.11675	17.4
131.08583	20.0
133.10176	18.7
135.11732	16.9
149.13257	22.4
158.87257	11.9
159.11662	13.5
168.09636	12.7
229.82240	11.7
243.21159	28.8
256.56836	11.8
261.22107	100.0
335.25909	33.6
351.82910	16.9
353.26837	20.1
361.70624	12.3
437.09671	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	561.2047
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.2
55.01869	1.9
57.03441	3.5
61.02929	3.6
67.38310	0.9
69.03440	11.7
70.06576	1.2
70.74795	2.8
71.04996	2.9
73.02927	1.9
77.67016	0.9
81.03425	4.5
85.02913	12.1
87.04485	1.6
97.02893	5.6
99.04479	2.6
107.04974	3.0
109.02908	2.5
121.02911	1.1
123.04443	5.5
127.03942	4.0
132.04437	1.6
133.07555	1.4
135.04431	2.2
135.69228	0.9
145.04974	1.6
147.04414	2.6
149.07146	4.0
159.05585	6.3
161.05942	1.5
161.07126	8.5
163.03932	1.4
167.07066	4.0
168.07401	1.6
173.07213	1.2
175.08690	1.3
177.01817	2.0
177.06654	2.2
179.08212	9.2
189.01866	1.5
191.08205	2.5
193.06085	4.3
195.03044	1.2
201.05573	2.0
203.03424	1.3
205.06152	10.3
207.07690	1.8
215.03519	1.7
216.09070	1.2
217.09756	1.7
223.07175	58.6
229.05009	1.3
229.09808	1.7
230.05666	3.4
231.02940	3.6
243.02982	1.4
248.06754	9.0
257.04416	2.0
265.11850	2.1
271.06113	1.3
273.04050	2.0
277.11877	3.4
283.06030	1.0
285.04019	3.7
291.09915	1.5
295.12924	5.2
297.07596	1.1
299.05655	1.8
321.10883	5.8
327.05133	2.6
339.11929	34.0
363.07352	3.6
364.11450	23.4
382.12494	100.0
383.12595	1.3
405.08411	1.3
409.09097	1.0
423.09665	1.4
429.11877	2.3
441.10513	1.1
447.10880	1.2
483.13327	1.2
495.12811	1.6
525.13837	1.6
543.15045	1.2
544.17792	47.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41933	0.2
55.01886	0.3
55.05511	2.4
57.07082	2.2
65.03944	0.9
65.18507	0.2
67.05516	0.3
69.03427	1.3
71.11765	0.5
71.53745	0.2
73.06561	0.6
81.03423	1.3
84.08125	0.3
85.02911	2.6
87.00834	1.0
89.21670	0.2
93.07021	0.3
95.97033	0.2
97.02896	0.9
99.04448	0.3
105.01880	0.5
106.58321	0.3
107.08621	0.4
109.02888	0.6
111.04499	0.3
121.02876	2.5
121.03945	0.3
127.03950	1.1
145.05000	0.3
149.02361	100.0
150.02707	1.1
158.29863	0.3
159.02922	0.5
167.03424	0.9
190.05019	0.5
205.08629	19.5
221.08147	1.1
274.66748	0.2
277.14368	10.7
295.15613	0.6
550.22479	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.3794
Annotation	Unknow
Peak:m/z	Relative Intensity
64.65910	17.5
67.05499	85.8
69.07060	25.7
69.58427	90.5
69.58833	31.7
72.77183	15.7
79.05499	34.5
81.07047	77.0
91.05491	35.8
93.07040	45.6
95.08613	57.8
105.07021	20.2
105.77619	16.6
107.08627	48.7
107.35445	15.0
109.10154	25.1
119.08604	23.7
121.10119	43.5
127.80688	16.0
131.08549	24.7
133.10083	28.3
135.11673	23.7
143.72665	18.2
149.13278	25.1
187.14859	18.6
243.21111	51.3
261.22171	100.0
335.25714	25.7
353.26886	46.7
554.36298	19.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.2347
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16982	0.4
55.05519	4.7
57.07082	18.2
61.94114	0.4
65.03940	1.0
67.05493	0.4
69.03425	1.9
70.06606	0.6
72.08183	0.6
73.02905	0.6
73.06561	0.9
73.18118	0.5
79.05532	0.5
81.03430	1.4
83.15612	0.4
84.08144	0.5
85.02917	3.4
87.00835	0.8
91.05515	0.9
97.02893	1.3
99.04453	0.7
105.01888	1.1
109.02892	1.4
121.02879	3.0
127.03919	1.8
131.08572	0.7
131.63687	0.4
145.04872	0.6
149.02359	100.0
150.02754	0.5
161.06021	1.1
167.03395	1.0
175.07562	3.6
184.01779	0.5
190.04857	0.5
203.07051	6.4
205.08636	8.1
221.08080	1.7
229.46733	0.5
252.22401	0.5
262.61737	0.5
277.14386	35.4
295.15414	1.8
406.78604	0.5
434.93811	0.5
469.68939	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
54.86601	0.4
55.01863	1.0
55.63265	0.4
57.03437	0.9
61.02919	1.2
67.05492	1.4
68.05008	0.6
69.03432	4.9
70.11987	0.4
70.42709	0.9
70.43098	0.8
71.04972	0.5
72.24018	0.4
73.02895	1.0
81.03403	1.3
85.02910	6.7
85.06500	0.4
87.04453	0.9
94.35130	0.5
97.02885	2.7
99.04427	0.5
107.22803	0.4
109.02874	0.7
127.03928	1.2
134.04633	6.8
135.03009	0.7
145.04860	0.6
150.00005	0.5
152.05649	1.0
165.02325	5.7
167.02592	0.7
167.03957	0.4
175.09808	1.2
181.05467	1.3
182.04971	100.0
183.05209	0.5
185.08295	0.6
188.21233	0.5
190.03148	0.8
194.04955	3.2
200.09282	1.4
205.05469	3.8
216.04689	1.9
219.07031	1.2
221.08591	0.8
224.06041	1.1
231.06996	12.5
242.08850	0.5
248.09668	26.9
251.67772	0.5
266.10721	60.9
267.11124	1.0
314.09149	1.3
344.10437	0.6
380.14087	1.0
398.14944	9.0
428.16019	45.8
429.16449	1.2
485.33203	0.5
560.20221	26.2
561.20300	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.4383
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	19.3
57.03429	18.8
57.07082	44.4
58.07404	3.6
59.12461	3.4
63.19500	3.6
67.05508	30.4
69.07067	16.3
70.06588	12.2
71.04989	6.4
71.08636	31.0
71.52066	5.3
79.05498	17.0
79.72548	3.2
81.03416	44.7
81.07065	36.1
83.04993	12.1
83.08631	25.9
85.02914	14.6
85.10178	15.0
86.09746	4.2
88.07635	8.4
89.06034	8.2
91.05488	29.7
93.07072	16.5
95.04969	22.1
95.08622	29.3
97.02910	3.5
97.06519	5.1
97.10159	4.7
100.37599	3.5
105.07056	23.0
107.04975	6.4
107.08618	6.1
109.10155	12.5
111.08114	6.8
119.08580	15.2
121.10144	7.0
129.06984	5.6
130.23470	3.2
131.08568	8.7
132.10263	4.1
133.10167	9.9
147.11751	10.7
149.09630	3.9
157.10135	12.7
175.11226	12.5
193.12274	41.8
211.13313	57.1
256.26270	5.5
257.26746	4.6
267.15915	13.4
283.26315	12.6
284.26776	15.2
285.16992	52.9
285.26965	12.5
300.29007	7.9
301.29257	11.0
302.29507	6.6
313.27374	76.0
313.30560	3.5
505.38599	11.3
523.40045	51.2
523.47290	6.3
525.29761	4.0
558.38336	41.9
558.53625	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3971
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	1.8
63.41870	0.6
67.05508	2.0
69.07064	1.8
69.18015	0.6
70.24900	2.7
77.67834	0.6
79.05507	1.9
81.07066	5.1
83.08601	1.2
85.70120	0.8
91.05473	1.0
93.07067	1.7
95.08604	3.8
97.90981	0.6
98.19706	0.6
98.20877	0.9
99.10200	0.6
105.07042	1.6
107.08614	0.8
109.10171	1.7
119.08598	0.9
121.10143	1.7
123.11712	0.9
135.11737	0.9
147.11726	1.1
156.06232	0.8
223.13092	4.7
279.15656	4.6
337.27414	0.9
551.29395	0.7
559.39703	100.0
560.39911	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.2552
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	3.7
57.03442	4.2
60.63618	3.4
64.31167	3.1
65.25140	2.8
69.03434	8.6
69.85590	17.0
72.08177	4.4
75.87402	2.9
79.05513	6.5
81.03413	4.6
81.07072	4.8
85.02904	23.3
85.06547	4.5
86.09724	7.1
88.25992	3.3
91.05489	13.3
93.07067	3.5
95.08648	3.2
97.02909	8.6
103.05469	30.1
104.10744	6.7
105.07037	14.3
107.04972	23.1
107.08601	4.4
109.10185	4.5
115.05501	3.2
117.07025	4.2
119.04957	10.3
121.06503	10.5
121.10159	3.6
127.03949	9.5
127.28271	3.7
128.07103	9.8
129.07045	5.3
131.04944	46.5
133.06523	7.6
135.08121	4.4
137.05991	97.3
147.04408	15.1
149.06026	9.3
151.07559	36.7
157.10245	3.1
161.06004	53.1
161.09651	14.0
162.06802	5.5
163.07555	100.0
167.07063	5.6
175.07594	19.1
177.05560	3.5
177.09119	31.6
179.07082	14.6
179.10742	3.3
181.08597	11.2
189.09091	33.3
191.06953	6.4
192.06592	4.6
195.08148	3.7
207.10164	52.3
219.10129	10.3
221.11687	7.0
223.07568	3.8
227.10847	5.7
252.73010	3.9
253.12286	3.7
255.10292	6.5
285.11224	3.7
287.12799	13.6
299.12997	5.5
311.12885	16.3
313.14362	14.7
331.15408	41.3
343.15344	10.9
378.18738	3.6
498.04263	3.2
558.21533	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	559.3999
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	10.4
53.29435	2.1
55.05516	30.3
57.03428	10.2
57.07074	2.2
59.34503	2.3
65.03925	6.8
67.05510	89.2
69.07069	23.7
69.93083	12.7
71.04984	4.7
73.30576	2.3
73.89986	2.5
79.05500	100.0
81.03413	6.7
81.06592	4.4
81.07061	76.6
83.04994	13.5
83.08624	11.6
85.06540	5.2
86.01445	2.5
91.05487	74.2
93.06489	5.0
93.07053	85.3
95.04980	20.3
95.08614	57.1
97.02859	3.5
97.06538	6.8
97.10173	3.9
98.20977	5.3
103.05487	2.7
105.04510	3.4
105.07042	58.3
107.04947	8.2
107.08604	37.3
109.06493	3.3
109.10178	19.0
117.07030	18.2
119.08598	29.7
121.06497	2.9
121.10166	18.2
123.08067	7.7
123.11719	5.1
125.44649	2.1
128.06241	3.7
129.07010	19.8
131.08617	17.9
133.10159	20.8
135.11732	13.5
143.08607	13.0
145.10141	20.3
147.11705	39.2
149.13261	6.9
157.10077	7.2
159.11665	6.5
161.09682	3.8
161.13283	12.1
163.14822	2.7
165.09155	2.3
171.11711	28.8
173.13220	4.3
177.12846	3.1
181.10020	3.3
185.13271	3.0
189.12737	7.9
199.14876	3.7
207.13864	22.3
241.19229	2.6
261.22214	13.1
279.15897	4.3
281.17468	39.0
335.25821	45.7
339.65268	2.5
449.34003	3.5
457.15750	2.6
467.35239	4.9
541.38934	72.0
559.39978	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	557.3
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05524	7.5
55.50669	2.6
57.03436	4.1
57.07084	67.1
67.05524	22.2
69.07072	15.4
70.06616	3.2
70.17476	5.0
70.17857	8.4
71.08647	46.2
71.45868	2.5
75.04491	6.0
79.05510	4.7
81.03448	3.2
81.07076	30.7
83.08649	17.4
85.10193	23.9
87.04483	6.2
89.06051	61.6
90.06371	7.2
93.07074	3.2
95.08627	39.5
97.10178	9.3
109.10179	22.1
121.10184	2.6
123.11695	6.9
129.04263	2.7
133.08623	31.9
134.08910	5.8
137.13297	3.4
177.11258	11.3
178.11542	5.4
239.23746	48.5
257.24844	8.3
269.05368	3.0
283.26270	7.3
313.27411	100.0
331.28375	3.5
371.22720	9.4
372.23187	9.1
556.52948	7.0
557.53503	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	557.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	2.3
55.01878	5.5
56.96311	2.4
56.96575	40.6
57.03449	11.5
59.04999	4.9
60.95850	2.0
61.02923	7.7
64.30573	1.6
69.03434	25.8
70.06573	1.8
71.01365	15.6
71.04993	5.8
71.50780	3.2
71.95270	2.9
72.08170	8.6
73.02930	12.3
74.97624	3.3
75.04520	1.7
81.03433	11.3
83.04997	3.3
84.08115	1.7
84.63804	1.5
84.96045	24.9
85.02918	56.3
86.03252	2.6
86.97588	3.1
87.04467	11.6
91.03967	1.9
91.05503	3.0
97.02300	2.3
97.02913	35.8
98.97598	100.0
99.04462	5.5
101.00885	3.1
101.02415	1.8
102.96928	3.4
103.05495	1.8
109.02897	6.6
110.97592	33.0
111.04482	2.6
112.99135	7.3
113.00822	2.8
113.02371	5.1
113.17540	1.6
115.03943	3.7
116.98643	31.4
119.01897	5.8
119.04967	4.9
121.06525	1.9
123.04452	2.4
124.95530	2.1
124.99133	4.4
126.97041	3.4
127.00681	3.6
127.03929	13.3
128.98627	29.9
129.01822	8.4
131.00201	7.7
131.01910	4.5
134.99667	5.7
137.05988	12.4
138.97047	2.5
139.03922	2.1
140.07111	2.3
140.98608	5.1
141.01944	2.0
143.00172	14.9
143.01909	3.7
144.98123	5.3
145.01733	5.4
145.03500	2.2
145.04973	13.9
146.99712	10.2
147.03340	3.4
147.04428	8.9
149.01225	2.2
149.05988	3.1
152.98578	4.2
155.01843	2.3
155.04622	1.9
156.98058	9.0
157.03613	2.7
158.99678	33.8
159.01181	1.8
159.01463	1.5
159.03226	2.0
161.01245	17.5
161.02554	2.9
161.02773	2.5
162.99127	4.4
163.02766	4.4
163.04013	3.1
167.07094	8.6
167.08296	1.8
168.07643	1.8
168.98135	5.2
170.05240	1.8
170.99696	14.7
173.01227	5.7
174.99211	14.8
175.01265	1.7
175.02698	4.7
177.00778	20.6
177.05673	4.2
179.02263	12.4
179.07071	3.5
182.99742	3.0
184.97571	3.6
185.01283	17.6
185.02867	2.4
186.99174	10.3
187.02754	2.8
187.04482	2.6
189.00775	11.0
189.02248	1.8
189.04364	6.8
190.04947	2.2
190.98596	1.9
191.02234	5.8
191.03934	3.9
191.05756	3.0
192.04692	9.1
193.00194	2.9
193.04057	3.0
197.03175	3.0
198.99142	2.5
201.00743	8.8
202.98660	5.5
203.02295	35.6
203.07620	3.7
205.00102	2.4
205.03687	3.7
207.01776	2.1
208.04993	4.9
214.98619	5.9
215.02231	4.0
215.05870	2.2
217.00093	2.5
217.03687	2.6
217.05551	3.1
217.07423	2.0
219.01810	30.9
219.05345	2.0
220.02345	4.1
221.03278	9.3
221.05151	2.8
223.01283	2.1
226.04031	1.8
226.06044	2.2
227.02287	8.3
231.05321	3.6
232.99648	4.5
233.03343	3.7
233.06804	5.9
235.06737	2.3
237.02838	29.4
238.03354	2.4
239.04276	3.0
243.01776	2.7
245.03149	10.9
247.01224	2.1
251.00688	2.0
253.03900	2.4
261.02829	3.7
263.04163	2.7
270.04968	3.8
271.05048	2.2
272.06467	4.3
274.07135	2.0
275.00928	2.0
279.03659	3.2
280.07098	6.9
287.62021	2.3
288.06244	2.4
289.07632	7.1
291.07645	11.0
293.10797	4.3
295.04865	2.9
298.08282	2.3
305.05453	16.6
305.10886	4.9
309.08606	27.8
317.03751	2.0
321.08502	2.3
323.06610	30.5
325.05243	2.0
333.04840	2.9
335.06400	3.7
335.10187	2.6
337.08020	3.0
345.01331	10.6
346.77139	1.9
351.09601	5.0
363.02469	3.3
363.10962	2.2
371.11002	2.0
372.11807	2.4
377.11032	7.1
379.09424	2.0
383.08569	2.6
395.12384	4.2
397.10718	1.9
475.03445	2.5
557.17749	35.7
575.05591	4.3
579.69757	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09583	1.4
51.96194	1.6
56.96303	1.7
56.96571	29.3
58.93693	1.4
69.03429	4.9
70.34367	5.2
73.02939	1.9
84.96041	6.1
85.02901	7.9
97.02879	3.6
98.21420	2.3
98.97592	91.6
100.99143	8.8
101.00884	12.4
110.97580	22.9
112.99144	80.7
116.98643	23.1
119.00217	4.2
119.01923	13.1
124.99141	2.7
127.00677	5.1
127.02418	5.1
127.03912	3.6
128.98631	12.1
129.04013	2.2
130.99208	3.3
131.00183	56.5
131.01900	5.0
138.97014	1.4
139.02444	3.3
140.98630	3.2
143.00175	5.8
143.01898	7.4
144.98090	2.7
145.01718	10.7
145.03487	12.2
145.04474	1.9
145.04921	1.7
146.99637	4.7
147.03189	2.9
149.01251	12.3
152.98625	3.9
155.00291	1.6
155.01857	7.9
156.98102	3.4
157.01753	3.1
157.03474	17.0
158.99675	32.0
159.05023	2.0
161.01244	5.0
161.02946	6.5
163.02791	6.0
167.01889	2.0
167.07053	3.3
169.03473	9.4
170.99663	8.2
171.03510	1.6
171.05032	4.7
173.01265	57.1
173.02908	6.2
174.99106	2.4
175.02782	12.5
175.04509	7.0
177.00734	13.7
177.04178	1.9
179.02040	3.7
181.03514	3.4
182.99651	5.1
185.01450	2.5
185.02890	8.2
187.02789	9.4
187.04556	8.8
189.00722	4.1
191.02304	25.9
193.03831	29.6
193.05586	8.0
195.01561	1.9
197.03070	6.1
199.04503	3.0
201.00658	14.9
203.02321	1.8
203.04050	4.8
205.03777	6.8
209.03300	3.5
211.04845	10.1
211.06712	3.9
213.02510	2.3
215.03949	2.6
217.03786	5.0
219.01778	45.2
219.07048	1.8
221.03203	2.6
221.05139	3.8
223.04684	3.7
223.06732	3.8
229.05724	2.2
233.03317	9.0
235.04794	2.9
235.06709	12.7
237.02850	32.9
239.04472	3.0
243.01715	2.3
245.05136	15.9
247.04472	1.8
247.06895	10.5
249.08246	4.9
251.04350	2.1
251.12427	1.6
259.06699	3.0
261.02884	9.5
263.04404	4.6
271.06702	7.9
275.02130	3.2
275.04471	6.3
277.05869	4.7
279.03848	4.8
281.05383	13.6
282.10910	1.7
287.02341	2.3
293.05408	5.4
296.08234	1.6
304.39551	1.4
307.06659	1.6
321.04904	3.3
321.10306	2.9
323.10229	5.3
337.08353	100.0
355.09116	46.0
367.10043	2.4
377.06213	2.4
378.10779	1.8
395.06470	7.8
397.10178	73.9
427.11166	7.4
429.11304	1.6
441.09540	19.3
453.12924	15.1
471.13925	11.9
513.15204	17.7
514.00928	1.7
536.45392	1.6
557.15131	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	556.4947
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	2.8
55.01877	2.0
55.05305	1.5
55.05524	15.8
56.05044	5.7
57.06828	1.8
57.07088	21.6
58.06612	2.7
60.04538	100.0
62.23395	1.1
65.03929	1.3
67.05183	1.6
67.05516	23.5
69.07080	19.3
70.06606	12.3
71.08648	8.0
71.52416	1.8
72.04532	6.4
73.02921	1.5
74.06087	6.2
76.85780	1.4
79.05505	13.3
81.03443	5.7
81.07072	25.3
82.06597	2.9
83.08633	15.4
84.08163	4.1
85.02954	1.5
85.08383	1.2
85.10201	4.1
86.06093	5.5
88.07666	5.3
89.06042	13.0
90.05588	5.0
91.05488	13.1
93.07068	14.4
93.94162	1.1
94.06587	7.9
95.04986	1.9
95.07387	2.3
95.08625	22.7
96.08163	3.9
97.06561	3.3
97.10210	7.4
98.06078	1.9
100.07673	1.9
102.05515	1.1
102.09203	2.6
104.10757	6.5
105.07028	9.1
107.08604	8.1
108.08135	2.7
109.06562	1.9
109.10188	8.7
110.09702	1.8
111.11790	2.2
112.07652	2.7
114.09190	1.2
119.08595	8.9
121.10161	6.9
122.09710	2.7
123.08113	2.6
123.11754	3.9
132.10229	4.1
133.08632	8.5
133.10124	7.6
135.11777	2.9
137.09645	1.6
137.13200	1.3
146.11838	4.2
147.11720	2.8
149.13341	2.7
161.13377	1.7
175.14886	2.2
177.03926	1.4
177.11276	4.0
214.06456	1.4
228.05470	1.6
231.55334	1.3
240.23338	1.6
245.22850	5.4
248.23827	12.6
250.25447	3.5
252.27025	1.5
254.24937	1.6
256.26401	7.7
258.24243	8.1
262.25354	32.8
262.27997	2.1
263.23709	5.9
266.24930	7.4
272.26010	5.0
280.26437	30.1
283.26370	27.6
283.29318	1.7
284.25989	4.3
298.27496	10.7
300.25656	2.3
300.29138	14.2
311.29657	3.6
314.66495	1.3
316.28546	3.7
371.22925	4.4
490.47278	1.6
502.46292	2.5
520.47266	19.2
538.48364	88.8
539.49164	1.8
556.53253	71.6
579.99823	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2396
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.5
56.96574	1.0
57.03442	0.4
65.16106	0.3
69.03423	1.2
70.06599	0.5
71.01362	0.6
71.05002	0.4
71.51565	0.4
72.08181	0.5
73.02937	0.5
74.11089	0.3
79.05500	0.8
81.03427	0.7
84.96053	0.5
85.02904	3.0
87.04459	0.3
91.05488	0.9
93.07050	1.5
95.04985	0.5
97.02926	1.4
97.03476	0.3
98.06071	0.4
98.97585	2.3
103.05473	6.5
105.07030	0.3
107.04966	2.0
109.02862	0.5
110.97601	1.3
112.99149	0.3
116.98635	0.8
119.04949	0.5
120.08112	100.0
121.06531	0.5
121.08463	0.7
124.07610	0.8
126.97171	0.3
127.03931	1.1
128.98666	0.5
131.04930	2.4
137.05992	1.2
138.23654	0.3
140.07056	1.3
142.08670	0.3
145.04973	0.5
147.04401	0.5
148.07538	0.3
149.05986	2.8
155.04686	0.4
155.56189	0.3
158.99670	0.6
161.06004	0.4
166.08649	49.7
167.07028	4.0
167.08568	0.3
167.09010	0.3
168.98251	0.3
170.99661	0.3
173.01263	0.3
174.99190	0.3
177.00711	0.5
179.07030	0.4
181.08636	1.4
211.09673	4.0
219.01851	1.0
227.06706	0.6
237.02837	1.0
248.27614	0.3
362.35538	0.3
415.09244	0.5
475.11703	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.3379
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03965	8.3
55.01875	12.7
55.05515	49.2
67.05504	25.5
69.03435	12.8
69.07056	44.5
70.06605	10.1
71.34158	6.6
71.52037	9.8
76.15409	6.8
79.05506	19.2
81.07056	97.4
83.08624	9.6
85.02920	22.3
85.06559	45.6
87.91415	7.0
91.03644	6.5
91.05482	19.5
92.53669	7.6
93.07054	52.2
95.04978	23.7
95.08622	73.3
97.06549	24.9
97.10176	75.1
98.12411	7.0
99.08110	14.0
101.06004	13.4
105.07033	32.1
107.06059	6.8
107.08601	44.3
109.06525	14.3
109.10172	38.6
111.08081	80.9
111.11710	11.4
112.51054	6.3
119.08588	27.9
121.10162	29.9
123.11708	31.4
125.09644	20.6
129.07005	7.7
131.04956	14.8
133.10173	18.9
135.11716	24.9
137.05995	17.1
137.09654	10.8
137.13266	8.5
139.11209	27.1
143.10695	30.5
145.10149	13.7
147.11711	22.6
149.09634	11.1
149.13303	15.8
151.07616	9.2
151.11206	9.4
153.12732	7.5
157.12315	9.9
159.11739	7.1
161.13260	10.1
163.65285	7.2
165.12781	30.5
167.10764	7.1
183.13852	9.8
207.08412	8.3
223.16852	8.1
235.16930	13.2
253.18092	30.9
259.79831	6.9
303.23138	46.9
321.24222	100.0
327.12112	7.2
339.25345	73.0
357.26175	8.3
399.11765	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	555.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	17.8
55.01874	11.3
55.05511	10.9
59.62389	4.0
59.77909	4.6
65.37991	4.1
67.05505	14.4
69.03437	38.2
69.07069	5.8
69.26772	14.5
69.27193	23.9
71.04990	10.4
76.87259	4.2
79.05495	13.8
79.81880	4.5
81.03431	100.0
81.07049	21.9
83.04996	67.0
85.02916	24.3
85.06553	10.0
87.00838	8.0
91.05496	33.4
93.07041	21.3
95.04993	18.5
95.08611	16.2
97.02900	54.4
97.06566	4.4
98.20796	9.3
98.63699	4.4
99.04485	24.4
105.07046	41.6
107.04951	19.3
107.08610	20.8
109.02879	37.6
109.06517	13.4
109.10179	10.7
110.03672	5.8
111.04480	4.4
114.01042	4.7
115.05443	8.2
117.07017	13.8
119.08582	29.6
121.06519	12.6
121.10161	12.7
123.04442	12.9
123.08112	9.7
125.09606	6.5
127.03929	66.5
128.06233	26.1
129.06984	10.9
131.04965	14.0
131.08582	45.6
133.06488	8.8
133.10143	31.8
135.08012	10.8
137.05971	7.9
137.09624	6.3
141.07011	7.6
142.07832	5.6
143.08600	43.3
145.04980	7.6
145.06534	13.3
145.10143	28.4
147.08070	22.3
149.09641	10.9
151.03926	7.4
151.07532	10.5
153.05557	6.1
153.09029	6.4
155.08565	13.0
156.09319	6.2
157.10075	11.3
158.07207	5.2
159.08066	27.9
159.11713	10.8
161.09631	83.6
163.07608	5.2
165.09145	12.2
167.07143	5.3
168.09331	9.5
171.08078	15.3
173.09610	7.2
173.13310	20.6
175.07527	7.2
177.09123	45.5
179.08652	7.3
183.11725	15.7
185.09613	8.2
187.11212	8.1
189.09140	78.4
189.12766	12.3
191.14316	8.6
193.08620	4.7
199.11229	7.5
201.12776	51.4
207.10226	40.9
209.93910	5.1
211.11220	13.8
213.03946	83.4
217.12297	14.4
219.10175	8.6
219.13759	22.4
223.51915	4.8
229.12276	44.8
231.05005	10.1
235.13284	11.9
247.13319	37.1
265.14423	19.9
275.12866	5.3
389.95322	4.9
393.22836	5.9
433.18762	5.1
437.14035	5.0
495.18442	7.5
519.18860	20.1
537.19672	9.8
555.19574	6.1
555.27502	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	554.5145
Annotation	2-OH-C16 :0 Ceramide
Peak:m/z	Relative Intensity
50.27230	0.7
53.03955	0.9
55.05515	13.9
56.05031	3.4
57.07075	5.5
58.06586	0.7
59.24754	0.7
60.04528	25.3
67.05508	18.4
69.07069	13.1
69.88495	0.7
70.06586	3.5
71.08631	2.5
71.51598	0.7
71.52081	0.8
76.19251	0.7
79.05067	1.2
79.05499	15.1
81.07062	17.3
82.06580	1.2
83.04984	0.7
83.08623	8.9
85.10175	1.5
86.06085	1.1
91.05472	2.7
93.07050	15.2
95.08060	1.3
95.08612	15.5
96.08127	2.2
97.06554	1.4
97.10148	5.9
100.07641	1.3
107.08588	9.2
107.09218	1.0
109.10159	6.4
111.11725	1.6
113.54995	0.7
121.10146	12.1
123.11693	1.6
124.11178	0.8
135.11708	6.8
149.13300	2.5
153.46062	0.7
247.24280	2.9
252.26958	1.2
264.26892	11.8
272.25894	9.9
282.27911	18.1
300.29031	2.1
376.60104	0.8
510.17834	0.9
518.49323	5.8
536.50433	100.0
537.50500	1.6
554.51794	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	555.1782
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30270	0.5
51.82674	0.6
56.96560	2.0
69.03422	2.4
71.01360	1.1
71.04973	0.7
71.50107	0.6
71.50520	0.6
73.02898	0.7
82.99870	0.9
84.96024	1.1
85.01391	0.6
85.02917	3.3
87.04503	0.7
91.05490	0.6
97.02895	2.4
98.97596	9.1
101.00880	5.5
103.00617	0.8
103.02436	1.3
109.02853	0.5
110.97586	2.2
112.99149	2.3
113.00872	1.7
115.02417	4.7
116.98625	2.1
119.01925	6.3
121.03491	0.5
124.99065	0.5
127.02451	1.1
127.03899	1.5
128.98625	2.2
129.04016	1.7
130.99326	0.5
131.00151	2.8
131.01891	4.2
133.03473	9.1
134.99637	0.7
137.02940	0.9
139.02477	0.7
141.03957	1.7
143.00142	1.4
143.01900	6.5
145.01733	0.7
145.03464	4.6
145.04977	1.1
146.99657	0.6
147.03331	0.6
147.05029	3.5
149.01233	0.8
151.04521	0.9
153.04015	1.3
155.01920	8.2
157.03474	6.8
158.99692	1.9
159.01349	0.7
159.03264	0.7
159.05042	6.1
161.01268	1.0
161.02986	5.3
163.02736	0.6
163.04146	0.6
169.01910	0.5
169.03477	1.6
170.99669	1.2
171.05051	6.8
173.01247	2.2
173.02988	6.6
173.06567	0.7
175.02914	1.0
175.04555	2.4
177.00737	1.2
177.04442	0.9
177.06079	6.7
179.01996	2.2
182.99664	0.9
183.05125	4.4
185.01456	1.0
185.02946	4.0
185.06644	2.1
187.01180	0.6
187.02850	0.9
187.04532	1.9
189.00722	1.1
189.06090	2.5
191.02255	0.7
192.04727	2.2
193.03729	1.6
195.05310	1.0
195.07178	3.1
197.02965	3.8
197.06667	1.5
199.04562	1.5
201.00761	1.5
201.06093	2.7
203.04018	5.3
203.07672	1.5
205.05643	1.4
207.05058	1.9
211.04587	1.3
213.06171	1.5
215.04047	0.7
215.07661	0.8
219.01784	4.8
219.05037	1.3
219.07152	21.5
219.09216	1.1
221.05052	7.9
223.04803	0.9
223.06644	1.3
225.06151	2.5
231.07153	19.8
233.03442	0.6
233.08701	5.0
237.02824	4.4
243.01823	0.6
243.07272	0.7
245.05098	17.7
245.08850	1.3
246.05356	0.9
247.04694	1.3
255.07149	7.8
259.06635	2.4
261.02878	0.8
261.08231	2.3
263.06189	1.8
273.08215	6.9
279.03934	1.3
281.05380	1.1
285.08240	1.0
291.09329	0.6
305.07245	0.8
307.08566	0.7
318.06439	0.6
321.10345	100.0
322.10663	1.8
335.06735	1.8
337.07916	3.2
339.11273	4.6
355.09244	2.5
363.11719	2.7
365.09076	0.6
367.10760	1.7
372.69559	0.6
373.05771	6.0
381.12469	15.7
407.10089	0.8
415.69873	0.7
425.11395	14.5
469.17856	7.5
511.18921	3.0
555.09454	0.9
555.17639	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	554.4423
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05522	19.7
57.03448	13.5
57.07084	1.9
58.46542	1.1
65.03954	2.0
67.05515	73.1
69.07080	31.1
70.91660	2.5
71.04999	7.4
71.08632	1.5
73.06574	1.1
79.05506	17.2
79.32092	1.3
81.07069	98.4
83.04993	2.4
83.08637	10.9
85.06560	13.7
90.14999	1.0
91.05496	11.0
93.07062	13.0
95.08620	97.6
97.06525	3.6
97.10165	5.3
99.08104	4.2
105.07077	9.5
107.08615	8.3
109.10162	9.7
111.08070	1.4
111.11671	1.1
119.08595	9.3
121.10169	8.1
123.11729	8.3
133.10158	2.1
135.11696	3.8
137.13268	4.8
147.11705	14.3
149.13278	2.8
153.12697	1.7
161.13315	2.0
165.12733	8.2
175.14844	1.8
183.13832	5.4
199.20703	1.3
201.14899	4.7
209.33414	1.4
213.50601	1.2
257.17511	100.0
258.17920	1.4
263.23709	3.1
267.32498	1.3
337.27429	84.9
338.27725	1.3
428.67572	1.3
519.40540	49.2
540.39520	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.4427
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07102	6.6
54.96906	5.9
55.01873	8.2
55.05509	41.9
57.03448	8.2
57.07065	21.9
60.04534	40.5
67.05517	56.5
69.07080	41.9
69.43713	10.2
69.44057	55.1
70.63204	6.7
71.04993	9.7
71.08653	9.9
71.11082	7.0
76.52242	7.6
79.05489	38.5
81.07067	62.3
83.08634	35.7
91.05484	25.9
93.07053	50.1
95.08622	57.7
97.10165	11.8
102.43554	6.5
105.07075	10.2
105.38497	7.3
107.08619	32.2
109.10165	22.7
119.08596	21.4
121.10165	22.1
123.11733	20.5
131.08516	11.9
133.10176	9.4
135.11687	13.5
145.10138	10.9
147.11684	8.1
149.13263	28.3
156.25829	7.8
159.11723	7.7
167.14281	8.1
173.13310	8.6
178.66833	6.8
209.13222	7.4
259.19080	100.0
261.22202	28.1
303.67154	6.8
335.25873	57.6
519.40692	41.5
536.50543	45.7
554.52283	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	554.1874
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01607	0.6
51.02374	1.4
53.03956	0.8
55.01868	1.3
55.05511	1.0
65.03954	0.9
67.05492	1.3
69.03407	1.8
69.58342	3.7
70.06592	0.9
78.03033	1.3
78.03457	18.7
79.04278	0.8
79.05487	2.5
80.05014	4.1
81.03391	1.2
81.07059	1.5
83.04995	1.7
91.05492	4.1
93.07074	3.1
95.01311	0.9
95.04951	2.6
95.08611	1.1
96.04505	3.1
97.02924	1.5
97.06564	0.8
99.04477	0.9
103.05424	0.9
105.07042	4.3
106.02921	50.9
107.04961	1.9
107.08600	1.5
108.54401	0.7
109.02882	1.7
109.06525	2.6
111.04443	1.7
115.05467	1.8
117.06999	3.9
119.04958	1.5
119.08605	2.1
121.06479	3.9
123.04427	1.4
123.08060	1.3
123.11685	0.9
124.03960	100.0
125.05976	1.2
128.06212	1.1
129.07057	1.4
131.04919	1.1
131.08556	1.8
133.06499	1.8
135.04463	1.1
135.08067	2.0
137.05983	4.3
139.03893	0.9
143.08556	1.2
145.06490	5.6
145.10135	3.0
147.04381	2.2
147.08032	1.2
149.05975	5.8
149.09662	1.0
151.07521	1.7
153.05586	0.7
155.08542	1.1
157.06494	1.1
158.07281	1.3
159.08089	4.9
161.05998	6.5
161.09669	1.8
163.07556	3.5
165.05540	0.9
167.07021	0.8
171.08070	1.4
173.06021	1.9
173.09584	4.5
175.07535	2.1
177.05511	5.1
177.09119	2.2
179.07091	1.7
180.06561	51.3
183.08136	1.6
187.07539	4.2
188.08299	1.0
189.05489	3.4
189.09117	2.0
191.07069	3.5
191.10571	0.9
195.06491	1.1
199.07558	4.3
201.05426	1.1
201.09140	6.9
203.07048	1.1
205.08611	2.1
207.06569	1.0
211.07631	1.0
215.06981	1.9
217.08656	3.5
219.06577	1.3
219.10213	1.8
227.07060	1.6
229.08556	4.2
233.08214	1.3
237.07674	1.4
245.08139	1.8
247.09660	3.9
255.08586	1.6
257.08139	2.4
265.10831	0.8
273.09738	0.8
275.09247	3.6
282.50104	0.7
293.10184	4.4
297.09830	0.8
299.10083	0.7
303.99240	0.7
315.10834	1.1
318.09647	0.7
335.11478	0.9
352.12051	1.0
353.12387	1.0
359.12302	1.7
375.70187	0.7
388.13840	1.2
398.12299	2.1
404.13400	0.7
416.13342	6.8
434.14435	6.4
452.15735	3.8
458.14539	2.3
476.15561	10.4
494.16629	10.9
536.17432	4.4
554.18701	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75260	0.6
55.01868	0.7
56.96569	4.0
57.03445	1.3
69.03435	4.7
69.25858	6.1
70.99870	1.1
71.01356	2.6
72.08160	1.9
73.02913	1.7
73.06577	0.6
77.00877	0.9
81.03429	0.8
81.70022	0.7
82.99871	2.4
83.64220	0.6
84.96024	2.5
85.02917	6.9
87.04457	1.6
89.10825	0.7
91.56736	0.7
94.99859	1.4
97.01384	1.5
97.02898	4.2
98.97594	10.0
101.00893	15.9
103.02460	1.1
104.68298	0.5
110.97564	4.9
111.02878	0.9
112.99198	1.1
113.00869	8.2
113.02364	0.9
114.25915	0.6
115.02464	5.2
116.98636	1.8
119.01925	17.0
124.01029	0.7
125.00880	0.9
127.02445	1.6
127.03930	2.5
128.98625	2.5
129.00269	0.8
129.01852	1.0
129.03992	3.5
131.00305	0.8
131.01923	17.3
131.05588	7.0
133.03488	4.0
137.00859	2.9
137.03003	1.1
137.05991	0.9
139.03989	0.7
141.03944	0.7
143.01913	39.6
145.01715	0.9
145.03484	5.3
145.04948	2.4
147.01392	1.4
147.05135	3.6
149.02963	1.4
149.06630	7.5
153.04100	0.8
155.01921	23.4
155.05524	3.3
156.02756	1.2
156.98126	0.9
157.03513	3.2
157.07251	0.6
158.99712	2.5
159.05090	4.2
160.02202	0.7
161.01521	1.2
161.02968	33.1
162.03157	0.7
167.05600	2.3
167.06938	1.1
169.07184	1.3
170.99704	0.9
171.05063	3.1
173.02998	12.5
173.06615	28.1
174.99239	0.8
175.04543	1.9
175.08154	0.8
177.00716	2.1
177.06139	4.4
185.03033	2.7
185.06607	38.6
186.99191	1.1
187.02615	0.6
187.04446	0.6
187.08186	6.6
189.00784	1.1
190.04967	0.8
190.06764	1.0
191.07658	8.3
195.05058	1.7
197.06621	2.8
199.04657	3.0
199.08206	3.4
201.06070	1.5
201.09784	1.1
203.04076	6.1
203.07671	17.7
205.09288	2.5
209.06581	1.4
211.04550	1.1
213.06229	0.9
215.07668	10.2
217.09233	1.7
219.01743	4.5
221.05101	16.8
227.07698	5.0
229.05763	1.1
229.09219	0.8
233.06735	1.1
233.08749	4.1
237.02814	3.1
240.08714	1.3
241.05656	2.2
257.08838	2.9
275.09772	31.1
287.01154	0.6
291.07986	0.8
293.10822	45.7
294.10965	1.0
301.07715	6.3
309.08762	1.7
319.08762	3.8
319.12305	1.5
342.05359	1.1
345.01328	1.2
358.06888	0.7
391.14627	1.5
408.04868	0.7
467.16498	0.9
553.19824	100.0
554.20062	4.7
584.23962	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.4267
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.0
55.05271	1.3
55.05517	15.3
57.03449	14.8
57.07076	4.0
65.03927	2.2
67.05511	68.6
69.07076	19.7
71.05009	6.1
71.08634	1.4
71.12173	2.4
79.05502	31.2
81.07065	100.0
83.04990	2.4
83.08633	6.2
85.06555	16.3
85.07032	2.0
91.05491	15.8
93.07053	30.8
95.04994	2.2
95.08618	94.5
97.06561	4.9
97.10152	2.6
99.08096	4.2
105.07047	12.9
107.08609	14.9
109.06515	1.6
109.10172	12.6
110.29176	0.9
115.07605	1.1
117.07034	2.4
119.08592	10.5
121.10153	15.2
123.08079	2.0
123.11729	6.3
123.12519	1.0
131.08578	4.0
133.10179	4.8
135.11708	8.0
137.13252	3.0
145.10146	3.5
147.11697	16.3
149.13246	3.1
159.11707	2.7
161.13237	3.1
163.14804	2.0
165.12743	9.5
173.13274	2.7
183.13873	6.4
187.14873	1.5
190.25537	1.0
201.14893	3.8
231.92441	1.1
243.21049	2.9
255.15973	1.4
257.17505	93.8
261.22192	9.0
317.24881	2.8
335.25848	77.1
336.25903	1.6
517.38928	40.7
552.49554	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.4991
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.7
55.05526	6.9
56.05033	5.0
57.07069	6.0
60.04523	6.4
67.05511	16.2
69.07072	8.5
69.97579	5.5
70.06588	2.5
79.05500	10.9
79.12151	1.3
80.05021	3.7
81.05812	1.7
81.07062	11.0
82.06577	7.2
83.08624	7.5
91.05488	11.4
93.07051	11.7
94.06573	19.7
95.07339	10.8
95.08607	8.0
96.08134	6.0
97.10194	1.6
98.06046	1.3
105.07050	7.0
107.08616	6.2
108.08099	3.5
109.06520	1.3
109.10168	4.1
119.08579	5.5
121.10165	5.5
122.09660	2.8
123.11698	2.5
133.10118	4.2
135.10497	1.2
135.11676	4.6
137.13258	1.5
149.13251	1.4
161.13243	1.5
185.18753	1.1
233.22679	4.7
245.22662	6.4
250.25342	11.1
254.24864	1.6
262.25308	100.0
269.78143	1.3
272.25958	7.3
280.26382	8.7
293.42517	1.3
296.78088	1.2
504.47607	2.6
516.47546	6.1
528.61285	1.7
534.48724	5.8
552.50018	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	552.3146
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05031	1.2
69.01242	0.4
69.07075	9.0
71.30048	0.8
75.05616	2.3
75.05985	0.5
75.11507	0.4
83.06117	3.3
85.02897	0.6
86.06084	3.1
86.09711	100.0
91.05502	0.6
93.04551	2.6
95.06091	2.3
97.02905	0.9
99.20139	0.5
105.07062	0.6
110.07174	60.1
114.05536	7.9
143.11816	8.4
156.07697	64.8
157.08020	0.6
166.06184	1.3
167.07025	0.7
171.07678	3.2
176.06985	0.5
204.06551	1.1
223.13338	1.5
234.12444	0.5
238.15546	0.8
251.15027	2.8
256.16522	9.4
269.16098	18.7
284.16058	23.5
397.24570	2.8
439.26685	1.3
534.30322	1.3
552.31476	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	552.4034
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08538	0.5
55.05516	1.0
56.05036	1.3
57.07074	2.4
58.06610	1.6
60.04517	0.9
60.08172	17.9
67.05511	1.3
69.07073	0.8
70.91202	1.5
71.07384	6.9
71.08632	1.1
81.07063	1.4
83.08604	1.3
86.09720	50.0
93.07063	0.8
95.08606	1.6
98.98477	4.3
104.10761	98.7
111.53202	0.5
125.00027	28.4
173.69357	0.5
184.07372	100.0
258.11017	0.6
369.33630	1.3
397.84970	0.7
432.58093	0.7
471.97296	0.6
534.39319	8.7
552.40338	31.7
552.48853	1.2
553.40942	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.2345
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37632	0.3
54.03918	0.3
56.18008	0.3
69.48425	2.5
70.06525	0.3
74.34081	0.3
79.05479	0.7
85.14243	0.3
91.05453	0.7
93.07056	1.9
94.06568	1.8
95.04968	0.3
95.07370	1.5
95.08582	0.3
96.08144	3.9
96.95255	0.3
97.06504	0.4
98.21485	0.6
103.05471	0.7
108.04424	0.4
108.08128	2.7
110.09032	0.4
110.09693	5.9
111.71214	0.3
115.44899	0.3
116.44216	0.3
120.04498	3.2
120.07391	0.3
120.08121	4.0
122.09647	0.8
123.06791	0.3
124.03966	2.6
124.07565	0.9
131.04913	0.4
136.07596	3.7
137.08386	0.3
138.08162	0.5
138.09160	7.5
146.06003	0.6
148.07503	1.2
150.05452	0.5
150.09079	0.8
152.07030	1.1
152.10738	0.4
160.07523	0.4
164.07063	1.0
166.08652	7.6
172.04019	0.3
176.10686	0.7
180.10199	0.4
181.08719	0.4
182.11746	0.4
190.04932	0.4
194.08160	1.1
197.10716	0.8
198.11473	0.4
209.10742	0.6
211.08623	0.5
211.12279	0.8
212.09462	0.6
213.08911	0.4
221.10689	0.7
223.08676	1.0
223.12247	1.3
224.09413	1.2
225.10236	3.1
226.11057	0.6
227.11862	0.9
231.10103	0.4
233.10707	0.4
235.08658	1.4
235.12259	0.5
236.09378	1.2
237.08113	0.3
237.10251	7.7
238.10997	1.3
239.08073	1.4
239.11798	3.8
241.09718	1.0
248.09358	1.1
249.10185	6.5
250.11009	2.9
251.08186	3.4
251.11810	5.5
252.08871	0.7
252.12610	1.1
253.09756	4.9
253.12404	0.5
253.13358	0.3
254.10452	0.6
255.11389	0.6
261.10220	3.2
262.10977	1.2
263.08286	0.4
263.11813	2.5
264.08850	0.6
265.09747	8.7
266.10486	1.4
267.11331	5.2
268.12115	0.6
269.09250	0.9
269.12854	0.5
271.10812	1.7
277.09763	3.0
278.10516	4.1
279.07730	3.6
279.11310	9.4
280.09131	0.3
280.12057	2.3
281.09216	2.5
281.12836	2.0
282.10153	0.7
283.10828	6.1
283.13983	0.6
284.11298	0.4
285.12363	0.8
287.13934	1.5
289.09714	4.7
290.10452	0.6
291.11243	2.2
293.09219	1.7
293.12860	3.6
294.10052	4.9
294.13306	0.3
295.10800	3.9
296.11505	2.3
297.09003	0.7
297.12387	1.7
298.09622	0.6
299.10446	2.1
299.13617	0.6
305.09354	0.5
306.09805	0.8
307.10873	2.1
308.11526	0.9
309.09082	0.4
309.12384	2.4
310.13214	0.5
311.10272	5.9
311.13919	1.8
312.11020	2.3
313.11777	1.6
314.12683	1.6
315.13486	0.4
317.09274	1.2
319.07172	0.4
321.12305	0.7
323.10361	1.2
323.14047	1.1
324.11090	2.2
325.11829	0.9
326.12686	5.0
327.13431	8.2
335.10278	6.8
337.11923	0.8
339.13422	47.9
340.10574	2.1
340.13541	0.5
341.11285	0.4
352.10620	1.2
353.11316	0.6
354.12189	3.6
355.12912	14.5
359.15793	0.4
367.12927	32.4
368.13425	0.6
371.12247	0.8
374.14746	0.4
386.14713	1.1
387.15561	0.7
399.15182	0.5
432.19528	0.5
444.19513	0.7
451.21045	0.9
460.18643	1.3
464.18207	0.6
479.20627	2.1
488.18231	13.4
489.19168	0.3
492.21387	5.7
502.20181	0.8
520.20862	100.0
521.21082	2.2
552.23523	6.4
552.31921	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.4255
Annotation	(3'Z,5'Z)-Celaxanthin
Peak:m/z	Relative Intensity
53.03946	4.5
55.05518	14.9
57.07080	8.3
59.04998	1.2
65.03924	3.5
66.73515	1.1
67.05510	31.4
69.03445	1.2
69.06724	2.0
69.07072	20.0
70.56862	1.2
71.07514	2.2
77.03917	1.7
79.05060	2.0
79.05498	25.1
81.07064	42.4
83.04962	1.6
83.08633	7.0
85.06542	2.8
91.05489	35.8
93.07050	56.5
95.04971	4.0
95.08614	45.6
97.10159	1.8
103.05488	3.8
105.04536	2.4
105.07042	72.2
107.08604	58.6
109.06531	2.9
109.10165	41.2
115.05448	5.1
117.07033	14.0
119.08590	100.0
121.10152	49.0
123.08077	1.7
123.11717	15.6
128.06235	8.0
129.07014	10.6
130.07787	7.7
131.08575	32.3
133.10147	59.8
135.10689	2.5
135.11702	36.1
135.12732	2.6
137.09615	3.4
137.13234	1.8
139.11142	1.7
141.06985	6.3
141.23285	1.0
142.07790	15.4
143.08578	24.9
144.09381	8.4
145.10136	70.7
147.11702	21.0
149.09636	3.1
149.13226	4.9
153.07080	1.4
155.08559	9.9
156.09340	10.2
157.10141	35.9
158.10873	5.0
159.11699	38.7
160.12483	1.5
161.13289	12.0
163.11215	1.6
163.14949	2.6
165.07034	2.5
167.08560	4.6
168.09326	2.5
169.10135	16.7
170.10875	5.5
171.11693	21.9
172.12457	2.9
173.11789	1.6
173.13271	23.0
175.14844	35.3
179.08496	5.4
180.09457	2.7
181.10133	8.7
182.10924	7.4
183.11693	17.1
184.12433	3.2
185.13280	14.9
186.14009	1.5
187.14842	13.9
189.16367	2.8
191.14377	1.6
192.09328	2.1
193.10161	6.4
193.15855	1.8
194.10887	4.6
195.11703	13.7
196.12503	5.5
197.13266	22.3
198.14027	2.3
199.14839	8.6
201.16391	14.8
205.15894	1.3
206.10870	2.0
207.11705	7.3
208.12450	3.6
209.13258	13.0
210.13997	3.0
211.14877	11.1
213.16414	6.0
215.17914	2.9
217.10170	1.3
217.15926	1.9
218.10979	1.3
219.11754	1.7
219.17426	2.5
220.12590	1.4
221.13371	6.5
222.13972	1.7
223.14835	14.1
224.15518	1.2
225.16435	6.5
227.17964	2.7
231.11783	1.7
232.12468	1.3
233.13290	4.6
234.13971	1.9
235.14789	5.2
237.16400	4.9
238.17133	1.3
239.17961	4.6
241.19522	3.1
243.11839	1.5
245.13274	2.1
246.14133	2.0
247.14839	3.1
249.16437	5.0
251.17995	4.2
253.19466	4.1
255.21107	1.6
257.19067	2.6
259.14749	2.3
259.20578	2.4
261.16470	3.4
263.18021	3.7
264.90195	1.3
265.19528	3.5
267.21094	5.1
271.20691	1.9
273.16074	1.5
275.17947	2.7
276.18732	1.3
277.19501	3.3
279.21143	3.1
283.20535	2.8
285.22113	3.2
289.19571	2.9
291.21323	1.7
311.23514	1.6
317.22632	1.4
331.24170	1.6
337.24942	1.4
338.11960	1.3
345.25894	4.7
349.25165	1.8
359.27194	1.5
385.28732	1.9
397.28677	1.4
399.30573	1.3
411.30670	2.0
429.31464	3.7
459.36301	1.6
477.34995	1.8
495.35645	2.3
533.41406	5.8
539.43463	1.2
551.42517	31.9
551.50928	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.4252
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	6.2
55.05512	15.4
57.07076	11.9
59.05001	2.1
65.03941	2.6
67.05508	25.4
69.07069	18.7
70.91071	2.4
70.91419	3.4
79.05502	24.3
81.07060	42.5
81.28362	1.9
83.08612	6.3
85.06594	1.9
91.04980	3.0
91.05489	38.7
93.07046	55.7
95.04982	5.0
95.08059	3.5
95.08614	41.1
97.10184	2.5
100.40578	1.8
103.05438	2.4
105.07041	68.4
107.08603	55.1
109.06522	2.0
109.10164	41.9
110.79984	1.7
115.05476	4.3
117.07046	13.9
119.08591	100.0
121.10149	44.8
123.08049	3.0
123.11716	16.4
128.06212	4.6
129.07043	9.6
130.07796	4.6
131.08582	34.5
133.10136	53.9
135.11708	38.4
137.09615	3.6
141.06976	4.7
142.07809	13.6
143.08562	22.2
144.09346	7.2
145.10132	69.7
147.11685	21.4
149.13243	5.7
150.36314	1.9
151.14696	2.0
151.34834	1.9
153.07085	2.4
155.08537	8.8
156.09293	9.2
157.10135	42.7
158.10915	5.5
159.11705	38.3
159.13017	2.6
161.13280	12.1
163.11110	3.2
165.06978	2.6
166.58449	1.8
167.08617	5.1
168.09274	3.3
169.10141	15.7
170.10912	4.2
171.11694	20.2
173.13286	27.3
175.14833	39.4
179.08549	5.9
181.10117	9.6
182.10925	5.5
183.11667	13.2
185.13271	16.8
187.14792	13.6
189.16394	3.8
193.10141	6.2
193.15834	2.5
194.10895	4.4
195.11699	14.9
196.12457	4.6
197.13248	18.6
199.14789	7.9
201.16331	12.5
206.10881	3.2
207.11667	7.2
208.12395	4.0
209.13202	11.1
210.13972	2.3
211.14726	12.5
213.16327	5.1
219.11815	2.8
219.17455	4.8
220.12646	2.2
221.13234	9.5
222.14113	2.8
223.14761	8.1
225.16447	4.0
233.13283	2.9
235.14806	6.0
237.16452	5.6
239.17989	2.8
241.19588	3.6
247.14928	4.3
249.16287	3.1
251.17906	5.3
253.19405	3.9
261.16479	4.0
265.19547	3.4
267.21072	6.1
277.19534	3.9
293.22617	2.6
327.07965	5.3
345.25690	3.5
349.25574	3.3
385.29227	2.6
391.30203	2.1
411.30487	3.0
429.31390	2.7
495.26407	6.0
495.36203	3.7
533.41309	2.6
536.59302	2.1
551.34595	2.5
551.42639	32.2
551.50208	3.3
552.43079	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	551.354
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	0.3
55.05512	0.7
56.05040	2.6
57.03428	0.3
57.07061	0.2
61.02920	0.3
67.05509	1.6
69.03438	1.0
69.07076	0.4
70.06608	0.3
71.04998	0.3
71.51703	0.2
79.01950	0.2
79.05510	0.7
81.03416	0.6
81.07056	1.2
83.05003	0.3
83.08626	0.3
84.08144	100.0
85.02905	2.1
85.06535	0.3
85.08485	0.5
86.09722	0.2
89.03486	0.2
91.05499	0.4
93.07047	0.4
95.04977	0.2
95.08583	1.1
97.02914	0.6
97.06538	0.2
101.10762	0.2
102.09172	0.3
103.03825	0.2
103.05486	0.3
105.07033	1.0
107.05025	0.2
107.08597	0.4
109.10167	0.6
111.08073	0.3
112.07626	0.4
119.04908	0.2
119.08581	0.4
120.08056	0.2
121.10162	0.5
123.04439	0.3
123.11682	0.2
127.03918	0.4
128.07109	0.4
129.10251	1.7
130.08644	9.5
131.04950	0.4
133.06511	0.2
133.10165	0.5
137.06003	0.8
145.04929	0.3
145.43365	0.2
146.72130	0.2
147.11270	3.8
151.07529	0.2
154.83171	0.2
159.01672	0.2
161.05966	0.7
164.10687	0.2
167.07028	0.3
176.10721	0.2
177.05508	0.3
181.04982	0.7
191.07001	0.3
209.08107	0.6
290.24762	1.3
308.25824	4.8
313.02905	0.2
326.26978	0.2
341.51804	0.2
353.27963	2.9
353.44760	0.2
357.10782	0.2
359.14871	0.2
371.29047	25.5
372.29456	0.4
389.30103	28.7
390.30417	0.4
417.31134	0.4
435.32150	0.2
461.29874	0.2
467.31174	0.3
492.44571	0.2
533.34534	0.2
551.20795	0.6
551.35400	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.224
Annotation	Unknow
Peak:m/z	Relative Intensity
57.85215	0.6
69.03418	1.5
71.51855	0.8
72.08157	0.6
81.03415	0.8
85.02902	1.9
91.05477	1.5
109.02882	0.8
117.07008	1.1
118.06541	21.1
130.06529	1.9
132.08087	5.1
142.06519	2.3
143.07298	2.1
144.08076	12.8
145.57690	0.6
146.06017	59.5
147.04321	0.8
147.06328	0.7
155.06158	0.7
159.09187	5.9
166.60962	0.7
167.07059	1.1
170.06006	5.0
188.07072	100.0
189.07428	1.2
205.09727	39.5
314.34894	0.8
384.58386	0.6
404.54596	0.7
551.12073	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25789	0.2
53.03941	0.4
60.13585	0.2
69.03419	0.2
69.94277	0.3
70.81833	0.7
79.05497	0.7
85.02917	0.5
89.00572	0.2
91.05486	0.6
93.07045	1.0
97.02898	0.3
98.97610	0.3
101.92033	0.2
103.05469	6.3
107.04958	1.3
120.08109	100.0
121.06519	0.2
121.08444	0.9
127.03925	0.3
131.04929	2.6
145.04959	0.4
149.06000	2.3
155.74062	0.2
166.08646	51.9
167.08939	0.5
177.00647	0.2
214.02512	0.2
286.72934	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.4114
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	5.7
53.99028	2.9
54.86374	4.0
54.97043	4.4
55.01879	12.8
55.05521	30.1
56.05824	4.5
57.03452	23.4
57.07076	13.6
60.04533	15.8
60.34997	3.4
65.03931	4.6
67.05516	100.0
69.07080	34.6
71.04994	8.7
71.08636	7.1
79.05505	72.3
81.03434	6.1
81.07066	82.1
82.60004	3.5
83.05003	20.6
83.08652	17.3
91.05499	36.2
93.07058	80.9
94.07318	3.8
95.04975	11.0
95.08624	66.5
97.06543	25.6
97.10196	18.4
98.21512	11.3
105.07039	19.4
107.08611	51.0
109.10178	29.2
111.08114	4.1
117.07037	12.3
119.08578	23.2
121.10167	27.4
123.11721	7.3
125.09660	3.9
131.08609	12.3
133.10146	16.6
134.10527	4.3
135.08183	3.7
135.11702	76.9
137.13306	4.4
145.10175	12.5
147.11716	7.5
149.13307	5.7
153.12755	11.4
159.11653	4.8
161.13260	8.2
163.11198	11.3
173.13268	5.9
181.12286	20.8
199.38533	4.4
203.09413	3.8
235.58818	3.8
243.21170	5.2
250.64032	4.4
255.15965	95.3
260.23776	7.9
261.22128	17.9
278.24890	4.0
335.25839	88.4
336.26395	3.9
424.84821	3.7
511.16702	4.2
514.46411	4.3
515.37445	70.5
550.42529	4.1
550.48657	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	551.1401
Annotation	Scutellarein 7-xylosyl-(1->2)-xyloside
Peak:m/z	Relative Intensity
54.30231	0.7
55.01867	1.9
57.03445	10.8
61.02940	3.5
69.03434	14.2
70.83504	1.9
71.01343	1.7
73.02925	25.1
79.05491	1.0
81.03397	1.5
81.07045	1.0
83.04967	1.2
85.02917	7.7
87.04460	1.3
88.89484	0.8
91.05499	1.0
97.02898	22.9
99.04430	1.5
103.03965	0.7
103.05449	0.8
107.04942	0.8
109.02895	0.8
111.00800	0.8
115.03935	11.7
121.02875	9.2
123.04411	0.9
129.07042	1.0
131.04948	1.3
133.04926	1.3
137.05910	1.8
147.04431	1.6
153.01846	4.6
157.06522	0.9
165.01801	2.3
167.07014	1.7
172.06776	0.7
175.04016	0.8
177.05386	0.7
181.04936	1.2
183.02966	1.5
185.05908	0.9
191.53589	0.8
193.54199	0.8
211.06079	4.9
213.05487	1.5
247.07990	0.9
258.05170	1.0
259.23148	0.7
283.05899	1.6
286.04678	1.2
287.05521	100.0
288.05872	1.2
297.07559	1.3
299.05518	15.9
300.06354	2.3
311.05475	4.5
313.07065	4.1
316.97827	0.7
322.78973	0.8
323.05566	1.8
325.07071	5.1
329.06564	14.1
337.07108	6.3
341.06418	1.1
353.06555	12.9
355.08267	1.0
365.06595	5.6
371.15045	1.3
383.07632	21.2
401.08575	7.7
419.09769	22.1
467.48599	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2542
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	6.4
55.01860	5.7
55.05516	9.0
55.12645	2.1
57.03448	11.1
59.04991	2.0
59.53639	1.8
60.89146	1.8
61.02922	8.8
65.03930	2.6
67.05511	9.5
69.03429	30.2
69.07054	5.4
71.05000	3.5
71.51340	2.7
72.08136	2.6
73.02911	3.3
79.05503	11.9
81.03428	13.7
81.07069	12.4
83.04976	16.2
84.04499	2.3
84.08156	3.2
85.02911	79.8
85.06558	3.3
86.09666	1.8
87.00826	4.1
87.04460	2.3
91.03929	3.3
91.05481	21.9
93.07053	16.9
94.04177	2.9
95.04951	7.1
95.08604	11.5
97.02898	31.2
97.06532	3.5
99.04430	5.7
103.05453	6.4
105.01859	2.5
105.07037	60.4
107.04942	5.5
107.08592	15.8
109.02902	10.2
109.06516	9.7
109.10178	6.6
111.08058	2.1
115.03937	2.1
115.64342	1.6
117.06998	6.5
119.04944	1.9
119.08588	59.3
120.08083	2.6
121.06498	8.4
121.10143	7.7
122.03638	3.4
123.04413	2.2
123.08065	20.4
127.03934	24.6
128.06198	2.6
131.04930	4.6
131.08603	10.4
133.06505	1.9
133.10139	10.1
135.08073	13.3
137.05984	59.6
137.09581	6.2
143.08531	6.3
145.04977	22.9
145.10095	10.1
147.04416	2.0
147.08025	6.8
147.11694	76.8
148.12039	2.2
149.06018	3.0
149.09633	16.5
151.03915	5.1
151.07512	7.9
151.11191	9.8
153.05452	2.7
157.10086	2.8
159.08041	4.5
159.11723	4.3
161.09671	15.6
161.13263	5.0
163.06104	1.8
163.11182	7.8
165.09106	6.4
165.11418	4.0
165.12767	72.7
167.07050	7.3
173.13283	3.8
177.09071	15.3
177.12700	9.5
179.10699	2.2
181.04962	9.2
181.12137	2.0
183.11621	2.9
189.09100	16.0
189.12700	12.6
195.10167	3.5
201.12756	4.3
207.10518	11.3
207.13812	100.0
209.15399	3.8
217.12233	2.5
219.13812	5.0
225.11337	4.0
225.14873	30.6
229.12256	5.8
231.98238	1.8
235.13345	3.7
247.13329	10.3
249.33862	2.3
253.14430	3.1
265.14346	15.3
283.15439	16.4
301.16394	8.6
311.15326	1.9
349.51291	2.2
357.13312	6.8
369.19135	12.2
387.14365	7.1
387.20026	5.2
549.18866	20.8
549.26959	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	549.4158
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02290	2.7
52.90686	2.1
53.03942	4.3
55.01868	3.7
55.05517	29.2
56.10462	2.6
57.03434	10.2
57.07067	5.4
57.37696	2.3
67.05511	79.4
69.03387	2.6
69.07070	25.4
69.22195	3.4
69.22598	20.9
71.04985	10.2
73.23434	2.3
79.05503	42.9
81.07067	100.0
83.04974	4.6
83.08622	18.8
85.06536	6.2
91.05498	34.6
93.07056	54.3
95.04958	5.8
95.08617	94.9
97.06116	2.1
97.06554	20.7
97.10165	4.5
99.08092	4.9
105.07050	29.6
107.08601	31.8
109.06528	4.0
109.10165	26.5
111.08089	4.2
117.07029	7.9
119.07950	2.5
119.08608	31.0
121.10149	24.0
123.08035	3.3
123.11723	10.7
129.07057	3.0
131.08575	12.6
133.10139	22.5
135.11691	18.2
137.09598	5.5
137.13281	4.6
145.10141	9.8
147.11691	7.6
147.52371	2.2
149.13274	7.2
157.10172	4.9
159.11696	8.6
161.13245	35.3
163.14821	7.0
169.28308	2.4
173.13211	6.8
177.16380	2.9
179.14331	20.5
187.14743	3.3
243.21101	5.6
253.17998	12.2
261.22147	27.8
269.17438	3.1
271.18970	15.0
279.23264	8.1
317.24930	3.9
335.25824	38.9
337.27371	5.0
353.26816	5.4
439.35767	4.9
457.36792	8.9
513.39691	3.4
531.40460	27.9
549.41412	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	548.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02240	0.2
62.87272	0.3
67.94438	0.2
69.20254	0.6
69.20670	2.2
71.43594	0.2
75.55489	0.3
98.20774	0.4
104.43678	0.3
111.06976	0.3
120.07495	0.3
234.11382	0.2
374.15048	0.6
375.01132	0.3
376.16293	0.3
377.18521	0.3
387.15982	0.8
388.16379	1.7
389.17245	1.9
390.17807	1.4
401.18063	0.7
402.18158	2.8
403.18951	3.3
404.19553	5.1
405.20370	0.8
415.19403	0.5
416.20300	1.5
417.15857	0.5
417.20993	2.7
418.21252	5.3
419.21960	2.5
420.22610	0.4
430.17276	0.8
430.21976	0.6
431.18488	2.6
431.23004	1.0
432.18378	6.8
432.23740	0.8
433.19968	0.3
433.24146	3.0
434.24258	12.1
445.19312	2.0
446.19986	9.6
447.21158	4.0
458.20578	0.3
459.21350	0.7
460.21616	4.0
461.22897	15.1
462.23715	12.4
473.23151	0.5
474.23694	4.1
475.24719	1.9
488.25616	1.3
489.26035	0.8
490.23273	0.3
505.25711	0.6
516.24860	0.4
520.27911	2.7
533.25159	1.6
548.27411	100.0
549.27557	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	5.8
55.01884	5.0
55.05508	10.8
57.03433	12.1
59.04995	8.3
65.03947	3.9
66.95920	2.7
67.05502	11.8
69.03431	30.8
69.07047	4.2
69.31627	10.2
69.32043	16.8
71.04999	5.3
73.02907	3.5
75.26318	3.2
79.05511	15.8
81.03435	16.6
81.07053	14.6
83.04993	30.4
85.02908	63.4
87.00810	5.9
91.05492	23.1
93.07053	17.9
95.04981	8.0
95.08622	16.7
97.02897	24.9
97.06560	3.6
99.04437	5.7
103.05458	5.6
105.01890	4.9
105.07043	55.1
107.04958	13.5
107.08596	11.4
109.02880	8.4
109.06509	7.4
109.10194	6.9
115.05485	4.5
117.07029	12.6
119.08596	52.0
121.06495	4.1
121.10168	3.4
122.03631	10.1
123.04433	3.1
123.08108	15.3
127.03938	22.3
127.58267	3.2
128.06174	3.8
131.04930	8.4
131.08559	12.8
132.30974	3.4
133.06508	4.2
133.10141	17.1
133.11078	4.2
135.08057	8.8
137.05988	100.0
137.09656	16.3
138.87427	3.3
143.04950	3.6
143.08543	11.0
145.04970	16.7
145.06438	3.6
145.10127	20.2
147.08022	16.8
147.11693	50.3
147.12816	4.9
149.09628	16.6
151.03958	7.5
151.07562	8.5
151.11208	6.1
157.10034	4.1
159.08067	9.8
161.09634	46.2
161.13245	3.9
163.06076	4.0
163.11099	5.1
165.09117	15.8
165.12761	42.7
167.07066	13.4
171.08049	3.9
173.06059	3.9
175.07541	4.4
177.09134	27.6
177.12782	4.2
179.10661	5.9
181.04953	17.6
181.12346	3.6
183.11679	4.3
189.09106	35.0
189.12750	13.8
195.10201	5.3
196.04297	3.1
201.12735	9.7
207.10229	23.8
207.13829	68.0
217.12204	7.7
219.13861	9.2
225.11259	11.1
225.14830	13.7
229.12320	9.6
235.13289	7.7
247.13225	19.8
254.07761	3.0
265.14438	24.5
283.15393	29.8
301.16541	18.6
357.13376	13.9
369.19095	13.5
387.14499	11.0
387.19659	4.7
457.24890	3.7
537.34991	3.2
549.19159	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	547.4004
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	9.6
55.01866	8.5
55.05516	56.1
57.03424	13.9
57.07070	11.1
59.05011	3.1
65.03939	7.0
67.05510	94.2
69.03423	5.7
69.07078	37.8
71.05025	6.8
71.08615	6.9
71.51758	4.8
72.04511	11.5
72.08158	2.8
73.07755	2.8
75.94431	2.9
79.05500	52.7
81.03425	42.2
81.07065	95.2
83.04973	10.4
83.08630	39.6
85.02911	6.5
85.06555	6.0
91.05481	54.7
93.07048	50.7
95.04965	25.3
95.08612	64.8
97.06552	16.5
97.10165	22.9
105.07032	42.7
105.62953	3.4
107.04946	11.7
107.08611	34.8
109.06507	4.7
109.10170	29.2
111.04473	3.8
111.08074	10.7
117.07025	9.8
119.08588	29.4
121.06516	7.6
121.10129	27.1
123.08056	6.0
123.11697	10.7
125.09660	7.1
129.06999	9.0
131.08591	19.6
133.06505	5.9
133.10155	23.8
135.08051	7.9
135.11711	13.6
137.09534	3.1
143.08568	8.1
145.10135	14.2
147.11667	17.4
149.09605	8.7
149.13290	8.2
151.11136	4.7
155.08588	3.8
157.10147	12.2
159.11699	9.0
161.13300	4.5
163.11183	6.5
163.14804	5.0
165.12747	5.3
165.16423	3.5
173.13278	3.8
175.11172	7.5
175.14848	6.9
177.12955	4.0
177.16484	4.9
179.14339	3.3
189.11270	4.8
189.16258	4.6
193.12250	28.7
211.13255	15.2
223.13393	4.6
227.12831	8.1
245.22696	8.2
263.23669	6.5
267.15948	40.0
289.21832	3.9
299.67609	3.1
303.26785	14.3
337.27448	29.3
366.81073	3.3
366.97006	3.0
443.86627	3.0
455.35028	15.1
473.36151	13.3
475.35776	2.9
511.63644	3.7
529.31812	2.2
529.38855	60.3
547.39905	100.0
561.12048	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	547.4004
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	9.6
55.01860	4.6
55.05521	27.7
57.03428	10.9
57.07087	6.4
65.03934	4.6
65.78455	3.2
67.05514	95.6
68.05828	7.6
69.07082	24.9
71.05000	8.5
79.05499	55.0
81.03404	12.7
81.07059	100.0
82.07404	5.2
83.04969	9.7
83.08626	22.1
85.02917	3.9
85.06511	8.6
85.47456	4.2
91.05489	41.9
92.05836	4.0
92.17113	3.7
93.07051	65.3
95.04971	10.4
95.08611	56.1
96.08953	3.7
97.06518	11.4
97.10157	10.8
98.20705	6.9
105.07035	42.1
107.08600	33.1
109.06523	5.6
109.10168	23.6
111.08061	6.7
112.13890	3.1
117.07014	13.8
119.08595	33.3
121.10141	26.3
121.10886	5.4
123.04474	4.5
123.11702	11.2
124.11961	3.8
125.09601	4.2
129.07028	7.2
131.08565	22.9
133.10146	26.5
134.26259	3.9
135.11668	14.5
143.08548	4.9
145.10155	18.6
147.11707	20.6
149.09657	6.1
149.13298	15.9
157.10066	8.2
159.11702	18.8
161.13252	7.6
163.14786	5.0
165.12814	4.8
173.13261	8.4
175.14902	4.2
183.11790	4.0
185.13368	6.7
187.14813	8.5
189.16443	3.4
197.13281	3.7
199.14827	3.5
201.16478	3.4
241.19614	4.5
243.21068	5.2
261.22214	16.4
267.16003	6.5
268.39142	3.9
269.17545	15.7
289.21506	3.3
317.24722	4.4
335.25726	12.9
378.51434	3.7
437.34152	17.4
449.59637	3.7
455.34930	13.5
473.36169	9.1
503.36481	4.4
529.38855	66.6
547.39935	65.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3996
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.6
55.01869	2.9
55.05518	22.5
57.03442	9.2
57.07072	3.4
60.70885	1.5
63.50071	1.5
65.03925	4.0
67.05509	82.2
69.07073	22.4
70.39308	1.6
71.04984	3.2
71.08664	2.7
71.17110	3.2
73.80568	1.4
79.05495	46.2
81.03400	2.6
81.07062	100.0
83.04967	4.6
83.08620	15.4
85.06551	4.8
91.05486	30.9
93.07043	56.0
95.04982	6.5
95.08614	55.1
97.06525	6.8
97.10172	5.4
99.08096	3.0
105.04522	2.5
105.07040	31.1
107.08602	35.5
109.06534	2.5
109.10162	26.2
111.08085	3.7
113.09656	1.4
115.05427	2.2
117.07033	9.1
119.08595	26.5
121.10139	28.3
123.08099	2.9
123.11729	11.7
129.07025	4.0
131.08580	19.2
133.10130	19.2
135.08041	2.6
135.11690	17.4
137.13232	3.7
141.07031	1.8
143.08566	4.5
145.10143	16.0
147.11661	15.7
149.13272	20.9
155.08484	1.8
157.10115	5.2
159.11705	15.6
161.13248	9.4
163.11198	3.2
163.14830	3.8
165.12813	3.6
171.11708	5.0
173.13191	7.9
175.14841	3.8
177.12787	4.5
181.10043	1.7
183.11740	4.0
185.13239	2.2
187.14856	4.5
195.13821	6.6
197.13310	1.4
199.14905	2.4
201.16475	2.0
202.34360	1.4
209.13306	2.7
209.43254	1.7
222.37027	1.4
229.14326	2.9
243.21164	2.5
247.20613	3.6
249.18463	1.7
259.20615	2.5
261.22192	22.4
263.23590	1.7
267.15887	5.5
267.49210	1.8
269.17505	20.8
299.23553	2.5
301.25262	3.4
317.24591	3.2
333.24451	1.5
335.25885	17.9
411.32330	1.9
437.34268	10.3
455.35422	9.3
473.36246	9.3
503.37549	2.4
511.37790	2.3
529.38953	58.8
547.32843	1.9
547.40131	35.0
570.19806	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1726
Annotation	Unknow
Peak:m/z	Relative Intensity
60.13321	0.5
66.30914	0.4
69.80915	2.3
69.81298	0.9
82.99882	1.6
98.97593	1.4
101.00890	11.3
110.97600	0.5
113.00873	1.7
115.02412	0.9
119.01928	12.4
127.02441	1.1
131.01906	1.9
133.03474	0.9
134.32994	0.5
134.68752	0.6
139.02402	2.7
140.98520	0.5
143.01904	5.8
145.03439	2.6
151.02405	0.6
155.01910	3.2
157.03468	21.1
161.02931	3.2
163.04509	1.9
167.01869	2.6
169.03468	3.4
171.04971	0.5
173.02846	2.4
175.04549	8.9
179.01857	1.0
185.02971	7.0
187.04558	1.7
197.03018	2.5
201.00674	0.7
203.04018	1.4
205.05510	5.5
209.02887	0.6
215.03984	1.2
219.01826	0.8
222.54324	0.5
223.06641	42.3
224.06821	0.8
227.04007	1.8
237.02844	0.5
241.07745	3.7
245.05095	19.5
246.04958	0.5
246.08163	0.6
257.05087	1.1
261.02823	0.8
263.06137	2.0
265.07706	100.0
266.07861	2.5
275.06094	2.7
277.07748	2.9
279.09161	0.7
289.07755	4.2
295.08936	3.7
301.07721	2.5
305.07217	1.9
321.04971	0.7
325.09790	7.1
331.08710	0.8
335.08044	0.6
337.09793	2.0
349.09845	2.3
365.09238	2.8
367.10989	4.3
373.36041	0.5
475.56339	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.2681
Annotation	Unknow
Peak:m/z	Relative Intensity
56.30424	0.2
56.52598	0.2
58.35775	0.1
66.70889	0.1
69.15954	0.6
69.16373	1.0
93.05794	0.1
97.71590	0.2
98.20756	0.3
107.72996	0.2
119.15149	0.2
137.58995	0.2
150.74084	0.1
151.31783	0.1
183.09175	0.2
195.09225	0.2
196.09894	0.2
197.10971	0.2
207.09264	0.5
209.10776	0.4
233.10786	0.2
235.12340	0.3
237.13786	0.2
259.12161	0.2
286.13470	0.2
298.13419	0.2
310.13431	0.2
312.14902	0.3
322.13400	0.3
324.14645	0.2
335.14154	0.2
336.14822	0.2
338.16629	0.2
348.15057	0.2
361.16037	0.2
362.28891	0.2
372.14413	0.3
373.10422	0.2
373.14661	0.7
374.15720	0.3
375.16656	0.2
376.17978	0.3
384.15045	0.2
385.15634	0.2
386.15952	0.5
387.16046	2.0
388.16898	1.7
389.17743	2.1
390.19360	0.3
399.16470	0.2
400.17706	0.5
401.17883	2.8
402.13672	0.3
402.18494	2.8
403.19220	8.1
404.19864	1.0
405.21130	0.2
414.19144	0.3
415.15216	0.7
415.19958	2.1
416.15549	0.4
416.20605	2.4
417.20941	7.4
418.21616	3.3
419.21973	0.4
429.16925	0.7
429.21201	0.7
430.17020	2.6
430.22375	0.8
431.18176	8.5
431.23355	0.9
432.18756	0.6
432.24146	1.4
433.23987	17.5
434.24518	0.4
443.18698	0.6
444.19501	0.8
444.24420	0.2
445.19772	12.0
446.20755	4.5
457.20401	0.3
458.21100	0.6
459.21347	3.6
460.22580	18.6
461.23398	16.1
462.23853	0.4
472.22684	0.2
473.23398	4.7
474.24280	2.1
487.25082	0.8
488.26004	0.7
489.23132	0.4
504.25275	0.8
515.24329	0.3
517.21722	0.3
518.23193	0.2
519.27594	2.6
531.23651	0.2
532.24835	1.4
547.27094	100.0
548.27356	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.4524
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79685	7.7
54.84214	6.9
55.05497	8.7
56.59489	7.8
57.07064	11.1
61.74601	7.4
64.23861	7.3
64.25636	7.2
67.05509	22.2
69.07061	13.5
72.08140	11.2
74.09724	13.7
79.05482	15.4
81.07056	29.7
82.15112	8.3
83.08559	11.5
89.06051	8.2
91.05499	14.4
93.07047	21.5
95.08589	24.2
105.07035	14.0
107.08570	15.7
109.10166	10.0
119.08607	18.7
121.10152	24.4
123.11737	8.9
133.10143	9.8
135.11641	10.3
147.11696	8.9
149.13220	22.8
159.11713	15.5
161.13329	10.4
181.23329	7.9
185.54211	7.6
201.16495	14.3
203.17900	31.9
227.18004	10.3
229.52199	7.6
233.19019	13.1
251.20099	26.2
283.24207	11.4
292.39777	8.6
423.36255	100.0
441.37112	32.8
501.39224	23.9
546.45679	56.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1734
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96574	4.8
57.03437	1.7
61.02930	0.8
61.81051	0.5
69.03444	3.4
71.01377	1.6
71.38391	0.8
73.02912	1.3
74.97615	0.6
78.58029	0.6
78.66012	0.5
81.03399	0.7
82.99870	1.0
84.96037	2.8
85.02913	5.4
87.04504	0.9
91.03936	0.8
97.02879	3.8
98.97602	14.3
101.00278	1.2
101.00901	12.0
110.97605	5.2
112.99174	1.3
113.00900	1.8
115.02411	1.2
116.98645	4.0
119.01937	15.8
121.01659	1.1
127.02415	1.3
127.03936	2.3
128.98624	3.2
129.01904	1.0
131.00194	1.5
131.01947	4.5
133.01691	1.2
133.03481	2.9
134.99640	0.7
137.02998	1.5
139.02435	1.4
140.98671	0.6
143.00162	2.0
143.01895	6.9
145.01628	0.9
145.03456	4.4
145.04987	0.7
146.99678	1.2
147.03299	1.0
147.04375	1.2
155.01930	4.8
156.98108	2.1
157.03490	20.8
158.99677	4.1
159.01402	1.7
159.05144	0.7
161.01196	3.7
161.02983	6.9
162.99144	0.7
163.02742	0.8
163.04541	1.8
167.01904	3.0
169.03487	3.2
170.99713	2.7
171.01297	0.7
171.05133	0.9
173.01347	1.4
173.02968	4.8
173.04607	0.8
174.99213	2.3
175.02911	1.2
175.04547	11.5
177.00757	3.0
179.02078	2.6
181.05547	1.5
182.99629	1.3
185.03001	7.7
186.99135	0.9
187.02892	1.0
187.04562	2.7
189.00719	2.3
189.02264	0.8
191.02248	1.4
192.04662	1.3
193.05658	0.8
197.03050	4.7
201.00813	4.1
201.02463	1.2
203.02327	1.1
203.04076	2.8
205.05571	4.8
209.03204	1.7
211.04610	0.6
213.00873	0.9
214.98657	1.2
215.04054	1.8
219.01756	4.6
219.05171	0.8
221.03368	0.7
221.05183	0.8
223.06662	45.3
224.06721	1.2
227.04007	1.3
237.02849	2.9
239.04382	2.4
241.07805	5.3
243.01782	1.1
245.05116	22.6
246.05388	0.7
247.01527	0.8
247.04843	2.2
249.08334	0.7
254.03389	0.8
257.05243	1.7
261.02725	4.6
263.06201	1.8
265.07733	100.0
266.07916	2.3
273.02930	0.7
275.06293	2.9
277.02393	1.2
277.07867	3.1
279.03864	3.0
284.02823	0.8
288.06070	0.8
289.07657	2.9
291.03998	0.9
293.07275	0.8
295.08859	3.6
301.07730	3.3
305.07089	1.8
307.08304	0.8
309.10651	0.6
321.04907	2.1
325.09790	7.9
331.03433	2.3
331.08981	0.8
335.08310	1.2
337.10083	4.1
345.01196	1.4
349.04642	1.1
349.09912	1.7
351.06995	0.7
351.11441	1.7
365.09525	3.7
367.06281	0.7
367.11002	5.4
368.10306	0.8
373.04312	0.6
381.07193	1.1
461.09760	2.1
481.08640	1.3
499.10175	1.0
509.00729	0.7
529.10815	2.1
547.12537	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.3649
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	2.9
55.05504	10.9
57.03446	4.7
61.02929	7.3
63.01307	2.8
65.03892	2.8
67.05511	52.7
68.05849	2.9
69.03432	5.0
69.07064	9.3
71.51331	4.6
78.71194	2.8
78.97887	3.0
79.05505	32.9
81.03410	4.3
81.07069	66.5
82.07398	3.2
83.08612	8.2
85.02915	5.2
85.06532	3.4
86.09702	4.5
90.77022	2.9
91.05489	18.0
93.07053	45.2
95.08621	48.2
97.02901	5.2
105.07053	14.2
107.08601	30.0
109.10174	32.7
117.07074	3.3
119.08576	11.6
121.10148	25.8
123.08051	5.9
123.11732	17.3
127.03922	3.4
131.08563	12.2
132.08943	3.2
133.10121	11.6
135.11710	21.8
137.13245	7.5
142.63632	3.2
145.10143	12.5
147.11703	11.3
149.13286	19.8
159.11687	11.3
161.13268	11.1
163.14815	11.9
173.13283	13.4
177.16400	6.3
184.07289	15.3
187.14792	8.6
201.16434	3.0
233.22787	4.8
243.21155	27.4
261.22174	100.0
279.23138	4.1
302.25455	3.4
335.25858	23.1
353.26846	31.9
405.29785	9.4
528.36981	3.7
546.38208	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	546.3638
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	9.2
57.03443	4.6
61.02918	9.4
67.05511	42.8
69.07075	9.7
71.51884	4.4
73.02917	3.8
79.05486	26.7
81.07059	45.0
83.08630	5.9
85.02899	5.7
86.09721	6.5
91.03986	4.0
91.05485	15.3
91.77455	3.4
93.07047	33.4
95.04900	3.9
95.08624	43.3
97.02926	2.7
104.10761	12.0
105.07042	12.3
106.07324	4.3
107.08578	21.6
109.10165	24.9
117.07023	6.6
119.08575	11.3
121.10149	23.6
123.08116	5.5
123.11720	12.9
124.99976	4.1
131.08574	12.8
133.10141	10.7
135.11678	18.6
137.13229	5.8
145.10126	17.8
147.11684	6.9
149.13272	17.2
159.11693	12.6
161.13229	11.5
163.14836	14.1
173.13290	11.4
179.14430	7.3
184.07373	10.6
187.14897	9.8
233.22780	4.9
243.21094	34.9
261.22150	100.0
284.98563	3.7
304.22971	3.5
311.04001	3.4
335.25858	12.3
345.70364	3.6
353.26865	27.8
389.44894	3.9
405.30084	17.1
546.38580	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	546.3281
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	8.6
54.50990	3.6
55.01873	8.2
55.05501	8.8
57.03436	7.2
57.07088	5.1
61.02913	8.7
67.05508	15.3
69.03441	37.6
69.07062	13.9
70.66158	6.9
70.66499	6.2
70.98967	3.5
71.04978	7.6
73.02911	7.8
79.05489	8.8
81.03426	31.0
81.07072	56.6
83.08628	10.1
85.02914	100.0
85.06543	7.6
87.00842	33.4
91.05487	12.1
93.07039	23.1
93.44558	3.3
95.04962	5.3
95.08612	51.7
97.02905	32.2
97.10165	5.6
99.04466	11.4
99.08044	3.6
100.87194	3.4
105.01884	26.6
105.07015	19.4
107.08608	30.3
109.02923	26.0
109.10158	32.1
117.06983	4.4
119.08587	13.1
121.10151	38.5
123.08100	3.4
123.11724	35.1
125.09676	4.0
127.03938	60.0
131.04919	6.6
131.08589	5.0
133.10143	15.8
135.08066	4.4
135.11717	20.9
137.13310	23.5
139.11185	6.2
145.04968	24.0
145.06659	3.7
145.10110	8.8
147.11700	9.4
149.13274	14.8
151.11015	3.9
151.14786	4.2
159.02905	21.4
161.13243	4.9
163.14844	8.5
168.02069	3.4
175.14893	10.3
177.16396	31.8
189.16405	7.6
195.17458	10.8
203.18071	3.9
231.05054	8.8
245.22678	29.0
249.06075	3.7
263.23804	21.3
371.25696	4.5
410.14713	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	546.3194
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.5
55.01865	2.2
55.05266	1.1
55.05516	5.7
57.03436	3.9
57.07072	1.8
61.71529	1.1
66.21809	1.1
67.05510	8.8
69.07067	8.9
71.07702	2.1
71.08625	5.7
79.05488	4.6
81.07068	12.2
82.38213	1.1
83.04971	2.2
83.08624	4.1
85.06555	1.8
91.05478	3.0
93.07051	8.6
95.04979	1.1
95.08613	11.3
97.06527	3.9
98.98466	4.2
99.08080	3.5
105.07052	8.8
107.08618	11.2
109.06515	8.3
109.10164	3.9
111.08093	1.6
119.08600	8.9
121.10155	6.0
123.08086	16.7
125.09704	1.2
131.08575	2.6
133.10161	8.0
135.08084	9.2
135.11691	1.9
137.09647	2.5
145.10139	2.9
147.11707	6.0
149.09596	2.0
149.13297	3.3
151.11244	1.4
157.10062	1.6
159.11705	3.2
161.09662	1.3
161.13239	2.3
163.11215	1.3
167.14420	1.9
171.65312	1.2
173.13254	2.0
175.14819	8.1
177.12735	2.7
177.16455	1.7
179.14334	26.4
186.34177	1.3
193.15923	2.8
205.15932	4.9
216.76035	1.3
263.20145	1.5
269.12775	1.2
271.20322	1.2
289.21695	8.5
289.24512	1.2
293.20804	2.1
303.27051	1.3
319.22650	2.0
331.26379	10.7
347.25668	1.7
349.23663	1.8
349.27316	6.8
374.30545	1.8
375.28885	2.1
387.29016	7.6
405.30042	100.0
406.30597	1.2
503.27740	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	546.3194
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.3
55.05520	5.2
57.03444	3.2
57.07076	1.3
62.06096	0.7
67.05511	7.5
69.07074	7.4
71.05009	0.7
71.08633	4.8
71.18649	0.7
71.61987	0.8
78.71911	0.6
79.05504	4.8
81.07060	12.4
83.08629	3.4
85.06529	1.1
91.05490	4.1
93.07055	7.4
95.04986	0.9
95.08604	8.6
97.06541	2.0
97.10165	0.7
98.20734	1.6
98.98471	2.9
99.08100	2.0
105.07016	6.8
107.08600	9.1
109.06513	6.9
109.10162	3.5
111.08086	1.8
117.07005	1.2
119.08603	8.6
120.40250	0.7
121.06500	1.0
121.10164	4.9
123.08067	14.2
123.11718	2.1
124.78938	0.7
131.08554	1.9
133.10133	9.2
135.08072	8.3
135.11694	2.6
137.09618	1.2
143.08589	0.9
143.68349	0.7
145.10150	4.0
147.08092	0.7
147.11671	5.2
149.09601	1.6
149.13274	2.8
157.10173	1.0
158.98012	0.7
159.11691	2.4
161.09636	2.0
161.13271	1.6
165.12798	1.6
167.14325	1.4
169.10213	0.7
171.11671	0.9
173.13268	1.4
173.28123	0.7
175.14807	7.5
177.12753	3.1
177.16409	1.3
179.14328	21.4
193.15991	1.1
198.05258	1.0
205.15948	3.4
231.11641	0.7
231.15744	1.1
238.59991	0.6
263.20154	1.3
275.19937	1.1
289.21716	7.7
289.24997	1.1
293.21140	2.1
303.26907	1.1
319.22897	1.6
331.26288	10.9
337.23605	1.4
347.25616	0.7
349.27393	7.0
361.27280	0.8
367.95035	0.7
369.27689	1.6
374.30423	1.9
375.28949	2.7
387.29083	5.6
405.30020	100.0
406.30460	2.7
485.26907	1.2
503.27682	5.1
546.31683	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.3193
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.0
55.01870	1.2
55.05513	6.5
57.03442	4.3
57.07066	2.0
62.06083	1.1
67.05170	0.8
67.05505	9.1
69.07070	7.8
70.63535	1.1
71.04984	1.1
71.08636	5.3
78.77744	0.6
79.05499	5.7
81.07063	14.7
83.04967	1.0
83.08627	4.1
85.06541	1.3
91.05473	4.8
93.06487	0.6
93.07046	7.3
95.04959	0.5
95.08607	10.5
97.06553	2.7
97.10147	1.3
98.98482	4.4
99.08102	2.6
103.05489	0.5
104.02277	0.5
105.07034	8.8
107.08601	9.4
109.06518	8.2
109.10148	4.6
111.08077	1.5
117.07000	0.8
119.08576	9.2
121.10152	5.6
123.08068	19.0
123.08966	1.0
123.11707	2.1
125.09618	1.4
129.07019	1.0
131.08537	2.6
133.10133	8.5
135.08058	8.0
135.11688	1.9
137.09601	1.7
137.13272	0.8
139.11156	0.6
143.08554	0.9
145.10129	4.2
147.11687	5.9
149.09628	2.4
149.13249	2.2
157.10098	1.3
159.11707	2.8
161.08398	0.6
161.09613	2.2
161.13271	1.4
163.11186	0.6
163.14825	1.1
165.12794	1.0
167.14337	2.1
171.11620	1.1
173.02008	0.7
173.13312	1.3
175.11295	0.5
175.14842	7.8
177.12749	3.2
177.16415	1.2
179.14320	24.8
191.14297	1.2
193.12204	0.7
193.15932	2.0
201.16350	0.7
205.15895	4.9
214.46555	0.6
216.06331	1.2
223.17006	1.0
231.15898	0.8
261.22150	1.3
263.20117	2.1
271.20660	1.1
275.20157	0.6
289.21637	7.4
289.25070	1.0
293.21057	2.4
303.26782	1.5
319.22687	1.6
331.26358	14.3
337.23813	0.9
349.23526	1.1
349.27383	6.7
361.27298	1.4
369.27881	1.2
374.30582	1.7
375.29059	2.5
387.28928	7.7
405.30008	100.0
406.30341	1.5
485.26578	1.7
503.27750	5.5
528.31018	0.8
546.31628	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3842
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	7.2
55.01855	4.1
55.05515	36.5
57.03431	12.1
65.03920	6.1
67.05513	76.4
67.25243	4.2
69.03439	4.6
69.07075	22.3
70.02900	3.6
71.04977	4.1
71.51227	4.1
79.05502	50.8
81.03432	22.5
81.07066	64.1
83.04975	10.3
83.08608	19.7
91.05479	42.3
93.07053	48.5
95.04983	20.6
95.08620	44.5
96.92699	3.7
97.06530	10.8
97.10175	17.2
105.07050	27.8
107.04932	8.6
107.08612	33.8
109.06525	8.9
109.10173	31.9
111.08111	5.0
117.07029	14.4
119.08600	31.0
121.06515	11.7
121.10159	17.3
123.08101	7.1
123.11709	10.3
125.09632	20.9
129.06998	10.6
131.08598	26.5
133.06458	5.7
133.10136	27.0
135.08069	5.5
135.11691	10.1
137.09633	6.5
141.06905	4.6
143.08553	10.7
145.10112	22.7
147.11699	17.4
149.13203	4.9
155.08487	5.3
157.10158	10.2
159.08075	4.8
159.11729	20.5
161.13423	6.7
163.11145	5.9
169.09924	4.1
171.11673	9.9
173.13303	10.7
175.14832	5.3
187.14909	5.6
189.11215	7.3
189.16278	5.3
193.12285	6.8
195.11630	4.6
197.13248	5.8
199.14752	5.0
227.12708	18.5
253.97430	3.9
261.22177	13.3
267.15970	17.0
285.22278	9.2
292.59799	3.7
301.22290	3.6
301.25165	21.8
317.24658	5.5
335.25916	17.3
421.25970	5.3
435.32770	11.3
453.33649	18.8
471.34692	7.5
527.37366	48.0
536.83124	4.1
545.30682	6.1
545.38464	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.2914
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03585	2.2
55.01861	8.1
55.05510	2.6
57.03448	12.4
57.03674	2.1
59.04992	4.0
61.02917	9.2
67.05506	3.4
69.03436	30.1
69.07071	4.3
71.50977	2.5
73.02921	54.1
81.03445	3.6
81.07044	2.4
83.08624	3.0
85.02911	61.1
87.04483	2.8
91.05500	5.8
93.07043	9.9
95.08605	4.4
97.02309	2.6
97.02900	48.3
105.07023	6.6
107.08581	2.5
109.02856	4.3
109.10172	4.7
115.03294	2.9
115.03951	32.2
119.08558	4.2
119.98144	2.2
121.10168	2.8
123.04478	3.3
127.03909	16.6
133.04988	28.4
133.06494	2.9
133.10133	6.0
137.05986	3.4
145.04958	26.6
145.10110	3.2
163.06044	4.6
179.10696	3.2
180.08665	3.2
189.16396	4.6
217.15891	16.7
223.06006	2.9
235.16942	100.0
241.07028	4.2
259.08038	5.6
288.77762	2.4
309.31931	3.2
349.20117	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	545.384
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02390	1.3
53.03952	6.2
55.01874	2.7
55.05511	20.6
55.17486	0.9
57.03431	2.6
57.07076	2.6
65.03938	2.6
67.05506	58.6
69.03432	1.6
69.06728	1.7
69.07072	20.6
69.82000	5.2
71.04993	3.6
71.66348	1.2
77.03960	0.8
79.05494	50.5
81.03439	1.1
81.07056	100.0
83.04997	6.1
83.08618	10.5
85.02901	1.3
85.06559	4.6
91.04901	1.8
91.05480	39.2
93.07047	47.7
95.04961	4.7
95.08607	40.8
97.06521	6.4
97.10159	2.6
98.20838	1.3
99.08094	3.2
103.05487	1.3
105.04559	1.9
105.07031	40.6
107.08595	29.5
109.06526	3.8
109.10154	12.1
111.08098	2.0
113.06004	1.1
115.05533	1.1
117.07044	4.5
119.08586	32.4
121.10146	32.1
123.08102	4.0
123.11710	25.7
127.07548	1.8
129.07059	1.6
131.08572	10.1
133.10138	10.5
135.11699	13.9
137.09666	1.1
137.13293	2.6
141.09067	1.2
143.08640	1.9
145.10138	8.8
147.11688	61.3
149.13274	6.7
157.10179	1.4
159.11652	6.6
161.13264	4.1
163.14885	3.2
165.12764	26.6
173.13300	4.9
175.14868	2.0
183.13805	3.3
187.14807	2.0
189.16379	1.2
193.12321	1.2
195.96179	0.9
199.15041	0.9
201.16364	1.3
204.75084	1.0
229.14380	4.5
243.21107	4.7
259.20609	1.3
261.22147	18.7
267.13019	2.5
267.15912	49.5
285.17090	2.7
317.24725	6.0
319.01111	1.0
335.25974	1.2
343.79611	1.1
435.32709	1.8
453.33856	2.6
471.34561	2.3
524.01190	1.3
527.37445	7.3
545.38409	57.1
546.38861	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3842
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	9.4
53.17424	1.9
55.01869	4.9
55.05276	2.4
55.05518	33.9
57.03443	11.4
57.07066	1.7
58.29144	1.5
59.05010	1.6
61.35835	1.7
65.03930	6.1
67.05511	72.0
67.29507	1.7
69.03435	6.1
69.07070	20.0
71.04983	8.1
77.03938	2.3
79.05500	69.0
81.03426	56.0
81.07063	76.8
82.53677	1.6
83.04984	14.0
83.08634	30.0
85.02908	24.0
85.06551	5.4
91.05486	62.4
93.07050	72.4
94.03667	1.9
95.04978	28.8
95.08613	39.6
97.02876	1.9
97.06523	6.6
97.10145	11.0
99.08098	2.5
103.05486	2.2
105.04586	2.5
105.07038	45.4
107.04945	5.9
107.08597	34.6
109.06527	4.9
109.10165	19.8
111.04443	2.3
111.08093	11.8
113.05935	2.1
115.05482	1.7
117.07030	11.9
119.08589	34.9
121.06517	3.1
121.10142	27.3
123.08069	3.9
123.11728	6.6
125.09633	10.6
128.06200	1.6
129.07039	12.0
131.08582	31.0
133.10139	21.6
135.11697	18.1
137.09627	2.2
142.07803	2.4
143.08568	6.7
145.10146	14.3
147.08058	2.5
147.11688	22.2
149.09636	6.2
149.13283	5.9
157.10150	16.4
159.11664	11.5
161.13269	6.3
163.14761	2.0
165.12846	3.4
169.10117	1.9
171.11751	5.7
173.11960	2.0
173.13327	6.9
175.11163	13.3
175.14842	2.9
183.11732	4.4
185.13242	2.5
187.14925	3.2
189.11137	2.7
193.12253	48.6
195.11932	2.2
195.13715	1.7
211.13300	50.3
211.15292	2.5
227.12672	4.6
227.18198	1.8
261.22238	6.3
267.15964	3.4
285.22290	2.9
299.23822	2.8
301.25397	6.8
303.23541	1.6
335.25925	5.5
370.68881	2.1
407.54770	2.0
435.32462	5.6
442.40634	2.0
453.33734	6.9
471.34851	3.0
527.37439	22.7
545.38416	100.0
546.38672	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	545.3841
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.4
54.45099	1.6
55.01869	7.7
55.05515	34.8
55.08271	1.5
56.19333	1.5
57.03444	7.9
57.07093	2.8
58.74261	1.6
65.03939	5.0
66.14828	1.6
67.05508	71.8
69.03436	4.2
69.07066	18.7
71.04990	5.8
76.77882	1.6
79.05494	45.5
79.05967	2.2
81.03424	23.9
81.06586	3.7
81.07059	59.5
83.04982	5.7
83.08623	20.9
85.06554	4.0
85.74914	1.7
91.05484	36.4
91.06017	2.4
92.08162	1.7
93.07045	39.1
95.04970	20.7
95.08613	39.0
95.09103	1.0
96.82814	1.6
97.06545	6.7
97.10178	19.5
98.21555	2.8
105.07034	33.0
106.56110	1.9
107.04945	6.5
107.08598	29.4
109.06529	5.8
109.10162	26.6
111.08102	7.0
117.07018	15.8
119.08588	25.9
121.06535	10.9
121.10144	22.6
123.08069	5.8
123.11713	9.2
125.09606	14.3
129.07022	11.3
131.08577	23.9
133.06508	3.3
133.10130	18.8
135.08090	6.5
135.11693	12.4
137.09651	5.9
137.13242	2.3
141.07004	2.7
143.08571	13.1
145.06563	2.5
145.10129	18.5
145.11174	2.4
147.08052	4.8
147.11699	15.4
149.09677	6.1
149.13269	6.8
153.09174	2.5
154.77815	1.7
155.08615	5.0
157.10161	9.3
159.08017	2.0
159.11708	15.2
161.09608	3.5
161.13275	8.9
163.11177	3.8
163.14882	3.9
169.10100	4.2
171.10301	3.1
171.11726	7.7
173.09691	1.8
173.11873	2.3
173.13281	9.7
175.11238	3.9
175.14905	3.1
177.12727	3.0
181.10149	3.2
183.11761	2.1
184.61732	1.7
185.13310	7.2
187.11218	2.8
187.13251	2.2
187.14836	5.1
189.11211	11.5
193.12288	10.6
197.13367	4.0
199.14888	5.0
201.16406	2.2
211.13127	2.2
211.14920	2.4
213.12796	1.9
213.16736	2.4
215.14334	1.9
217.10117	1.6
227.12747	13.9
243.20938	2.3
247.17046	2.3
261.22183	13.2
267.15942	20.3
279.23318	3.8
283.24133	2.2
285.22177	5.2
287.20267	2.7
297.22290	2.2
299.23734	3.6
301.25262	21.7
303.23380	2.8
317.25015	2.9
329.24863	1.9
335.25787	17.3
341.24661	1.9
357.28033	2.1
359.25861	3.0
361.23831	2.1
417.31659	2.0
421.25836	2.9
435.27545	2.5
435.32465	8.9
453.33722	18.4
471.34622	15.1
482.49008	1.9
527.37341	57.6
545.38458	100.0
546.38336	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.384
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03138	1.5
51.60064	1.2
53.03947	8.4
55.01869	3.9
55.05269	2.3
55.05518	33.5
57.03445	10.9
57.07082	2.4
58.77639	1.3
59.05001	1.3
65.03941	6.0
67.05508	64.8
69.03429	4.7
69.07076	18.2
70.74717	3.0
71.05001	7.9
77.03907	1.6
79.05497	70.7
80.05769	1.2
81.03426	49.1
81.07062	67.6
83.04994	10.1
83.08620	21.8
85.02910	20.4
85.06539	2.3
91.04908	2.2
91.05487	54.3
93.07050	61.3
95.04977	25.3
95.08611	37.8
96.20446	1.4
96.79670	1.3
97.02888	2.3
97.06549	5.9
97.10162	10.2
103.05525	1.8
105.07039	39.2
105.45999	1.3
107.04979	3.7
107.08605	34.0
109.06530	7.1
109.10159	17.5
111.04421	2.1
111.08088	11.8
113.05999	1.6
115.05444	1.7
117.07009	9.6
119.04955	1.3
119.08597	31.5
121.06503	2.8
121.10139	31.6
123.08067	2.4
123.11708	5.2
125.09671	5.5
128.06223	2.4
129.07005	12.2
131.08586	23.2
133.06453	1.5
133.10123	19.4
135.08083	2.5
135.11694	12.4
137.09666	2.6
142.07837	2.8
143.08574	5.6
145.10135	10.8
147.08078	2.5
147.11678	18.2
149.09653	3.4
149.13260	6.4
155.08630	2.9
157.10143	14.1
159.11676	7.6
161.13290	6.1
165.12813	1.8
169.10226	1.9
171.11714	4.7
173.13264	6.2
175.11200	11.9
175.14864	2.6
183.11786	1.8
185.13321	1.8
187.14796	3.4
189.11275	3.1
193.12253	50.9
211.13298	53.3
227.12854	4.3
243.21188	3.6
261.22040	8.8
267.15982	9.0
280.42444	1.3
285.22107	3.1
301.25287	5.9
317.24750	1.5
335.25912	5.5
349.15836	1.5
404.10037	1.7
417.31442	2.2
435.32825	3.4
453.33890	5.7
471.34460	4.4
509.36145	2.6
519.75256	1.6
527.37323	20.1
545.38422	100.0
546.38904	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3845
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02389	2.1
53.03954	7.8
55.01879	5.9
55.05518	33.3
57.03446	13.0
57.07079	3.2
62.31722	1.1
65.03947	5.2
65.26111	1.3
66.92892	1.0
67.05514	83.0
69.03455	5.6
69.07082	19.7
69.33415	1.1
71.04994	7.4
77.03934	2.0
79.05504	83.5
81.02939	1.9
81.03429	54.9
81.07066	80.9
82.07417	1.5
82.39354	1.4
83.04989	14.1
83.08628	31.4
85.02910	24.8
85.06553	3.8
91.05494	69.2
93.07056	75.2
95.04979	31.5
95.08620	50.0
97.02909	1.9
97.06554	9.1
97.10184	12.7
99.08064	1.7
103.05508	2.3
105.04528	3.4
105.07043	48.7
107.04967	7.3
107.08610	41.0
109.06528	8.3
109.10169	22.4
111.04454	2.5
111.08106	12.0
113.06017	3.2
115.05505	1.4
117.07024	12.9
119.08595	40.6
121.06525	4.4
121.10162	33.8
123.08105	3.9
123.11671	6.2
125.09657	8.0
128.06241	2.4
129.07022	15.2
131.08589	26.8
133.06517	3.6
133.10159	21.3
135.08073	2.2
135.11708	12.8
136.93120	1.6
137.09644	4.0
142.07912	1.4
143.08600	5.1
145.06502	2.1
145.10135	16.9
147.08098	3.5
147.11708	22.0
149.09654	7.6
149.13242	6.0
153.12752	1.4
155.08549	2.8
157.10156	16.5
159.11703	9.1
161.09686	1.9
161.13258	5.7
163.11192	1.7
165.12817	3.5
169.10164	2.3
171.11714	3.1
172.95186	1.5
173.09691	2.2
173.13272	8.5
175.11226	14.4
175.14848	3.5
177.12772	1.5
183.11729	2.3
185.13284	3.4
187.14902	3.1
189.11317	3.5
189.16412	2.1
192.95844	1.4
193.12260	53.0
199.14865	2.1
201.16432	2.9
211.13309	49.5
222.39838	1.2
227.12749	3.9
228.97768	1.8
229.30424	1.4
243.21162	2.1
249.15031	1.3
259.20645	1.5
261.22226	11.3
267.15961	10.8
279.23108	1.5
285.22131	2.2
301.25336	5.4
317.17984	1.6
317.24686	1.6
335.25864	7.0
359.25830	1.7
417.31638	1.7
421.25659	1.4
435.32590	3.5
453.33853	6.1
471.18607	2.6
471.34827	4.9
509.36353	1.7
527.37347	20.7
545.38440	100.0
546.38947	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2093
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64983	0.6
53.03939	1.2
53.24937	0.6
55.01866	1.1
57.03435	2.5
61.02923	2.7
66.46976	0.6
69.03439	10.4
70.06588	1.1
71.01351	1.0
71.04986	2.5
72.08163	4.7
73.02912	1.4
74.11815	0.6
81.03419	4.1
84.08156	0.7
84.43193	0.6
85.02440	1.0
85.02917	12.8
87.04482	0.9
89.36568	0.7
90.43323	0.6
97.02902	6.2
98.21520	2.1
99.04470	2.7
102.21791	0.6
103.05447	0.9
109.02899	1.5
110.02393	1.4
117.05457	0.9
120.50774	0.6
121.13995	0.6
127.03919	2.3
131.04910	1.1
133.07648	4.4
135.09142	1.2
137.06027	0.7
145.04950	1.3
147.09193	1.2
151.12187	0.7
152.07065	0.7
161.07123	6.9
162.07858	0.8
163.07344	0.9
163.08693	15.5
169.09726	0.7
175.08743	4.3
176.05884	0.8
187.08772	0.6
189.06558	1.3
189.10303	0.6
191.08263	1.0
201.10295	2.5
205.09755	0.8
207.07683	70.9
213.10358	0.8
215.08180	0.9
215.11801	0.9
229.09798	1.1
231.11368	0.9
232.07204	7.5
241.09824	0.8
243.11070	1.0
249.08607	1.0
261.08673	1.0
279.13416	10.2
287.10242	0.7
305.11407	3.9
323.12405	43.6
366.12997	100.0
367.13364	1.2
426.77731	0.7
528.18292	44.4
529.19116	0.7
545.24390	1.4
545.26080	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3841
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	6.8
55.01868	4.5
55.05270	2.5
55.05515	32.5
57.03444	9.8
57.07056	4.0
62.66043	2.2
65.03940	3.5
67.05507	69.9
68.28030	1.8
69.03432	5.1
69.07061	17.7
69.72372	1.9
70.01742	7.5
71.04989	6.0
78.94472	1.7
79.05497	53.0
79.14287	1.8
81.03423	35.6
81.06587	3.9
81.07061	65.0
83.04986	9.1
83.08630	22.9
84.67010	1.8
85.02907	10.0
85.06549	3.1
91.04915	1.9
91.05492	46.6
93.07050	51.7
95.04961	20.2
95.08611	38.9
97.06528	7.4
97.10184	16.8
98.20859	2.3
105.04505	2.2
105.07032	33.7
107.04939	5.5
107.08595	27.4
109.06515	5.8
109.10147	18.9
111.08088	7.6
117.07026	15.7
119.08591	30.0
121.06527	4.6
121.10149	24.6
123.08083	5.9
123.11708	7.5
125.09641	10.9
129.07014	9.4
131.08583	26.5
132.09438	2.3
133.06532	3.0
133.10117	17.3
135.08047	2.9
135.11700	14.2
137.09644	3.2
142.07805	2.2
143.08585	7.7
144.09277	2.1
145.10130	18.2
145.29770	1.9
147.08061	4.3
147.11687	13.9
149.09648	6.7
149.13274	7.3
155.08611	3.3
157.10095	10.6
159.11722	12.2
161.13254	6.6
163.11227	3.0
163.14752	1.9
168.15758	2.0
169.10147	3.2
171.11717	5.7
173.13287	8.6
175.11218	5.6
175.14909	3.8
181.10123	2.7
185.13387	3.3
187.14839	5.0
189.11238	4.1
193.12265	31.2
199.14845	2.4
201.16492	2.3
211.13277	26.5
212.24344	2.0
213.16476	2.2
227.12776	8.8
240.50235	2.0
243.21225	3.0
247.16963	2.4
261.18356	2.4
261.22116	9.2
267.15915	17.9
269.18982	2.2
281.21280	2.5
283.24109	2.3
285.22382	2.5
301.25177	13.3
303.23407	2.4
317.24832	3.0
335.25784	10.9
375.01361	2.4
435.32755	7.5
453.33737	9.5
471.34885	6.0
509.36292	2.0
527.30078	3.1
527.37421	43.3
545.38409	100.0
546.39282	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.3127
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99853	3.3
53.03937	12.1
53.95086	3.2
54.07921	2.9
55.01865	12.7
55.05504	11.3
57.03427	7.2
57.07060	6.2
59.46447	3.1
60.65753	3.3
61.02928	6.5
67.05499	15.7
67.77705	3.2
68.99799	3.7
69.03140	3.9
69.03443	40.7
69.07070	15.1
70.04089	6.1
70.05832	13.4
71.05008	8.3
73.02915	8.7
79.05497	15.5
81.03425	34.8
81.07063	25.6
83.04989	3.4
83.08619	10.8
85.02917	100.0
85.06550	16.0
87.00840	32.7
91.05476	15.6
93.07056	36.3
95.04987	16.5
95.08617	48.1
95.65271	3.2
97.02925	38.7
98.20824	5.1
99.04461	15.8
105.01894	28.1
105.07053	26.2
105.21768	4.1
107.08617	44.4
109.02900	36.9
109.06503	3.9
109.10158	32.5
111.08123	3.9
113.09647	9.7
115.03925	4.9
117.01868	9.8
117.07017	8.2
119.08603	42.1
121.06503	9.7
121.10156	52.5
123.11718	16.5
127.03938	73.6
129.01884	5.8
131.08563	12.5
133.10152	65.1
135.11722	28.7
137.09624	10.9
139.11208	7.1
143.08577	3.9
145.04976	26.6
145.10155	28.1
147.02850	6.0
147.11670	22.2
149.09596	3.4
149.13274	6.2
150.93790	3.8
151.11156	4.6
155.10696	5.7
157.10115	10.8
159.02921	28.1
159.11690	23.4
161.09650	4.7
161.13260	15.8
163.11185	9.6
163.14822	6.5
171.11748	4.9
173.13309	32.1
175.14862	23.2
177.16312	4.3
187.14848	30.9
189.03960	4.6
189.16312	4.6
201.16426	14.9
203.10725	4.2
203.18019	23.6
205.15854	8.2
213.04077	6.7
219.17419	7.0
226.81815	4.0
231.05016	14.9
243.21132	48.4
245.22536	4.7
247.13307	3.9
261.22180	53.6
263.54385	3.8
273.22198	5.4
285.22064	4.5
303.22867	4.3
473.25613	9.5
480.90036	3.8
491.26456	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	544.3334
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	1.7
55.01848	1.5
55.05470	2.3
56.04990	3.3
57.03400	2.4
60.04535	80.2
60.04965	2.4
61.02895	1.4
66.39689	0.7
67.05514	11.6
68.05003	0.9
69.03438	6.1
69.07024	2.8
70.06560	2.3
70.48267	0.8
71.04945	3.3
72.04469	2.0
72.08131	0.9
73.02878	0.8
74.06033	2.5
79.05501	9.5
80.04977	1.8
81.03429	3.7
81.07069	13.4
82.06532	2.1
83.04939	2.1
83.08569	1.2
84.04468	1.0
84.08092	0.8
85.02921	15.4
85.04736	0.6
85.06498	3.3
85.12847	0.7
86.06068	3.5
86.06474	0.7
87.04463	1.0
90.05513	0.9
91.05484	7.9
93.07049	8.2
94.06521	3.1
95.04985	3.9
95.08623	7.1
96.08085	1.7
97.02914	4.3
97.06493	2.2
99.04401	0.9
99.08115	0.8
102.05511	2.2
104.07051	2.1
105.07043	5.8
107.04897	1.4
107.08620	5.0
108.08131	1.4
109.02854	1.6
109.06458	2.0
109.10174	4.0
110.07121	1.4
111.04404	1.0
111.08042	0.9
112.07603	1.7
113.02367	0.8
116.07069	1.2
117.06976	2.2
119.08604	5.1
121.06490	0.8
121.10089	3.1
123.08068	1.4
123.11698	1.3
124.07522	0.9
126.09126	0.9
127.03876	2.7
129.06960	0.8
131.08504	3.1
133.10149	4.7
135.07996	0.7
135.11613	2.6
137.05945	2.0
137.09572	1.0
143.08531	0.9
145.04903	1.3
145.10085	3.2
147.08035	0.9
147.11627	2.1
149.05940	0.8
159.11604	1.7
161.13182	1.4
167.06966	1.0
173.13231	1.5
175.14835	0.9
187.14851	0.9
188.09177	1.5
189.16458	0.7
201.16489	0.8
206.10091	1.0
214.12077	0.7
224.11327	4.0
232.03238	0.7
251.19855	0.7
274.21609	1.9
278.53705	0.8
284.22107	1.0
292.22705	4.2
310.23715	3.9
328.24762	4.7
329.09857	0.8
334.46948	0.7
346.25931	9.3
364.26874	11.8
382.28036	100.0
383.28342	2.3
424.28986	1.7
456.63849	0.9
490.30353	1.6
505.64584	0.8
508.31140	2.1
526.32324	2.7
530.93683	0.9
544.33368	69.1
545.33820	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3686
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	5.1
55.01870	2.7
55.05518	11.9
57.03443	1.6
57.07080	2.1
63.39094	0.8
65.03941	2.6
66.74256	0.8
67.05511	31.7
69.03424	2.2
69.07076	11.1
69.46677	0.8
70.08830	3.8
71.04984	3.1
75.74052	0.7
77.03938	1.1
79.05500	44.8
81.03426	2.2
81.07063	30.8
83.04982	4.1
83.08623	8.0
85.06553	1.3
88.07642	1.0
91.05489	21.4
93.07052	55.0
95.04986	6.8
95.08616	40.5
97.02898	4.0
97.06532	3.1
97.10182	1.9
98.21206	1.5
99.04475	3.4
103.05481	1.2
105.04563	2.2
105.07043	14.8
107.04960	6.7
107.08606	32.7
109.06522	2.5
109.10163	6.3
111.08075	1.4
115.05453	1.6
117.07030	11.8
119.08589	13.4
121.06511	5.5
121.10150	19.9
123.08072	1.4
123.11729	1.4
125.06004	3.1
129.06979	1.4
130.07788	2.7
131.08607	5.4
133.10164	5.5
135.08083	1.2
135.11707	42.1
137.13307	1.0
139.07562	1.2
143.08536	1.2
145.10126	26.1
147.11725	1.5
149.13295	3.2
153.12843	1.0
159.11734	3.9
161.13269	2.4
163.11194	51.1
163.14882	1.6
166.35985	0.9
173.13289	2.1
181.12245	12.1
182.58405	0.8
209.11810	1.4
227.12801	100.0
228.13268	1.1
243.21045	1.1
261.22137	8.7
317.24847	3.1
402.33502	1.0
450.44354	0.9
525.35748	1.3
542.54303	1.7
543.36853	51.8
543.54327	1.8
544.36530	0.9
552.47003	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.182
Annotation	Unknow
Peak:m/z	Relative Intensity
54.73668	1.0
55.01875	5.6
55.05509	1.8
56.96564	24.3
57.03444	11.1
59.05022	5.6
60.95856	1.1
61.02920	6.1
69.03434	29.7
69.40687	1.1
70.03743	1.1
70.06593	4.8
71.01363	20.3
71.05000	6.9
71.51758	1.4
72.08172	6.1
73.02919	10.0
79.05522	1.2
80.48695	1.1
81.03445	5.9
83.01363	1.6
83.04977	2.1
84.96042	16.0
85.02911	48.5
85.06551	7.0
86.03224	1.3
86.06074	4.1
87.00847	2.0
87.04468	11.7
89.10794	2.0
91.03938	1.4
91.05474	2.4
93.07003	1.3
95.01327	2.6
95.05018	1.3
97.02894	36.4
98.97591	100.0
99.04456	7.6
99.97942	7.2
101.00898	2.3
101.02388	3.6
102.97004	1.7
103.03905	2.8
109.02879	2.7
110.97574	24.3
111.04441	2.3
111.97953	1.4
112.99146	4.3
113.02384	9.4
115.03931	5.9
116.98633	32.9
117.98955	2.9
119.01892	6.9
119.04946	2.9
121.06504	1.2
121.60887	1.2
123.04471	2.2
124.01044	1.2
124.99149	2.3
125.02348	1.9
126.97059	1.7
127.00671	1.7
127.03926	12.0
128.07126	1.7
128.98615	20.4
129.01830	9.8
129.05450	1.9
131.00157	3.9
131.01930	5.5
131.03436	2.4
133.01741	1.9
134.99634	6.8
137.06001	6.4
138.97066	1.5
139.03954	2.3
140.02362	1.4
140.98604	3.4
141.01863	4.4
143.00171	5.6
143.01923	8.6
143.03407	2.2
144.02014	2.2
144.98108	4.5
145.01736	3.4
145.03654	2.0
145.04965	15.9
146.02200	1.7
146.99655	8.2
147.03235	3.3
147.04417	5.1
150.97031	1.4
152.98631	2.5
153.98994	1.6
155.01924	3.1
155.03397	1.9
156.98111	8.0
158.98343	2.0
158.99661	36.3
159.01166	2.3
159.01537	2.2
159.02953	3.1
160.00003	7.0
161.01222	4.6
161.02957	9.9
161.04300	1.2
161.04613	1.0
162.03162	3.2
162.99026	1.4
163.02744	2.6
167.07022	1.3
168.03746	1.4
168.98125	4.6
170.99686	8.6
171.01346	3.1
171.03229	3.8
172.03574	1.4
173.01222	3.3
173.02898	2.4
173.06552	1.9
174.99174	11.0
175.02640	3.0
177.00729	23.5
177.04176	1.8
178.01077	5.5
179.02289	3.0
179.06998	1.3
182.03421	2.3
182.99608	1.8
183.04161	1.5
184.97659	3.8
185.01234	2.3
185.02954	2.7
186.04524	1.9
186.99171	6.0
187.00801	1.9
189.00705	6.0
189.02534	1.5
189.04280	9.3
190.01173	1.5
190.04878	3.9
191.02315	2.2
191.03954	4.0
192.04710	3.9
193.00224	3.0
196.97478	1.8
197.02975	1.6
198.99129	2.4
200.04440	1.6
201.00758	4.5
202.98706	6.4
203.02277	2.7
203.03967	1.8
203.05721	1.8
205.00175	1.8
205.03815	2.5
207.05385	1.6
213.00677	2.0
214.03940	1.6
214.98732	6.4
217.00186	1.5
219.01764	20.9
219.03653	1.4
220.02100	3.9
221.03268	2.9
221.05174	1.7
232.05664	1.5
232.99611	2.5
233.06775	9.3
235.01169	2.0
237.02771	21.2
238.03015	4.2
239.04367	1.9
242.07376	3.2
244.04668	1.7
245.03166	5.0
245.05301	2.0
247.01060	1.8
253.05586	1.9
254.03574	2.7
255.04083	2.8
256.99783	2.3
261.02753	4.6
263.01404	1.6
263.04340	4.7
263.54456	1.4
270.05014	4.5
275.09818	1.8
277.05966	1.8
279.03830	7.0
281.06927	1.4
286.06494	2.1
287.00687	1.3
287.03906	1.6
291.07556	13.9
292.07855	10.3
293.10791	3.7
294.11035	3.8
298.08124	4.7
303.07349	4.4
309.05139	2.6
309.08585	33.7
310.08871	30.5
311.08340	2.6
312.07730	3.4
314.09381	2.4
317.03894	1.5
318.04269	1.4
319.03342	1.3
321.04971	1.8
324.04254	3.4
325.05237	2.0
326.03772	6.0
328.09116	3.4
333.04739	4.4
333.10858	1.7
333.54892	1.4
334.05853	2.1
335.09558	2.2
336.12122	3.8
339.09708	1.9
342.05289	6.3
344.04843	2.4
345.01401	2.6
346.01688	1.8
347.06204	6.6
349.06021	2.7
350.06931	1.7
351.05695	2.2
351.09525	1.8
352.10022	2.0
358.06772	2.2
360.06265	2.4
367.07346	1.6
367.57376	1.5
377.09073	4.3
380.11081	3.4
393.10416	4.7
415.09161	1.7
418.11975	1.3
458.15860	2.2
459.07745	1.4
465.13220	2.4
473.08304	1.4
486.03302	1.7
544.20026	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	543.3687
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	1.5
53.03942	4.1
55.01874	3.5
55.05519	13.8
57.03433	2.0
57.07069	2.1
58.94425	0.7
63.70993	0.7
65.03944	2.3
67.05511	35.6
67.58861	0.8
69.03443	1.3
69.07074	7.6
70.75095	1.9
71.05019	3.6
77.03936	1.0
77.44413	0.7
79.05502	46.8
81.03439	2.4
81.07067	34.7
83.04995	3.9
83.08620	9.4
83.35804	0.8
85.06559	1.2
91.05492	23.1
93.07053	57.3
95.04997	7.1
95.08614	45.7
97.02901	3.2
97.06547	3.6
97.10172	1.9
97.57879	0.7
98.21226	1.0
99.04450	3.7
103.05458	1.3
105.04575	1.4
105.07043	15.2
105.07693	1.2
107.04966	6.7
107.07874	1.8
107.08607	35.3
109.06548	2.6
109.10184	7.6
111.08107	1.4
114.21124	0.8
115.05487	0.8
117.07034	12.2
119.08591	12.8
121.06516	5.1
121.10157	18.7
123.08031	1.0
123.11725	1.7
125.06020	1.9
129.07027	1.4
130.07785	2.2
131.08586	6.8
133.10143	5.2
135.08113	2.6
135.11708	40.4
139.07570	1.5
139.11203	0.8
143.08607	1.3
145.10139	27.5
147.11739	2.9
149.13330	2.2
159.11737	3.3
161.13281	1.2
163.11195	51.7
173.13286	2.3
177.07408	0.7
181.12254	13.9
186.16837	0.7
186.81593	0.7
187.14865	1.2
190.79764	0.8
201.16385	0.9
209.11749	1.6
227.12807	100.0
231.48618	0.8
243.21185	1.3
261.22137	6.3
283.15607	1.7
301.17337	0.8
317.25159	1.7
449.03549	0.8
525.36151	0.9
543.36902	46.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.1952
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03963	0.9
55.01880	1.4
56.96574	27.9
56.96854	1.8
57.03442	5.6
57.77420	0.8
59.05006	1.6
59.16896	0.7
60.95878	0.8
61.02942	2.0
66.89307	0.8
67.05524	0.8
69.03440	13.5
70.06607	1.8
71.01366	8.0
71.05003	2.6
71.50506	0.8
71.95290	1.5
72.08163	5.4
73.02925	4.1
76.57628	0.7
81.03436	3.3
81.07047	0.8
84.08212	1.1
84.96055	11.2
85.02917	22.3
85.06566	1.0
86.03289	1.2
86.09721	3.1
87.04485	5.0
89.10805	1.5
91.03982	1.4
95.01366	1.0
97.02905	16.1
98.97601	100.0
99.04493	2.6
101.00909	2.3
107.04971	1.5
109.02912	2.7
110.97591	20.4
111.04500	1.7
112.99158	4.7
113.00892	0.8
113.02409	4.1
115.00695	1.1
115.04000	2.5
116.98646	32.4
116.99454	1.9
119.01930	2.4
119.04990	1.5
121.06579	1.1
122.01434	0.8
123.04495	1.2
124.99147	1.3
125.02332	1.0
126.97086	1.2
127.00741	2.5
127.02512	1.1
127.03952	6.6
128.98630	18.9
129.01949	3.5
131.00174	5.0
131.01872	2.0
131.05598	1.0
133.01682	0.7
134.99695	7.5
137.06038	3.3
138.05574	1.0
138.97130	1.3
139.03929	1.3
140.00227	0.9
140.02367	1.8
140.98666	2.5
141.01990	1.0
143.00194	6.0
143.01854	4.4
144.98152	4.5
145.01730	4.9
145.03621	0.8
145.03984	0.9
145.04999	5.6
146.02333	1.2
146.99702	6.1
147.03352	7.9
147.04495	3.2
149.01265	1.7
149.05972	0.9
150.97063	1.1
152.98654	4.4
155.01935	2.0
156.98218	2.7
157.01727	1.3
158.99681	38.1
159.03127	1.9
161.01344	3.7
161.03033	3.5
162.99220	3.1
163.02815	2.4
163.04074	0.9
165.04317	4.2
167.07127	3.4
168.98187	2.9
169.04514	0.8
170.99709	8.4
171.03349	1.6
173.01306	2.2
173.02977	1.3
173.06696	1.9
174.99231	5.1
175.02840	3.1
177.00749	27.7
177.04291	2.4
177.05676	2.1
179.02269	2.2
182.99738	1.0
184.97639	1.9
185.06686	3.2
186.99277	2.1
187.02811	1.3
187.06461	1.0
189.00807	5.0
189.02620	1.3
189.04327	8.8
189.12506	1.3
190.06853	0.9
191.02414	1.2
191.05891	1.3
192.04807	1.7
193.00247	1.8
193.03963	1.4
194.07045	1.0
195.01801	1.2
200.02556	1.0
201.00772	6.7
201.04427	1.8
202.98656	2.0
203.02367	1.6
203.05864	1.4
203.07678	1.8
205.00320	1.1
205.03926	1.5
206.15463	1.1
207.05548	3.1
214.98726	1.6
215.02347	1.1
215.06001	1.5
217.00375	1.8
217.04021	1.8
219.01819	29.2
219.05380	1.8
220.02341	1.2
221.03325	1.0
221.05222	2.1
223.05159	1.5
225.64156	0.8
227.02312	0.9
231.05382	4.0
232.99680	1.0
233.06822	5.0
235.05046	1.0
237.02856	34.6
242.03471	0.9
243.05597	2.1
245.03192	1.7
249.06499	1.3
254.03712	1.0
260.20282	0.9
261.02530	1.1
270.05267	1.2
273.02890	0.8
275.09912	2.4
277.04114	1.6
279.04019	1.4
287.05777	1.6
291.07516	37.6
293.10922	4.7
295.07724	1.0
303.07428	0.9
309.08609	88.2
310.09174	1.0
321.08563	1.7
323.10428	1.2
332.10498	2.9
333.04913	2.2
335.06567	2.0
335.12018	3.4
342.05466	2.1
345.01266	4.1
347.06152	1.5
349.06015	1.4
351.09753	3.9
372.12036	1.0
379.10779	1.7
391.09500	1.6
393.11246	1.9
439.14978	2.0
445.10757	1.0
453.13297	1.8
457.16162	1.6
512.64948	0.8
543.07520	1.8
543.19891	30.7
543.28802	2.1
544.19379	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.7
56.96560	1.3
57.03431	1.0
57.78667	0.4
58.15968	0.5
59.05004	0.5
61.02920	0.5
63.82690	0.5
66.75639	0.5
69.03425	2.2
70.06579	0.7
71.01368	0.6
71.50219	0.9
72.08152	1.2
79.05496	1.1
81.03433	0.8
84.04524	0.5
84.08160	0.8
84.96034	0.9
85.02903	5.6
87.04440	0.6
89.10821	0.5
91.05482	1.9
93.07056	1.7
95.01300	0.5
97.02907	2.8
98.06058	0.5
98.97597	4.2
103.05473	8.7
107.04967	2.6
109.02881	0.5
110.97569	1.4
111.04482	0.4
116.98588	1.1
119.04951	1.1
120.08115	100.0
121.06486	0.6
121.08459	1.1
124.07627	0.7
127.03928	1.5
128.98647	1.0
131.00220	0.6
131.04901	3.1
131.21359	0.5
135.04372	0.6
136.06203	2.5
137.05984	1.6
140.07123	0.6
143.00136	0.7
145.04987	1.1
147.04417	2.7
149.05989	2.3
158.99655	0.6
166.08650	51.0
167.07066	1.4
170.99731	0.7
177.00807	1.1
177.57951	0.6
179.07062	3.1
201.00751	1.0
219.01878	1.2
237.02803	0.9
330.09778	0.7
361.02460	0.6
469.54922	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.3891
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01582	1.2
50.39286	0.9
51.02381	2.1
53.03948	10.0
55.01868	3.7
55.05514	27.2
57.03439	2.9
57.07079	16.3
58.07402	1.7
59.05014	1.1
65.03934	6.5
67.05509	85.3
69.03429	2.0
69.07068	24.8
70.06601	11.3
70.75670	2.5
71.04990	4.0
71.06908	1.2
71.08630	7.7
72.08933	1.3
73.02925	1.5
73.06566	2.0
77.03931	2.0
79.05496	100.0
81.03431	7.3
81.07060	67.1
82.07407	1.0
82.24458	0.9
83.04994	8.1
83.08626	10.5
85.06543	3.2
85.10191	4.2
88.07631	16.6
89.07957	1.1
91.05486	70.8
93.07049	84.4
95.04975	18.7
95.08613	50.0
96.08990	1.0
97.06522	5.7
97.10191	4.5
99.08107	1.4
102.09180	11.9
103.05472	2.2
103.09534	1.6
105.04542	4.5
105.07038	47.8
106.08645	1.0
107.01136	1.1
107.04983	7.0
107.06368	0.8
107.08604	31.3
108.09022	0.8
109.06512	4.4
109.10163	13.3
111.08131	2.1
113.09658	0.9
115.05473	2.6
115.98298	0.9
117.07021	14.4
119.06067	1.3
119.08590	30.7
121.06526	2.5
121.10152	19.4
121.11031	1.2
123.08063	5.7
123.11724	2.5
128.06230	3.9
129.07016	14.8
130.07837	1.4
131.08572	13.4
133.06526	1.0
133.10135	16.5
135.08034	1.4
135.11713	11.7
141.06973	1.7
142.07825	1.1
143.08563	11.6
145.10126	16.2
147.08075	4.0
147.11700	32.4
149.13277	2.9
155.08569	3.0
156.09399	1.0
157.10161	4.6
159.11687	6.3
161.09663	3.8
161.13257	14.0
163.14906	1.4
169.10168	3.6
170.10872	1.0
171.11707	28.0
171.13168	1.9
173.13284	4.1
175.11337	1.0
175.14827	1.7
179.14409	1.6
181.10155	1.6
183.11748	2.8
185.13345	1.6
187.14899	2.2
189.12738	10.5
189.16489	1.0
197.13287	2.1
199.14879	1.2
207.13820	24.8
209.13338	1.2
211.14919	1.4
223.14844	1.7
224.87239	0.9
225.14941	2.4
243.21207	2.4
256.26382	20.2
257.26700	10.7
259.20612	1.0
261.22144	4.8
274.27521	2.1
275.27832	1.1
277.19839	1.1
281.17581	2.3
283.26404	6.4
284.26688	3.6
284.29620	6.4
285.29770	4.1
302.59268	1.0
311.29440	19.8
312.29816	14.0
317.25101	1.2
431.32797	1.3
449.34366	3.6
467.35464	1.4
523.38123	2.8
540.53613	21.7
541.39014	85.6
541.53754	72.5
542.39240	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.3588
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	6.3
55.05513	14.0
59.14043	5.2
67.05515	29.2
69.03444	9.7
69.07072	23.3
69.36358	11.5
69.36765	31.1
71.05015	12.4
79.05508	15.3
81.07064	100.0
83.04954	5.6
83.08618	6.0
84.08178	5.8
85.02913	10.9
85.06544	26.0
91.05475	10.0
93.07044	43.3
94.44264	4.9
95.04980	5.7
95.08610	75.1
97.02898	5.1
97.06538	10.1
99.08117	11.2
105.07052	24.6
107.08617	38.1
109.06548	10.6
109.10164	37.2
111.08092	29.6
119.08578	20.6
121.10143	26.8
123.08044	7.0
123.11732	33.8
125.09636	12.6
127.07585	7.3
133.10176	11.9
135.11691	14.6
137.13268	11.3
139.11208	12.5
143.10683	6.1
147.11702	15.1
149.13289	18.7
151.11188	8.4
153.12764	12.5
159.11739	13.2
161.13342	5.4
163.14806	10.6
165.12837	7.5
173.13332	9.2
174.13927	5.3
175.14738	7.9
177.09169	5.2
189.16563	6.3
215.17931	13.0
221.19048	6.7
233.19011	15.3
239.20171	26.2
251.20085	56.6
269.21188	9.6
289.25360	20.0
307.26456	29.6
325.27350	12.4
383.59369	5.5
443.93735	5.6
509.12668	5.8
541.14709	6.7
541.22333	18.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.1633
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96637	2.8
57.03233	0.6
57.03490	1.5
61.02989	0.8
69.03513	3.2
69.22393	3.0
69.22823	4.0
73.02998	1.4
76.61750	0.7
81.03484	1.0
82.99969	0.8
85.01492	1.2
85.02916	5.1
94.08951	0.7
97.01504	0.9
97.03003	2.7
98.97605	8.2
101.00897	3.7
103.02510	1.7
110.97665	1.1
111.02264	0.7
112.99226	1.9
113.00996	3.0
115.02454	5.6
115.04029	0.9
116.98730	2.0
119.01945	5.1
127.02560	1.4
127.04013	1.7
128.98734	1.9
129.04109	3.1
131.00270	1.4
131.01920	4.2
133.03497	8.2
139.02509	1.1
141.04059	2.1
143.01912	5.0
145.03587	4.5
145.05066	1.6
147.05147	4.3
152.02367	0.9
153.04184	0.9
155.01884	7.4
157.01917	0.7
157.02338	1.2
157.03470	6.4
158.99785	2.6
159.03381	1.4
159.05046	6.1
161.01651	0.6
161.03024	3.9
163.04617	0.8
169.03647	2.5
170.99796	1.1
171.05080	7.3
173.01491	1.1
173.03110	5.8
173.06650	0.9
175.02977	1.0
175.04674	3.1
177.00859	1.2
177.04500	2.9
177.06238	8.3
178.05096	0.9
179.00676	0.8
179.01920	3.4
182.03560	0.7
183.05025	4.9
185.03067	2.8
185.06706	1.4
187.02930	0.8
187.04553	1.3
189.06190	2.5
191.04004	1.4
192.04669	11.8
192.55101	0.8
193.03473	1.1
195.05434	1.1
195.07254	2.9
197.03105	2.8
197.06682	1.3
199.04639	0.8
201.00819	1.4
201.06236	3.2
203.03986	3.3
205.05693	0.9
207.05113	1.7
211.04645	1.3
213.06224	1.8
219.01825	3.4
219.05109	1.0
219.07173	19.1
221.05067	5.9
223.06792	1.2
225.06294	3.0
231.07184	17.9
233.08749	4.4
237.02991	2.6
239.04492	2.0
245.05124	13.6
245.07643	0.9
245.08879	1.1
247.06834	1.2
255.07181	7.4
257.05316	0.8
259.06830	2.5
261.03818	0.7
261.08374	2.8
263.06378	1.0
265.07837	1.5
272.06494	1.0
272.56958	0.9
273.08340	6.7
279.03860	0.7
281.57516	1.5
282.07751	5.0
291.09357	2.0
305.07242	2.2
307.09033	0.8
321.10394	100.0
322.10699	2.9
337.08121	0.9
339.11081	2.5
357.04340	0.7
363.10919	1.7
377.12900	0.8
378.01761	0.8
381.12503	11.9
383.08603	1.2
411.13693	1.1
425.11493	12.5
437.14630	2.2
455.16156	3.2
497.17230	3.9
509.08896	2.8
541.11414	44.9
542.11829	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.1179
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03429	1.4
70.45834	0.7
71.50092	1.1
73.02907	0.8
73.31507	0.8
76.49564	0.7
81.79536	0.7
85.02909	2.2
97.02903	1.1
98.97584	2.8
101.00873	1.9
105.02487	0.8
110.97573	0.8
112.99166	0.9
117.07675	0.8
119.01933	1.6
143.01912	4.2
155.01917	1.3
157.03415	1.1
158.99670	1.0
161.02957	4.4
170.99707	1.0
173.03015	2.0
185.02963	1.9
192.04694	6.0
203.04071	1.8
223.06638	1.1
227.04163	0.9
245.05154	5.9
263.06152	2.4
273.07596	1.0
321.10214	0.9
330.63528	0.9
430.78833	0.8
509.08905	6.9
541.11707	100.0
542.11823	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	540.9873
Annotation	Unknow
Peak:m/z	Relative Intensity
54.48083	0.3
54.98651	0.4
56.96565	4.5
69.49203	1.8
69.49615	0.7
71.95259	1.3
98.97590	75.4
116.98630	37.5
125.68671	0.4
133.28313	0.4
134.99663	9.5
138.13483	0.4
140.00206	0.9
153.00719	0.8
172.94341	2.9
190.95392	3.4
196.52608	0.4
197.95181	0.6
207.05759	0.4
208.96544	0.5
214.95396	3.4
230.98724	0.5
231.08968	0.4
232.96480	6.7
232.98633	0.5
240.98819	0.8
250.97578	2.0
256.96442	18.3
258.99796	8.3
259.99991	0.5
261.03085	0.6
272.94540	0.5
273.00333	0.4
274.97525	100.0
275.97867	1.3
276.27109	0.4
276.97882	0.5
277.00867	7.9
278.01053	0.6
282.99969	1.1
288.70197	0.4
290.95609	0.6
292.98572	47.8
293.98904	0.4
297.99149	2.2
298.97839	1.9
301.01031	1.8
302.01331	0.4
303.00751	0.5
305.00583	0.4
314.95453	0.4
316.00320	0.6
316.98856	1.6
331.07486	0.6
332.96439	1.1
356.96930	0.7
374.97821	1.3
382.99866	1.3
398.97653	25.3
399.97739	0.7
401.00992	2.4
414.95374	0.5
416.98718	44.9
417.98767	1.4
432.96725	0.6
434.99808	6.5
440.00504	1.8
440.99014	0.5
452.87344	0.4
456.96506	1.2
540.98877	12.2
541.99255	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2448
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15267	0.6
69.03409	0.8
71.51974	0.8
75.43810	0.6
79.05479	0.7
85.02908	2.1
91.05487	3.4
93.07047	0.8
94.04177	0.6
100.50561	0.6
103.05470	6.9
105.07022	1.3
106.49285	0.6
107.04955	1.1
109.06518	0.6
115.05462	1.2
117.07017	2.6
119.04939	2.1
121.06522	1.4
122.03667	1.6
128.06204	0.8
129.07040	1.2
131.04941	15.3
133.06488	0.9
136.05183	0.6
137.05997	21.1
141.20114	0.5
145.06471	0.9
149.06003	1.0
149.09628	0.7
151.07556	13.1
151.36763	0.6
155.41669	0.7
157.06506	1.0
161.05975	2.1
162.06778	2.0
163.07561	38.0
167.08627	1.3
175.07549	3.1
177.09128	100.0
178.09518	0.6
189.09134	2.6
195.08121	1.7
195.10210	2.6
202.00613	0.6
203.10651	0.8
207.10014	0.7
220.08665	0.6
221.06091	0.9
221.09682	1.0
221.11714	15.2
222.06938	0.7
223.07648	0.6
225.09213	0.9
227.10669	3.5
235.07581	0.8
237.09105	0.9
253.08624	1.5
253.12242	1.7
255.10175	3.2
265.08609	0.9
267.10159	0.9
281.11902	0.8
285.11292	2.2
287.12805	6.6
293.11566	0.8
299.13016	0.7
311.12839	2.5
313.14352	6.5
331.11493	1.1
331.15421	16.7
343.15399	2.0
487.42609	0.7
530.59314	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.1187
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41693	1.1
52.64117	1.1
56.96574	10.1
57.03435	4.9
59.04996	2.0
61.02927	2.6
64.87466	1.0
69.03439	10.6
69.67151	1.8
69.67543	7.3
70.03760	1.4
70.92695	1.4
71.01362	5.1
71.05019	1.4
72.08167	1.5
73.02908	2.5
79.05524	1.1
81.03445	2.9
84.96043	5.0
85.02919	15.8
87.04475	3.4
91.05497	1.3
97.02905	13.8
97.95586	1.0
98.97605	25.9
99.04442	1.6
101.00874	2.4
104.31337	1.1
110.97601	9.0
112.99155	4.0
113.00891	1.2
113.02416	1.5
116.98641	5.4
119.01912	2.3
123.99380	1.3
124.99148	2.3
127.03951	3.8
128.98633	5.2
129.01872	2.8
131.00195	3.3
131.01961	1.7
131.03462	1.4
138.97104	2.0
140.98698	1.7
143.00188	3.6
144.98128	1.2
145.03418	2.2
145.05016	5.2
147.04414	1.4
149.05946	1.7
152.98627	1.4
155.02927	1.7
156.98131	2.8
157.01288	1.3
158.63181	1.3
158.99744	6.2
159.00952	1.0
161.01164	2.7
167.06989	1.2
168.98108	2.7
170.99695	4.7
171.05139	1.4
173.01266	2.7
174.99223	2.9
175.02710	1.9
175.04482	1.4
177.00812	2.3
177.04269	2.9
179.02371	1.8
180.00259	1.4
184.04982	2.8
184.55084	1.2
185.01213	1.6
186.99196	2.5
189.00781	2.8
191.02382	1.9
192.04730	5.1
197.03171	1.8
201.00804	1.4
203.02313	1.8
205.00377	1.3
205.03903	1.6
214.98724	1.3
219.01715	7.3
221.03378	4.8
232.99849	1.8
237.02876	5.4
239.04373	2.9
245.05132	1.9
263.03931	1.7
266.08002	1.2
274.01764	3.0
277.56857	1.2
305.10831	2.1
321.10074	1.8
327.00455	1.6
337.58179	1.6
349.04532	1.5
359.07184	1.4
360.06076	1.4
399.11542	1.3
418.04398	3.3
418.54474	1.4
481.11722	1.9
509.09192	9.0
514.08154	1.3
523.21368	2.2
541.11743	100.0
542.11871	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.3432
Annotation	Virenamide A
Peak:m/z	Relative Intensity
55.05508	34.6
57.03460	11.7
67.05499	41.3
69.03431	22.1
69.07064	41.7
70.76245	12.1
70.76577	18.2
73.53642	9.2
75.78829	9.0
79.05489	38.4
81.07062	100.0
83.08635	20.8
85.02909	21.7
85.06538	28.3
85.34939	9.8
91.05476	32.1
93.07077	46.5
95.04954	20.0
95.08611	91.0
97.06525	12.9
97.10191	60.6
99.04424	9.0
103.05447	10.2
105.07021	29.8
107.04956	14.3
107.08614	46.4
109.06531	11.8
109.10148	40.3
110.09620	13.9
111.08075	32.1
119.08579	24.6
121.06516	15.3
121.10148	36.5
123.11707	40.1
125.09641	24.6
131.04936	36.9
131.08597	13.7
133.10132	24.2
135.11723	17.6
137.05965	13.0
137.13268	21.2
138.09178	9.5
143.10678	26.6
145.10135	18.9
147.11723	17.1
149.09584	9.3
149.13257	34.3
159.11684	14.2
161.09631	8.7
161.13264	12.5
163.07481	11.2
163.14819	17.2
165.09143	11.3
165.12770	8.9
166.08664	21.4
172.03885	12.9
217.12363	12.6
237.18512	29.5
255.19473	11.9
305.24860	48.7
323.25763	55.3
354.11649	15.7
507.19534	48.2
539.12103	58.7
539.21490	54.4
539.28784	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	539.4313
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.8
55.05515	52.2
57.03442	12.3
57.07078	23.6
66.79431	3.1
67.05175	5.8
67.05508	69.1
69.06739	4.3
69.07078	59.8
70.06606	4.5
70.91217	7.3
70.91554	3.1
71.04990	8.1
71.08630	10.3
79.05488	29.6
81.06591	5.1
81.07066	100.0
82.07360	3.0
83.08624	55.0
85.06538	8.3
85.10191	4.8
88.07622	3.9
89.06049	5.8
91.05495	20.6
93.07058	51.4
95.04993	3.8
95.08619	70.0
97.06552	15.8
97.10190	20.4
99.08099	4.4
102.09182	4.1
105.07034	22.2
107.08611	43.7
109.10171	40.9
111.08109	7.8
111.11740	5.5
119.08617	20.3
121.10154	24.3
123.11732	18.2
131.08569	4.5
133.10161	15.4
135.11688	18.4
137.13242	5.6
143.08633	4.2
145.10149	6.7
147.11658	16.1
149.13264	37.5
156.09409	3.9
157.10120	5.6
159.11684	8.8
161.13280	8.8
163.14812	7.5
167.14331	16.1
171.11664	5.8
173.13228	7.2
175.14851	5.4
185.13388	3.6
185.15439	4.7
197.13222	4.5
211.14990	3.6
221.12946	2.9
223.14807	3.8
241.17992	13.4
245.22710	12.6
253.19514	4.1
256.26367	9.0
259.19083	84.4
263.23700	12.7
311.29492	8.9
337.27350	45.5
429.37399	5.6
489.41620	8.9
521.35748	4.7
521.42218	44.1
539.37372	6.1
539.45441	20.9
540.53638	25.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2896
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	12.4
55.01882	23.0
55.05517	19.6
57.03444	25.7
57.07086	75.8
61.02930	7.2
67.05515	32.9
69.03442	46.1
69.07092	19.3
69.40182	20.4
71.04997	7.0
71.08648	48.4
73.02928	56.0
75.04497	5.1
79.05525	3.9
81.03440	33.5
81.07076	44.7
83.04989	10.7
83.08632	27.7
85.02917	37.3
85.10201	37.5
89.06066	3.9
93.07034	4.8
93.73769	2.5
95.08624	57.5
97.02892	14.2
97.10189	16.9
99.04466	20.5
103.03970	4.3
105.11584	2.5
107.08645	4.0
109.02900	66.2
109.10179	33.5
110.03697	13.3
111.04459	62.1
111.11738	6.5
113.13219	2.7
115.70044	3.1
123.11740	18.2
123.30897	2.7
125.13304	4.3
127.03940	36.0
132.99591	31.6
133.08646	3.4
136.99077	2.9
137.13271	10.8
139.14897	2.9
151.00613	9.5
151.14879	3.5
172.99071	9.0
191.00113	38.5
192.71530	2.5
197.01180	3.3
209.01195	10.0
209.11833	16.7
221.22681	7.4
239.23761	100.0
257.24847	13.1
265.03732	6.9
283.15576	4.0
301.69675	3.5
313.27448	57.5
358.74893	2.7
507.81207	2.8
521.38257	3.9
539.21094	3.8
539.28973	64.2
539.37335	6.3
540.53113	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	539.3196
Annotation	Unknow
Peak:m/z	Relative Intensity
58.35448	0.3
67.05527	0.3
69.45300	0.3
69.93622	1.5
73.56554	0.3
80.33858	0.3
81.07080	0.4
86.09721	0.7
95.08638	0.4
97.10152	0.3
124.40855	0.3
124.57183	0.3
127.89044	0.3
130.32207	0.3
132.05844	0.3
157.10307	0.3
188.09863	0.3
203.05371	0.6
273.81030	0.4
375.47342	0.3
388.22815	0.3
539.31964	100.0
540.32141	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.3199
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05522	0.7
57.07084	0.9
59.04996	0.6
63.01791	0.5
67.05518	1.0
70.55392	0.5
71.08600	0.5
71.51628	0.5
79.05480	0.6
79.22027	0.5
81.07070	1.1
93.07056	0.6
94.65585	0.5
95.08608	1.1
111.04438	1.0
185.04276	0.6
209.11719	2.3
227.12898	0.6
263.86053	0.5
283.15472	0.8
307.95047	0.5
313.27081	0.6
321.22891	0.6
353.09128	0.5
445.24850	0.5
539.32001	100.0
540.32428	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	538.1929
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	0.7
51.35255	0.4
52.96375	0.4
53.03954	0.7
55.01873	1.1
55.05519	0.7
57.03437	0.5
58.86069	0.4
62.25631	0.4
67.05504	1.2
68.99802	0.7
69.03443	1.2
69.07062	0.5
70.30776	1.5
78.03466	10.3
79.04239	0.9
79.05509	1.6
80.05031	1.8
81.03417	0.7
81.07071	1.7
83.04979	0.8
83.76041	0.4
85.02915	1.3
85.06564	0.9
85.26311	0.4
86.09716	0.6
87.47674	0.4
91.05482	2.6
93.07060	2.1
95.04993	1.7
95.08609	1.4
95.24689	0.4
96.04507	2.2
97.02895	0.6
97.06562	0.8
99.04500	0.6
103.05487	1.3
105.07043	4.6
106.02929	30.5
107.04984	0.9
107.08612	1.9
109.06523	1.2
109.10169	1.1
110.09676	0.4
111.04442	0.7
115.05460	0.8
117.07030	2.0
119.04982	0.7
119.08604	3.3
120.08112	0.6
121.06529	1.9
121.10156	0.5
123.04428	0.7
123.08067	1.8
123.11711	0.7
124.03968	61.7
127.03949	0.6
128.06244	0.7
129.07031	2.4
131.04959	1.3
131.08586	1.3
133.06490	2.8
133.10176	0.9
135.08075	1.1
137.06024	2.4
138.05518	0.5
138.09164	0.6
141.07036	0.5
142.07828	1.6
143.08592	0.8
145.06487	4.4
145.10165	1.0
147.08086	4.3
149.06085	0.9
151.07542	2.2
154.57005	0.5
155.08612	0.7
157.06528	0.9
157.10170	1.3
159.08069	1.1
159.11732	0.6
161.05968	5.1
161.09653	1.0
163.07542	3.2
165.05600	0.6
165.07130	0.4
165.09064	0.8
166.08672	1.1
167.08554	0.5
171.08038	1.0
172.03944	0.8
173.05988	4.0
173.09647	1.0
173.13364	0.5
175.07562	4.5
177.05493	1.1
179.07027	3.3
180.06575	100.0
181.06789	0.7
183.08131	1.0
185.09694	2.3
187.07634	0.6
189.09135	1.4
191.07063	3.9
193.08620	1.8
199.07509	0.8
201.09145	3.3
203.07040	3.8
203.10730	1.3
211.07504	0.6
213.09120	2.7
217.08643	1.5
219.10179	0.5
221.08090	3.5
226.57907	0.5
229.08658	2.3
231.10191	1.8
237.18481	0.6
239.09256	2.1
241.08607	1.1
243.15033	0.5
244.15309	0.5
249.11089	0.6
255.19556	1.4
257.10260	5.0
259.09521	2.2
271.14468	0.7
272.14731	1.0
275.11261	1.4
277.10739	2.0
281.10004	0.8
293.09207	0.5
295.11804	1.7
311.01709	0.4
317.12262	1.0
319.41687	0.5
341.11176	0.5
382.12817	1.3
387.81366	0.5
400.13892	2.0
418.15045	3.8
436.15918	0.5
460.16150	4.1
478.17050	2.5
506.18890	1.1
538.19080	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.3599
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45495	0.2
55.05523	0.7
56.05044	2.3
57.03439	0.3
57.07077	0.3
57.47926	0.2
59.77444	0.2
67.05515	1.0
67.70287	0.2
69.03436	0.9
69.07079	1.0
70.75421	0.5
73.02927	0.3
78.59001	0.2
79.05492	0.3
81.03423	0.5
81.07056	0.8
82.06576	0.3
83.04984	0.3
83.08630	0.4
84.08154	100.0
85.02920	1.8
85.06562	0.4
86.09723	0.4
91.05500	0.4
93.07059	0.7
94.48891	0.2
94.53870	0.2
95.04985	0.5
95.08598	1.1
97.02904	0.6
97.06512	0.3
97.10188	0.4
99.04462	0.2
103.05488	0.4
105.07036	0.5
107.08585	0.4
109.02899	0.3
109.06502	0.3
109.10189	0.5
111.08045	0.3
112.07655	0.4
118.42235	0.2
119.08581	0.3
121.10159	0.8
123.08202	0.2
127.03912	0.2
128.07079	0.9
129.10277	2.0
130.08656	9.7
131.04971	0.6
132.05251	0.3
135.08055	0.3
135.11751	0.3
137.06013	0.7
139.46053	0.2
141.20412	0.2
143.81918	0.2
145.04852	0.2
145.10213	0.3
147.11301	3.2
151.07512	0.2
164.10692	0.3
167.07095	0.5
173.13269	0.2
176.10747	0.3
235.30533	0.2
245.06290	0.3
269.17596	0.3
292.26385	5.4
310.27469	1.7
355.29593	17.2
356.30286	0.3
373.30655	35.3
374.31107	0.5
400.45093	0.2
451.31357	0.3
481.32700	0.3
499.15332	0.3
535.35889	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.3975
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	1.7
57.07075	1.9
67.05509	1.7
67.14207	0.7
67.14809	0.7
69.07066	1.3
69.51418	0.6
70.08951	3.0
71.08620	1.3
79.05525	0.8
81.07053	2.7
85.10213	1.0
95.08618	2.6
97.10191	0.8
107.08636	0.8
147.82819	0.8
167.05684	1.0
192.82701	0.7
222.11151	0.8
223.13077	5.2
257.17224	0.9
279.15637	5.1
352.35663	0.7
535.39740	100.0
536.40222	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	536.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86382	0.2
56.96570	0.5
57.03440	0.4
61.02931	0.3
66.93254	0.3
69.03429	0.8
70.16512	0.7
70.16900	0.6
71.01361	0.6
73.02912	0.4
79.05497	0.8
79.99130	0.2
82.20562	0.3
84.96030	0.3
85.02910	1.7
87.04475	0.3
91.05491	0.9
93.07041	1.5
97.02912	0.6
98.20877	0.4
98.97607	1.1
103.05470	6.7
107.04974	1.8
110.97562	0.6
113.02390	0.3
116.98549	0.3
120.08110	100.0
121.08452	0.9
127.03920	0.5
131.04941	3.0
140.06960	0.4
140.98514	0.2
145.04951	0.7
149.05978	2.0
158.99722	0.5
166.08647	47.2
167.08952	0.4
195.09627	0.2
219.01688	0.3
237.02892	0.3
308.40115	0.3
348.09415	0.3
411.18362	0.3
532.58777	0.3
546.30695	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.3597
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.2
55.01886	0.2
55.05515	0.9
56.05038	2.6
57.03432	0.2
57.07082	0.5
64.24490	0.1
66.92215	0.1
67.05511	0.9
69.03441	0.7
69.07069	1.3
69.50481	0.7
69.50888	0.4
79.05476	0.3
81.03429	0.4
81.07076	0.9
82.06573	0.2
83.04976	0.2
83.08624	0.5
84.08148	100.0
85.02910	1.7
85.06532	0.4
85.08474	0.3
86.09729	0.3
91.05478	0.3
93.07048	0.7
95.04941	0.2
95.08598	0.7
97.02901	0.4
97.06539	0.2
97.10152	0.3
98.21491	0.3
99.04510	0.2
101.10786	0.2
102.09179	0.4
103.05471	0.2
103.97840	0.1
105.07063	0.5
107.08607	0.6
109.02891	0.3
109.06512	0.2
109.10161	0.5
110.06060	0.2
112.07622	0.5
120.08063	0.2
121.06519	0.2
121.10166	0.5
123.11678	0.2
127.03944	0.2
128.07115	0.5
129.10240	1.9
130.08646	9.4
131.04950	0.5
131.08537	0.2
133.10144	0.2
135.11714	0.3
137.06010	0.5
145.10187	0.2
147.11292	3.7
151.07541	0.2
159.29475	0.1
164.10713	0.3
167.07056	0.2
176.10739	0.6
177.05501	0.3
191.17998	0.2
310.27399	6.1
311.27954	0.2
355.29538	0.6
373.30624	48.8
374.30920	0.9
415.32086	0.2
419.32816	0.3
451.31696	0.5
459.50162	0.1
481.32938	0.2
535.19214	0.4
535.36407	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.4887
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	0.3
53.03946	1.0
55.05517	7.6
56.04790	0.4
56.05042	5.4
57.06824	0.3
57.07079	3.7
58.06592	0.8
60.04527	3.9
63.83038	0.3
65.03943	0.9
67.04240	0.6
67.05509	15.2
68.05032	1.9
69.07075	9.4
70.06605	2.4
71.04043	0.3
71.04376	0.4
71.08643	2.1
72.04492	0.3
77.03946	0.4
79.05500	12.3
80.05024	4.0
81.05801	1.7
81.07062	12.1
82.06586	9.0
83.04993	0.4
83.08150	0.5
83.08623	5.5
84.08167	0.5
85.10179	0.7
85.42017	0.2
86.06064	0.5
91.04916	0.6
91.05486	10.9
93.05785	0.8
93.07051	11.1
94.06573	21.3
95.04981	1.5
95.06747	0.4
95.07359	9.9
95.08614	10.3
96.07561	0.4
96.08136	5.4
97.06511	0.6
97.10184	2.5
98.06048	0.6
100.07615	0.5
103.05377	0.2
105.04510	0.7
105.07041	7.0
106.06560	0.3
107.07376	0.4
107.08600	6.8
108.08134	3.1
109.10167	3.9
110.09663	0.6
111.11740	1.1
117.06987	0.5
118.06513	0.2
119.08586	6.5
121.08854	0.6
121.10157	6.8
122.09670	3.0
123.11731	1.1
124.11238	0.4
128.14299	0.3
133.10146	4.4
134.09651	0.3
135.10451	0.8
135.11685	4.0
136.11197	1.0
137.13266	1.1
147.11671	2.1
149.13260	1.5
150.12837	0.3
151.14859	0.6
161.13277	0.9
163.14810	0.9
175.14864	0.3
182.18999	0.4
189.16399	0.3
191.17970	1.0
193.19501	0.5
194.77318	0.2
219.21097	0.7
220.20522	0.3
233.22652	4.7
234.22264	0.6
237.22272	0.3
245.22668	4.4
248.23752	0.3
250.25328	10.1
254.24731	0.9
260.23779	0.7
262.25314	100.0
263.23630	0.7
263.25735	0.9
272.25891	5.1
280.26373	11.3
314.26968	0.3
368.31387	0.3
504.47879	2.3
516.47833	7.7
534.48767	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3645
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	13.9
57.03436	6.7
57.07077	6.7
58.32435	2.2
60.01857	2.3
60.08162	9.3
61.02927	5.2
67.05180	4.5
67.05516	63.2
69.07072	17.7
69.33431	7.2
69.33856	13.3
71.07385	6.2
79.05502	15.2
81.07065	65.8
83.08623	14.6
85.10186	2.8
86.09721	30.1
91.03943	3.4
91.05512	12.2
93.07048	22.3
95.08620	65.5
97.06538	7.2
97.10184	8.3
99.08147	4.1
104.10754	100.0
105.07053	9.4
107.08601	13.0
109.10160	24.9
118.64729	2.6
119.08606	8.4
121.10168	14.5
123.11744	15.1
125.00007	8.4
125.13273	2.4
129.80869	2.1
133.10156	10.1
133.98346	2.4
135.11731	10.5
137.13315	7.5
141.12817	3.4
147.11690	7.0
149.13303	7.8
151.14877	5.6
161.13289	10.5
163.14851	8.3
165.16400	5.5
175.14857	8.6
179.18010	5.6
184.07346	28.3
189.16423	4.7
217.19514	2.6
245.22662	46.0
245.24983	4.2
263.23730	56.4
286.56921	2.8
337.27365	45.5
355.28766	3.2
371.01678	2.8
475.22095	19.5
534.29291	6.9
534.36066	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	534.364
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	23.7
57.07058	11.6
67.05507	90.3
69.03445	4.5
69.07063	26.4
69.74129	12.3
69.74541	9.5
71.08612	6.2
79.05482	27.2
81.06599	5.8
81.07057	98.0
83.08604	15.5
85.02898	5.8
86.09705	6.2
89.06048	4.2
91.05473	18.9
93.07027	26.2
95.08610	100.0
97.06535	10.6
97.10162	13.1
104.10738	7.9
105.07026	13.2
107.08583	17.0
109.10142	47.6
119.08582	15.6
121.10160	29.0
121.10889	5.6
123.11694	16.4
133.10124	15.6
135.11687	15.5
137.13254	10.8
147.11649	12.0
149.13274	15.6
151.14766	4.8
161.13235	18.6
161.51022	3.6
163.14783	11.6
165.16412	8.9
175.14906	7.4
179.17984	7.6
184.07304	11.2
204.90604	3.7
227.19916	4.3
232.57875	3.9
245.22655	61.4
255.41530	4.6
263.23697	85.1
263.26288	8.2
311.16266	4.3
337.27295	39.2
458.72409	4.3
507.53824	3.9
551.41595	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	534.2555
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.3
55.01870	3.3
55.05518	7.3
57.03427	2.1
57.07081	2.0
65.03941	1.8
67.05517	11.4
69.03438	3.8
69.07061	6.6
70.10361	1.4
71.05006	2.7
71.51984	2.5
79.05501	13.0
81.03435	3.3
81.07086	9.5
83.04972	5.1
83.08623	12.6
84.08153	11.1
85.02899	7.2
85.04386	1.3
87.00833	2.0
88.34317	1.4
91.05490	19.6
93.07062	25.2
95.04996	3.6
95.08625	13.4
97.02901	3.8
97.06526	4.0
103.05465	6.4
104.05807	1.8
104.80888	1.3
105.01860	2.1
105.07057	31.6
107.08615	71.9
109.02881	1.7
109.06529	4.8
109.10177	31.5
111.04460	1.5
117.07040	5.6
119.08593	19.7
121.02828	2.9
121.06535	2.4
121.10155	18.5
123.08104	3.6
123.11702	3.6
127.03951	3.3
129.06999	2.1
131.04968	13.2
131.08586	15.2
131.80444	1.4
132.05276	3.5
133.06522	3.7
133.10155	28.5
135.08069	4.6
135.11702	16.2
137.05954	2.8
137.09676	4.6
137.13292	1.7
139.03963	1.8
139.07617	2.2
145.05045	1.8
145.10155	14.7
147.08002	2.7
147.11713	8.3
149.09625	11.9
149.13254	6.7
151.07578	4.3
151.11243	9.1
157.10130	2.1
159.08125	1.9
159.11720	5.8
161.13278	8.3
163.07564	1.8
163.11177	1.8
163.14847	3.0
165.09200	2.0
165.12787	2.6
167.10699	5.8
167.78522	1.4
171.11664	1.9
173.09639	1.9
173.13222	2.7
177.09192	7.4
181.08475	1.6
183.10150	2.4
187.14864	9.9
189.12738	4.0
195.10187	25.3
205.15886	5.5
215.14308	4.4
217.93466	1.5
223.16939	2.4
233.15378	19.2
243.13376	1.6
245.95500	1.3
251.16467	100.0
252.16808	3.1
355.29462	3.1
373.30652	3.2
544.22754	1.6
551.59961	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3562
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05024	0.3
58.06609	0.4
60.07895	0.4
60.08171	6.1
65.77579	0.3
67.05498	0.5
69.07047	0.3
70.06574	0.4
70.37794	0.9
70.38146	0.3
71.07379	3.6
78.61047	0.3
79.05509	0.3
81.07058	0.8
83.89878	0.3
86.09714	31.1
92.58797	0.3
93.07041	0.5
95.08608	0.4
97.47529	0.3
98.98467	3.2
104.10753	3.3
107.08592	0.5
125.00014	21.5
133.10207	0.3
136.44473	0.2
139.23929	0.2
145.67039	0.3
162.23862	0.2
184.07356	100.0
403.01608	0.3
516.34674	0.9
534.35712	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
65.94498	12.2
69.31757	100.0
72.25532	11.2
98.20731	23.5
500.94800	13.7
534.27734	15.9
535.28247	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	534.2554
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49068	1.5
53.03947	1.6
55.01875	2.4
55.05513	8.1
57.07119	1.3
59.96812	1.5
67.05511	10.0
67.73437	1.6
69.03416	3.1
69.07053	3.7
70.69376	3.1
70.69749	3.4
71.05020	2.0
74.12245	1.5
79.05494	9.9
81.03423	3.5
81.07064	9.4
83.04985	2.5
83.08613	10.3
84.08145	14.8
85.02916	7.0
90.32668	1.6
91.05498	19.5
93.07053	22.5
95.04964	4.2
95.08611	12.4
97.02909	3.8
97.10128	2.1
99.04473	1.8
103.05470	6.1
104.05817	1.7
105.07034	34.1
107.08607	65.9
109.02864	2.2
109.06525	3.1
109.10159	23.3
111.08055	1.9
117.07030	5.3
118.14916	1.4
119.08580	21.5
120.08072	1.5
121.10160	14.3
123.04440	1.6
123.08064	4.0
123.11704	4.1
127.03918	2.4
127.53648	1.5
129.07004	1.8
131.04935	13.5
131.08591	13.2
131.81987	1.7
132.05286	3.6
133.06465	3.6
133.10133	24.2
135.08054	6.3
135.11717	14.1
137.09622	2.2
137.13225	2.8
143.08531	2.1
145.04916	2.5
145.10121	13.2
147.08057	3.0
147.11742	8.2
149.09602	11.1
149.13219	7.4
151.07535	4.9
151.11151	5.5
158.39255	1.8
159.08070	2.3
159.11705	1.4
161.13254	9.0
163.07556	3.2
163.14912	2.7
165.12775	5.1
167.07039	1.5
167.10693	4.7
169.08665	2.6
171.11661	3.8
177.09135	7.3
181.08539	2.4
183.10146	2.6
187.14870	8.4
189.12747	3.8
189.16371	2.7
191.10718	3.4
191.14243	1.8
195.10191	24.3
205.15895	6.0
215.14291	4.6
223.16962	3.5
233.15396	20.0
247.07936	1.7
251.16454	100.0
252.16751	1.7
256.07037	1.7
355.29523	2.9
373.30521	3.5
391.65860	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2961
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37005	9.7
55.01849	21.1
67.05508	19.3
69.03424	40.7
69.07071	23.5
71.51939	16.1
73.02912	25.4
76.89544	13.0
79.05493	26.6
81.03407	20.0
81.07071	31.9
82.63162	12.8
83.04989	13.8
85.02907	71.5
91.05475	23.6
93.07037	26.7
95.08617	41.3
97.02892	49.6
103.05492	17.1
105.07024	45.7
106.25663	11.2
107.08581	31.3
109.10147	34.1
115.03951	20.1
119.08561	22.5
121.10143	19.2
127.03934	29.9
131.08542	15.5
133.04955	18.7
133.10100	39.8
137.72026	12.0
145.04970	20.2
145.10133	14.6
147.11720	34.2
161.13258	21.3
166.71342	13.2
167.07092	18.5
178.43300	12.4
203.17990	100.0
221.18939	65.5
314.50589	12.7
370.04984	14.2
418.44409	13.3
460.91193	13.6
490.59308	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	533.26
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.8
55.01877	2.9
55.05516	2.0
57.03446	8.4
59.04997	0.8
61.02934	11.1
67.05515	3.3
69.03439	31.2
69.07077	8.1
69.39468	2.2
69.39891	4.4
71.01360	0.7
71.05001	4.9
73.02934	4.8
79.05485	3.7
81.02990	1.1
81.03429	12.6
81.07068	3.8
83.05013	1.7
83.08620	1.7
84.67005	0.8
85.02916	100.0
85.06553	1.1
87.04475	3.9
91.03972	5.4
91.05464	4.4
93.07056	3.8
95.04995	6.6
95.08624	5.0
97.02905	38.3
97.06544	4.0
98.21486	1.5
99.04464	7.5
103.03969	1.2
103.05495	5.0
104.05809	1.8
105.07044	3.5
107.04935	1.3
107.08604	6.8
109.02900	9.8
109.06549	4.5
109.10176	2.6
111.04455	1.1
111.08095	1.0
113.06017	1.1
115.03954	1.4
116.82471	0.6
117.07016	0.8
119.08603	4.5
121.06520	4.1
121.10161	4.4
122.07294	4.1
123.08082	19.2
123.11671	1.0
127.03939	26.0
127.07571	0.9
131.04945	12.2
131.08580	1.2
132.05283	7.3
133.10173	4.7
135.08069	28.6
135.11688	3.9
137.05995	1.6
137.09697	1.7
138.54239	0.7
139.07532	0.8
145.04980	40.6
145.10153	1.1
147.11697	2.6
148.08794	1.4
149.09644	1.5
149.13298	1.4
155.03343	0.7
161.06020	1.0
161.09604	1.1
163.06035	6.1
163.07304	1.0
165.12778	19.4
167.07098	2.2
171.06590	1.7
173.13275	1.3
175.14818	4.0
176.11980	3.6
189.07661	2.8
191.14333	88.2
192.14749	1.1
193.15915	11.8
194.73853	0.8
207.13834	3.1
209.15384	13.5
273.27295	0.7
317.17355	0.8
353.19711	3.2
354.09167	0.9
371.20697	9.8
371.25241	1.1
533.26031	23.9
555.05267	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.384
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94699	5.7
54.62444	5.3
55.01865	22.7
55.05516	52.6
57.03431	15.3
57.07079	12.3
61.36524	5.5
65.03929	5.1
67.05154	4.1
67.05510	99.0
69.07066	46.7
71.04990	15.4
71.52746	8.3
75.54910	4.9
79.05502	69.2
81.07065	100.0
83.04980	14.1
83.08623	26.0
85.06543	9.1
91.05489	43.6
93.07054	70.2
95.04959	9.8
95.08616	74.1
97.06530	44.3
97.09636	5.9
97.10152	32.4
105.07051	30.9
107.08590	42.9
109.10167	30.2
111.08071	7.2
117.07030	21.2
119.08587	33.3
121.10168	31.0
123.11745	14.2
125.09622	27.1
129.07014	8.6
130.81882	5.8
131.08539	27.5
133.10135	33.2
135.11705	44.8
143.08536	9.6
145.10114	30.2
147.11713	19.4
149.13290	9.6
153.12730	7.3
155.08505	6.3
157.10172	11.5
159.11713	17.7
161.13269	11.5
163.11192	8.9
163.14764	6.7
171.11615	7.4
173.13223	14.9
175.14900	8.2
176.99242	14.1
177.05440	7.8
181.12236	39.4
183.11627	5.4
185.13205	10.2
189.11237	14.5
195.00316	43.9
227.12723	25.5
249.18678	5.0
255.15897	16.7
261.22098	11.8
273.22147	9.1
289.25269	10.2
329.24963	5.6
335.25729	25.7
336.92538	5.3
374.96436	4.7
423.32434	18.3
441.33630	15.2
459.34460	9.3
494.92047	6.6
515.26837	5.1
515.28613	5.7
515.37384	89.5
533.28320	66.9
533.38446	36.6
543.89429	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	533.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.3
55.01873	1.8
55.07347	1.0
57.03410	1.8
59.29473	1.0
60.06466	1.3
61.02919	3.2
69.03438	9.8
71.24910	2.1
75.48558	1.3
78.04708	2.9
79.05508	10.9
81.03409	2.7
81.07050	1.5
85.02914	16.2
91.05480	3.8
93.07044	2.3
95.04967	3.4
97.02882	5.9
99.04478	1.5
103.05451	2.9
105.07051	8.8
107.04971	19.1
107.08607	2.1
109.02860	2.0
115.05455	3.8
117.07041	2.4
119.08556	2.9
121.06510	1.3
122.03632	1.9
123.04408	5.3
124.05231	2.6
125.06003	1.7
127.03916	3.6
128.06230	4.5
129.07002	5.2
131.04932	4.8
132.05705	4.2
133.06497	5.3
133.10104	1.6
135.04366	1.3
137.06012	5.8
137.09660	1.5
141.06964	2.0
142.23302	1.1
145.05042	1.6
145.06320	1.3
147.04471	1.6
147.08041	4.0
151.03909	1.6
151.07574	1.8
152.04677	2.9
153.05476	2.9
156.05656	1.6
159.08061	4.6
160.05176	2.7
161.05986	8.4
165.05469	5.3
166.08646	1.9
167.07059	100.0
169.06377	1.6
171.08102	2.7
175.06053	2.1
175.07567	35.0
177.09167	1.2
179.07079	2.1
184.05202	3.1
187.07553	14.4
189.09160	2.2
191.07062	6.5
193.08582	12.2
199.07588	13.0
201.05426	1.4
201.09180	1.8
202.07730	1.6
203.08598	4.4
206.07320	2.0
215.08578	2.7
218.07271	4.4
219.08115	2.5
221.09660	2.3
226.05719	1.3
231.08093	2.2
232.08936	2.3
233.09607	6.0
234.06589	1.8
234.36732	1.3
235.07596	4.2
243.08130	1.6
246.06784	2.8
247.07457	3.5
248.08270	1.4
249.09163	4.1
250.09883	2.1
260.08319	2.9
261.09137	7.3
263.07031	2.4
266.09543	1.6
267.10010	1.9
275.07037	1.5
277.08511	4.5
278.09268	3.3
281.11713	4.7
288.07614	1.6
289.08633	6.5
290.09308	2.1
291.10193	2.8
292.07733	1.3
293.11646	3.4
295.09409	1.7
306.08746	2.4
307.09445	2.8
309.11230	6.1
321.11267	15.8
322.11908	2.3
325.14459	2.0
326.11636	1.4
338.11493	2.8
341.13873	16.5
353.09729	2.1
353.13855	23.6
368.09418	1.4
371.14853	1.6
533.19330	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.3
55.01873	1.8
55.07347	1.0
57.03410	1.8
59.29473	1.0
60.06466	1.3
61.02919	3.2
69.03438	9.8
71.24910	2.1
75.48558	1.3
78.04708	2.9
79.05508	10.9
81.03409	2.7
81.07050	1.5
85.02914	16.2
91.05480	3.8
93.07044	2.3
95.04967	3.4
97.02882	5.9
99.04478	1.5
103.05451	2.9
105.07051	8.8
107.04971	19.1
107.08607	2.1
109.02860	2.0
115.05455	3.8
117.07041	2.4
119.08556	2.9
121.06510	1.3
122.03632	1.9
123.04408	5.3
124.05231	2.6
125.06003	1.7
127.03916	3.6
128.06230	4.5
129.07002	5.2
131.04932	4.8
132.05705	4.2
133.06497	5.3
133.10104	1.6
135.04366	1.3
137.06012	5.8
137.09660	1.5
141.06964	2.0
142.23302	1.1
145.05042	1.6
145.06320	1.3
147.04471	1.6
147.08041	4.0
151.03909	1.6
151.07574	1.8
152.04677	2.9
153.05476	2.9
156.05656	1.6
159.08061	4.6
160.05176	2.7
161.05986	8.4
165.05469	5.3
166.08646	1.9
167.07059	100.0
169.06377	1.6
171.08102	2.7
175.06053	2.1
175.07567	35.0
177.09167	1.2
179.07079	2.1
184.05202	3.1
187.07553	14.4
189.09160	2.2
191.07062	6.5
193.08582	12.2
199.07588	13.0
201.05426	1.4
201.09180	1.8
202.07730	1.6
203.08598	4.4
206.07320	2.0
215.08578	2.7
218.07271	4.4
219.08115	2.5
221.09660	2.3
226.05719	1.3
231.08093	2.2
232.08936	2.3
233.09607	6.0
234.06589	1.8
234.36732	1.3
235.07596	4.2
243.08130	1.6
246.06784	2.8
247.07457	3.5
248.08270	1.4
249.09163	4.1
250.09883	2.1
260.08319	2.9
261.09137	7.3
263.07031	2.4
266.09543	1.6
267.10010	1.9
275.07037	1.5
277.08511	4.5
278.09268	3.3
281.11713	4.7
288.07614	1.6
289.08633	6.5
290.09308	2.1
291.10193	2.8
292.07733	1.3
293.11646	3.4
295.09409	1.7
306.08746	2.4
307.09445	2.8
309.11230	6.1
321.11267	15.8
322.11908	2.3
325.14459	2.0
326.11636	1.4
338.11493	2.8
341.13873	16.5
353.09729	2.1
353.13855	23.6
368.09418	1.4
371.14853	1.6
533.19330	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.4363
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	5.1
57.07058	4.3
62.46521	2.7
64.34734	2.6
66.45082	2.2
67.05503	6.2
69.07060	10.7
71.08629	3.5
79.05477	6.2
81.07060	16.1
81.49528	2.5
83.08598	6.3
91.05465	5.0
93.07021	13.2
95.08620	25.2
105.00108	3.9
105.07020	12.3
107.08607	28.2
109.10175	12.7
119.08575	14.1
121.10148	20.6
123.11676	6.7
133.10129	11.5
135.11684	14.7
139.11142	2.7
145.10127	4.9
147.11682	13.1
149.13272	30.2
159.11688	8.6
161.13235	5.0
163.14761	2.6
173.13400	5.6
175.14815	2.5
177.16299	3.6
180.55110	3.3
185.13342	3.3
187.14854	8.8
191.17990	3.7
201.16382	19.4
203.17989	26.9
213.16451	3.1
215.17934	5.5
223.17012	4.8
227.18031	7.8
229.61511	2.9
233.19009	6.8
245.19073	3.4
251.20067	18.9
283.24280	5.0
360.60092	3.4
405.35129	3.3
423.36273	100.0
441.37363	26.5
501.39255	12.4
532.41638	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	531.4053
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02359	2.4
53.03937	6.8
55.01864	2.5
55.05521	30.8
56.82200	2.5
57.03448	5.1
57.07073	4.5
57.63670	2.5
65.03946	2.9
67.05511	77.5
69.07071	32.1
70.06583	3.7
71.04988	5.6
71.08629	3.6
71.52019	3.8
77.08516	2.3
79.05497	58.6
81.07062	100.0
83.04986	4.3
83.08617	15.8
85.06528	6.1
91.05490	42.2
92.26894	3.1
93.07053	64.6
95.04956	4.9
95.08617	76.7
97.06544	10.4
97.10160	8.1
99.08119	4.2
105.06406	3.2
105.07041	36.7
107.08601	27.6
108.74950	2.5
109.06525	3.3
109.10174	18.2
111.08096	5.8
115.82531	2.5
117.07007	9.3
119.08601	33.1
121.10149	23.6
123.08101	4.2
123.11709	6.6
131.08554	18.5
133.10129	22.3
135.11713	18.3
137.09644	3.2
137.13229	7.9
143.08580	3.7
145.10097	14.4
147.11688	11.0
149.13266	8.9
152.55110	2.9
153.72086	2.8
157.10139	4.3
159.11707	10.4
161.13289	28.6
163.14795	4.1
171.11652	5.3
173.13252	8.8
175.14854	4.5
179.14310	10.0
187.14894	5.7
216.02824	2.7
253.18028	22.6
256.26361	7.5
257.26642	4.4
261.22137	8.4
263.64099	2.7
335.25668	10.5
439.35776	4.4
457.37021	4.7
493.25159	2.8
513.39429	9.4
531.33221	4.6
531.40576	75.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.3123
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	2.2
55.01872	3.1
55.05530	2.4
56.30511	2.3
57.03450	9.9
57.07072	1.7
61.02926	7.9
66.72025	1.8
67.05517	15.0
69.03449	20.7
69.07066	8.7
70.68619	6.2
71.01374	3.4
73.02924	45.6
77.28074	1.8
79.05502	19.0
81.03431	3.9
81.07067	60.6
83.04985	1.9
83.08627	2.0
85.02911	39.2
87.04479	4.6
91.05496	9.3
93.07061	15.4
95.04961	2.7
95.08620	27.5
97.02905	33.7
99.04478	3.4
105.07040	43.9
107.08598	15.2
109.02892	4.0
109.10163	47.8
115.03941	20.4
119.08590	41.2
121.06521	1.9
121.10149	8.6
123.11723	44.4
126.16212	2.1
127.03983	12.7
133.04982	14.0
133.10136	18.6
135.11714	2.1
136.09846	2.0
139.11143	2.2
145.04967	16.8
147.11714	32.3
161.13289	7.3
163.06039	5.3
175.14908	3.4
184.07343	3.0
201.16383	2.7
203.17981	100.0
204.18289	2.4
206.85643	1.9
223.06230	2.3
236.05583	2.0
241.07162	3.8
259.08206	3.1
262.99597	2.0
314.69257	2.2
335.22336	2.8
409.81412	2.1
494.99048	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.4052
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40474	1.6
53.03943	6.9
55.01874	3.5
55.05516	37.2
57.03436	7.5
57.07081	2.6
58.13817	1.4
65.03939	4.9
67.05511	87.5
69.03430	3.1
69.07077	28.9
69.86335	7.6
71.05001	10.6
79.05499	60.1
81.03454	2.0
81.07064	100.0
83.05008	5.7
83.08626	17.6
85.06538	6.5
91.05486	42.4
93.07054	63.1
95.04984	7.2
95.08614	97.8
97.06554	12.4
97.10173	5.4
99.08097	3.9
103.05525	1.8
105.04559	2.8
105.07038	33.1
107.08616	30.1
109.06523	2.9
109.10166	22.0
111.08074	4.7
117.07025	7.8
119.08586	33.4
121.10166	25.6
123.08083	3.7
123.11730	6.7
125.09627	2.0
129.07013	3.3
131.08575	15.2
133.10149	28.2
135.11707	21.4
137.09656	4.7
137.13260	9.4
143.08627	4.3
144.66203	1.6
145.10161	12.6
147.11714	7.3
149.13252	10.2
157.10146	3.1
158.84373	1.6
159.11751	8.3
160.12129	1.8
161.13264	30.2
163.11319	2.0
163.14894	5.1
168.84145	1.5
169.10146	2.2
171.11641	1.9
173.13301	7.5
175.14851	3.7
179.14345	10.5
183.11693	2.1
185.13306	3.1
187.14818	2.9
195.13863	2.0
203.17639	1.6
243.20906	1.9
253.17995	22.8
255.19640	2.0
259.20734	2.5
261.22198	7.5
284.64755	1.6
301.25378	2.7
315.50763	1.6
333.24481	2.1
335.25696	9.3
439.35764	6.5
457.37036	2.1
501.15814	1.9
513.39624	8.3
531.40582	66.5
532.41272	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.4423
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10030	1.4
55.05521	11.7
57.03443	15.3
57.07081	36.2
59.04983	2.3
67.05508	44.6
69.07071	21.5
69.29371	1.5
70.10802	3.5
70.11182	4.1
70.78642	1.6
71.04980	6.5
71.08636	24.5
79.05500	10.4
81.07060	90.5
83.08626	10.7
83.89682	1.5
85.06544	16.9
85.10189	11.5
87.04465	17.2
89.06051	2.7
91.05477	6.6
93.07042	7.1
95.08611	88.5
97.06538	3.2
97.10161	4.3
99.08083	3.6
105.07016	6.1
106.54276	1.6
107.08608	4.2
107.49159	1.7
109.10161	8.1
119.08574	5.9
121.10142	4.7
123.08086	2.1
123.11704	7.2
128.29584	1.8
137.13246	5.1
147.11736	11.1
165.12735	10.8
183.13895	6.6
201.14932	2.3
239.23636	2.2
248.87898	1.8
257.17490	100.0
276.91064	2.3
302.36664	1.6
313.27365	86.5
374.66101	2.2
495.40494	61.2
530.39288	1.7
531.40192	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.26
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.3
55.01868	1.0
55.05503	0.9
56.05033	0.8
57.03443	1.5
60.04527	8.2
61.02916	1.6
65.03958	0.8
67.05494	2.2
68.05027	2.5
69.03426	5.2
69.05824	1.3
69.59234	3.3
69.59656	1.1
69.83395	0.6
70.06604	3.2
73.02910	1.1
78.53921	0.6
79.05496	1.2
81.03410	1.6
81.07060	1.6
84.04509	23.7
85.02911	10.8
86.06075	9.8
87.04473	0.9
91.05498	2.7
91.33218	0.7
91.79327	0.6
93.07058	2.3
95.04950	0.7
95.08620	0.8
96.08141	0.7
97.02898	4.2
97.06562	1.0
98.20809	1.2
99.04450	0.9
102.05547	36.6
103.05462	2.3
105.07020	3.2
107.08627	1.7
109.02901	1.3
109.06490	1.0
109.10195	1.6
110.06067	1.2
112.07635	1.8
117.07040	1.0
119.04966	1.6
119.08617	2.8
121.06525	1.0
121.10155	1.4
121.61021	0.6
122.03660	0.7
123.04469	0.6
125.06033	0.8
126.05457	0.7
127.03926	2.1
129.07021	0.7
130.02069	0.6
131.04924	5.2
131.08549	1.1
133.06483	0.9
133.10132	1.4
135.08054	0.9
137.05989	17.1
142.31293	0.7
145.04921	0.8
145.10132	1.3
147.04417	2.4
147.08101	0.9
149.05971	1.8
151.07574	1.4
157.10121	0.8
159.11688	0.8
161.05960	1.9
163.07561	8.5
165.07059	1.4
167.07082	0.6
169.15013	0.6
173.13301	1.6
175.11096	0.7
179.07027	2.0
184.11256	0.6
208.46811	0.6
209.91750	0.6
222.06784	1.1
225.09015	1.0
265.08618	1.6
267.10278	0.8
283.09711	2.8
285.11331	1.2
292.19586	0.7
297.11365	2.3
299.12872	1.0
315.12393	1.9
368.20706	43.5
368.28650	1.5
477.17606	1.8
530.26025	100.0
531.26538	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	530.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12373	0.5
59.80110	0.5
66.04744	0.6
69.03433	1.1
70.06592	0.7
71.07774	1.1
71.08122	0.5
74.90133	0.4
78.04732	1.3
79.05497	0.9
79.29049	0.4
81.03384	0.5
84.08152	0.5
85.02905	2.4
86.06065	1.3
91.05466	1.1
92.59388	0.4
94.04187	1.7
97.02887	1.1
105.03409	0.5
106.04210	0.8
107.04996	0.5
108.21483	0.5
122.03666	4.6
123.04429	2.9
124.05217	0.9
127.03924	0.8
131.04918	1.3
133.02841	0.7
137.05986	100.0
138.06389	0.6
145.04964	0.6
147.04442	1.1
149.05980	0.8
151.03909	0.9
151.07603	1.1
152.04710	1.2
153.05489	0.8
153.07051	0.6
161.05995	0.9
163.07571	1.3
165.07016	1.3
167.07053	95.1
168.07405	0.7
174.88249	0.5
179.07030	1.5
181.06479	0.8
183.08035	1.9
196.05302	0.5
211.07503	1.9
239.07048	0.7
243.10175	1.8
265.08630	0.7
271.09692	1.9
283.09637	2.2
288.10220	0.9
303.12308	8.4
315.12314	6.7
333.13284	3.2
366.49100	0.5
444.62012	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3893
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14338	1.3
53.03944	3.8
55.05516	20.1
57.03435	4.5
57.07071	3.8
65.03928	3.9
67.05511	45.8
68.99056	1.4
69.03445	2.1
69.07073	15.7
70.06596	2.3
71.04995	2.0
71.08656	1.8
71.51630	1.8
79.05497	33.9
79.92846	1.5
81.03431	3.4
81.07063	50.8
83.04977	3.6
83.08637	11.5
85.06537	2.7
85.10158	1.8
87.04482	12.8
88.07647	2.7
91.05489	25.1
93.07050	37.5
95.04964	3.4
95.08608	31.2
97.06535	4.3
97.10172	4.4
102.09182	1.8
105.04540	1.9
105.07038	27.7
107.08611	21.5
108.08920	1.5
109.06500	2.9
109.10154	11.5
111.08080	2.1
113.09704	1.5
115.05401	1.6
117.07040	13.6
119.08588	21.7
121.06553	2.9
121.10165	15.3
123.08073	1.5
123.11736	4.1
128.06273	2.3
129.07021	6.4
131.08565	19.3
133.10159	17.0
135.11722	8.4
137.13318	1.5
139.11279	1.4
141.07005	2.0
143.08592	7.6
145.10126	16.9
147.11702	9.9
149.13290	8.4
149.38991	1.3
155.08569	3.4
157.10146	6.3
159.11732	14.3
161.13309	5.4
163.11276	1.7
167.08679	1.6
167.64343	1.4
169.10199	4.5
171.11696	8.0
173.13315	10.5
180.63112	1.6
183.11720	3.3
185.13264	5.9
187.14859	5.6
192.21060	1.5
193.12068	1.9
195.11732	1.8
195.13879	4.4
197.13248	3.5
199.14870	3.2
209.13248	2.5
219.17390	1.7
256.26404	16.8
261.22086	1.8
297.22467	1.8
299.23871	2.1
419.33020	3.9
437.34369	11.9
455.35019	4.1
473.36179	2.0
485.36298	2.9
511.37808	7.5
529.38910	100.0
530.38739	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3892
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	5.6
55.01867	1.6
55.05512	18.4
57.03445	4.2
57.07074	2.2
63.84318	0.8
65.03938	3.5
67.05508	55.9
69.06724	1.5
69.07071	18.3
71.04983	2.9
79.05497	46.1
81.03412	2.4
81.07063	62.5
83.04984	3.7
83.08630	10.8
85.06549	2.1
86.19593	0.8
91.05484	29.9
93.07050	49.8
95.04980	4.4
95.08612	29.5
97.06516	5.8
97.10176	2.8
98.20788	2.0
98.21471	3.3
99.08066	1.4
103.05467	1.2
105.04516	2.3
105.07036	21.6
107.08597	26.5
109.06531	1.2
109.10168	13.1
111.08105	2.9
112.40874	0.8
114.78973	0.8
115.18846	0.8
117.07005	10.2
119.08587	14.7
121.06495	1.1
121.10151	20.4
123.08119	1.3
123.11729	4.8
128.06268	1.3
129.07036	4.7
131.08569	16.1
131.52777	0.8
133.10150	15.5
135.08148	1.2
135.11711	12.3
139.11186	0.9
141.07010	1.2
142.07813	1.0
143.08575	6.9
145.10133	13.4
147.11696	7.5
149.13268	13.7
151.11194	1.6
155.08580	3.0
157.10161	5.5
159.11697	12.4
161.13255	4.1
169.10147	2.9
171.11671	4.4
173.13274	7.3
175.14845	1.9
177.12787	3.0
181.10132	1.0
183.11676	3.1
185.13321	4.0
187.14832	3.6
195.13803	8.8
197.13322	1.7
199.14851	2.3
201.16336	1.3
209.13315	1.7
211.14754	1.2
225.16420	1.4
243.21107	1.3
253.17924	1.1
261.22211	3.9
317.24463	1.1
419.32996	2.0
437.34247	8.4
455.35107	2.3
493.37094	1.1
511.37802	4.5
529.38916	100.0
530.38843	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.4109
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	17.8
57.03443	10.0
57.07087	8.1
67.05513	100.0
69.07072	15.2
71.51905	4.7
71.52294	4.9
74.09720	9.8
79.05507	5.2
81.07080	38.9
83.08639	11.3
85.10213	4.1
86.11192	4.0
89.06042	98.4
91.05495	13.7
93.07052	17.3
95.08615	28.1
97.06580	6.7
97.10157	5.8
105.07067	7.5
107.08628	6.6
109.10174	69.8
119.08639	5.6
121.10202	6.4
123.11764	5.4
133.08618	61.0
133.10147	4.7
155.10693	4.9
173.11784	15.9
177.11282	18.9
221.13782	5.3
229.14383	81.5
263.23712	6.6
283.17636	4.8
327.20135	42.1
337.27393	75.1
427.45148	4.9
491.37415	48.3
527.37177	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	528.3384
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73512	1.0
53.03941	2.3
55.01858	1.0
55.05510	3.6
56.05045	4.6
57.02779	0.8
57.03440	2.1
60.04531	100.0
60.43089	0.8
61.02921	3.2
67.05513	12.0
68.05042	1.2
69.03432	9.7
69.07055	2.4
70.06585	4.1
71.04996	2.0
71.43466	2.1
72.04511	2.3
73.02912	1.2
74.06086	2.9
79.05499	8.3
80.05019	2.2
81.03416	3.4
81.07067	13.0
82.06585	1.5
83.04996	2.4
83.08616	1.9
84.04516	1.5
85.02914	15.3
85.03389	1.6
85.06544	3.5
86.06074	3.9
87.04440	1.2
87.39342	0.9
88.93289	0.9
90.05575	2.1
91.03972	0.9
91.05468	5.0
93.07053	6.9
94.06577	1.6
95.04985	2.8
95.08608	10.0
97.02889	5.0
97.06532	1.0
98.06098	1.5
99.04452	2.7
102.05551	1.1
104.07101	2.4
105.07024	5.5
107.08618	4.7
108.08121	1.3
109.02904	1.1
109.10152	6.1
110.67733	0.8
111.08084	1.1
111.60801	0.9
117.07036	2.0
119.08589	4.3
121.10133	4.7
123.08090	1.1
123.11731	1.8
126.05534	1.0
127.03926	2.9
131.08546	2.6
133.07590	1.9
133.10130	4.0
135.11726	3.0
145.04997	1.2
145.10162	1.8
147.11725	2.5
159.11716	1.2
161.07140	3.4
161.13292	1.1
163.08685	5.1
175.08702	2.5
175.14813	1.1
207.07683	21.8
224.11375	1.9
232.07146	2.3
234.18700	1.3
252.19588	2.0
264.23453	1.5
270.20724	1.8
276.23306	3.1
279.13510	3.2
294.24292	4.8
305.11554	1.5
312.25372	5.5
323.12354	11.0
330.26401	8.9
348.27478	27.8
366.12985	33.4
366.28531	93.5
367.13672	1.0
408.29684	2.2
456.29376	1.1
474.30899	2.6
477.74634	1.0
492.31702	1.5
510.32843	4.1
528.33856	73.5
529.33716	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3898
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	1.5
53.03958	6.1
54.87686	0.8
55.01882	2.7
55.05268	1.5
55.05521	21.8
57.03443	5.1
57.07076	2.9
57.75386	0.8
65.03941	4.0
67.05518	69.2
69.03421	1.2
69.07079	21.9
71.05005	4.3
71.08620	1.0
71.60791	0.8
73.06573	0.9
79.05508	55.4
81.07072	75.1
83.05003	5.6
83.08639	13.1
85.06561	2.6
86.89828	1.0
87.04474	1.5
91.05500	35.0
93.07059	67.5
95.04991	5.9
95.08624	36.3
95.09251	1.1
97.06535	8.7
97.10180	3.4
99.08116	2.0
105.04554	2.8
105.07053	21.5
107.04987	1.0
107.08611	34.6
109.06558	3.2
109.10185	10.6
111.08120	4.4
113.09678	1.0
117.07034	11.9
119.08609	14.6
121.06518	2.0
121.10163	26.5
123.08101	1.2
123.11728	3.9
125.09605	1.7
128.06255	1.5
129.07047	3.3
131.08597	18.8
133.10159	11.8
133.62697	0.8
135.08090	1.4
135.11711	16.6
139.11218	1.6
141.06987	1.6
143.08606	4.4
145.10152	10.9
147.11713	6.7
149.13290	25.1
155.08650	2.6
157.10161	5.6
158.49152	0.9
159.11737	18.3
161.13344	4.4
169.10155	2.0
171.11766	4.1
173.13284	7.2
175.14896	1.5
177.12813	4.3
181.10257	1.3
183.11736	2.3
185.13318	3.1
187.14864	4.1
195.12085	1.8
195.13893	6.8
199.14908	2.2
201.16553	1.2
211.14813	1.5
213.14742	1.4
213.16563	1.3
229.40527	1.1
237.16379	1.0
243.21074	2.1
261.22235	6.0
261.24564	1.1
276.91107	1.5
299.23779	1.0
303.60214	1.1
317.24722	1.5
419.33142	1.0
437.34192	6.2
455.35425	3.2
473.36136	2.1
511.37756	3.7
529.39001	100.0
530.39307	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	525.2698
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.8
54.09164	2.4
55.05503	6.3
57.07065	2.2
67.05514	13.3
69.03424	9.0
69.07052	6.7
70.94373	2.1
71.05000	2.7
71.15250	4.4
75.00654	2.0
75.41224	1.9
79.05505	12.3
81.03407	8.0
81.07053	21.0
83.05007	12.9
83.08604	4.5
83.94266	2.0
85.02885	7.3
85.06535	5.1
87.00808	3.8
91.05471	9.4
93.07038	23.6
95.04935	2.4
95.08597	14.1
97.02906	2.1
99.04420	2.7
105.01772	2.5
105.07034	18.6
107.04979	4.1
107.08596	21.5
109.06495	4.8
109.10170	19.0
111.08097	4.5
113.09646	6.7
117.76284	2.3
119.08594	24.1
121.06505	5.1
121.10154	29.2
121.84090	2.0
122.07250	3.2
123.11714	7.5
125.09614	4.3
127.03903	5.5
133.10132	49.3
135.08101	3.3
135.11673	7.2
137.05888	2.4
137.09619	31.0
139.11206	4.7
143.08640	2.2
145.10110	4.0
147.08055	6.1
147.11673	7.1
149.09668	3.9
149.13258	5.0
151.11209	14.4
161.09576	5.9
161.13280	6.5
163.11154	2.3
171.11748	2.9
175.14824	19.1
185.13277	2.5
189.12741	2.1
191.14217	3.0
201.16435	4.4
203.14336	9.6
205.11040	2.6
217.15878	4.3
221.15283	2.6
233.53529	2.3
241.19489	3.0
259.20581	33.4
273.84277	2.1
277.21634	100.0
388.47473	2.3
466.47241	2.2
489.24817	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	526.3227
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.3
53.27305	2.3
55.01866	7.9
55.05508	6.6
57.03438	15.4
57.07076	4.6
61.02938	12.4
62.06051	3.1
67.05498	10.4
68.57357	2.1
69.03096	2.7
69.03437	40.4
69.07057	4.3
70.06597	4.9
71.01380	4.6
71.04971	3.6
71.40030	4.2
73.02924	65.9
81.03433	6.3
81.07064	30.9
83.08617	10.4
85.02913	100.0
87.04474	4.9
87.34863	2.3
91.03938	3.9
91.05439	2.4
93.07072	2.9
95.08614	34.6
97.02900	66.2
97.10178	12.4
99.04465	5.5
100.11256	5.4
103.03928	4.3
107.08601	3.7
109.02898	11.0
109.10173	40.1
115.03942	30.2
123.11723	42.7
127.03934	32.1
127.63867	2.2
133.04970	43.0
137.13292	13.0
145.04980	39.2
150.07698	2.6
163.06049	22.7
163.90550	2.3
177.16417	3.4
179.17957	39.9
197.19032	41.0
223.05988	9.4
241.07050	9.9
259.08194	11.6
270.67960	2.6
293.15338	4.0
293.21384	2.9
295.10260	3.6
295.48575	2.4
311.16626	3.4
359.72601	2.3
404.40042	2.3
413.58258	2.9
526.23077	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	525.2315
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98623	0.3
55.05505	1.6
59.04992	0.4
61.95096	0.4
67.05502	1.8
69.03411	1.1
69.07068	2.1
69.86395	1.0
69.86810	1.5
71.04979	1.3
79.05500	1.1
81.07055	3.0
83.04988	0.6
83.08627	0.7
85.02911	0.8
85.06556	0.9
86.09699	0.6
91.05486	1.2
93.07051	1.8
95.08624	3.0
97.02753	0.5
97.06512	0.5
97.10201	0.7
98.21565	0.4
105.07032	1.8
107.08578	2.1
109.02813	0.7
109.10174	2.5
114.90200	0.4
119.08607	1.5
121.06509	1.2
121.10145	1.1
123.08081	0.6
123.11685	0.9
127.00063	0.8
127.11190	0.6
131.05023	0.6
131.08609	1.0
133.10161	1.2
135.08070	0.8
137.05983	0.7
139.11250	0.6
143.08539	0.6
145.10143	0.7
147.07910	0.6
147.11711	0.6
149.09618	0.6
149.13292	1.2
153.12756	0.6
155.08522	0.5
159.08063	0.6
159.11757	0.5
161.09682	0.6
161.13234	0.6
163.11230	0.7
165.09164	0.9
167.07101	0.6
169.04761	2.9
177.08888	1.0
186.80641	0.5
189.12656	0.6
191.10806	0.6
203.05360	1.1
223.17024	0.6
227.05257	0.8
245.06358	4.0
259.16708	5.5
259.20837	0.5
271.04388	0.5
277.17737	7.1
289.05463	3.0
305.17239	0.6
309.28012	0.6
323.37582	0.5
327.19580	0.5
340.13956	0.6
353.49219	0.5
363.21628	0.6
369.18741	2.1
411.19983	3.5
421.21960	1.8
439.23102	7.8
455.18555	0.6
463.22995	3.1
481.24149	28.6
482.24399	0.5
507.21921	4.6
525.23126	100.0
526.23938	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2313
Annotation	Javanicolide C
Peak:m/z	Relative Intensity
53.03937	0.5
55.01854	0.5
55.05510	0.7
56.31395	0.5
59.45521	0.4
61.63762	0.3
62.54559	0.3
67.05500	1.1
69.03448	0.9
69.07057	1.8
71.04978	0.7
72.08159	0.5
73.02903	0.4
79.05492	0.8
81.03429	0.6
81.07078	3.0
83.05001	0.8
85.02917	1.0
85.06532	0.8
88.89653	0.5
91.05489	1.0
93.07053	1.9
95.04953	0.9
95.08601	2.9
97.02872	0.6
97.06528	0.5
99.04446	0.5
99.08127	0.4
105.07024	1.7
107.08600	2.3
109.06522	0.7
109.10178	1.8
117.07024	0.4
119.08592	0.9
121.06506	0.9
121.10160	1.3
123.11720	1.1
125.06065	0.5
125.09635	0.5
125.85503	0.4
127.00066	0.5
127.03904	0.6
127.11203	0.6
131.04996	1.0
131.08559	0.8
133.10132	1.4
135.11710	0.5
141.05177	0.6
145.10143	0.7
147.11742	0.6
149.13222	1.1
159.11691	0.7
161.09685	0.9
163.11174	0.5
165.09117	0.8
167.07101	0.5
169.04709	2.6
177.08931	1.0
191.10666	0.4
201.96994	0.4
227.05295	0.7
241.17912	0.4
245.06337	3.3
253.95868	0.5
259.16696	4.6
259.20773	0.5
271.04312	0.5
277.17804	6.5
289.05368	3.4
305.17499	0.9
309.27887	0.6
315.19507	0.6
369.18826	1.8
411.19843	3.7
421.21997	2.4
439.23059	6.6
455.19083	0.8
463.22937	2.3
478.35529	0.5
481.24167	29.6
482.24350	1.0
493.20996	0.5
507.22171	5.2
525.23114	100.0
526.23450	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	525.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31829	0.7
55.01867	0.9
56.96568	24.1
57.03448	4.6
59.05010	1.3
61.02928	2.6
67.05475	0.7
68.20720	0.7
69.03433	11.9
70.68138	1.9
71.01366	7.0
71.04984	1.9
71.95265	1.5
72.08144	1.1
73.02934	4.3
74.97611	1.1
81.03423	2.7
83.04987	0.9
84.96045	11.5
85.02913	21.1
87.04482	4.5
91.05487	1.3
97.02898	15.7
97.96859	0.7
98.03233	1.1
98.43324	0.8
98.97594	100.0
99.04459	2.5
99.97931	1.1
100.99093	0.8
101.00880	2.7
101.02402	1.6
102.97027	1.3
105.07011	1.2
109.02885	3.0
109.06555	0.7
110.01270	0.9
110.97585	21.1
112.99149	4.8
113.00865	1.2
113.02385	2.8
115.00655	0.8
115.02451	0.6
115.03968	1.7
115.39977	0.6
116.04357	0.7
116.98635	30.7
119.01900	5.1
119.04972	1.2
119.92625	0.7
124.99145	2.4
125.99094	0.8
126.97057	1.9
127.00676	2.3
127.03909	5.4
128.98631	15.9
129.01796	3.9
129.05513	0.8
131.00201	4.5
131.01918	2.8
133.01762	0.9
133.03453	0.9
134.99672	5.6
137.05972	3.1
138.97098	1.7
140.02336	1.3
140.98618	2.3
141.01900	1.0
143.00163	4.7
143.01930	4.0
144.98123	3.2
145.01724	3.7
145.03616	0.8
145.04987	6.5
146.99669	6.8
147.03296	2.5
147.04417	3.6
149.01207	1.1
152.02261	0.9
152.98621	3.2
155.00165	1.9
155.01917	2.4
156.98108	5.7
157.01729	1.4
157.03476	2.7
158.99670	44.1
159.03256	2.1
161.01292	3.7
161.02942	4.2
161.04721	1.8
162.99223	2.1
163.02747	2.0
165.04337	1.2
167.07085	0.7
168.05504	2.1
168.98175	1.9
169.04477	3.7
170.05215	3.0
170.55278	1.1
170.99649	6.6
171.03290	7.5
173.01224	2.6
173.02956	1.8
173.06622	1.2
174.99144	7.1
175.02785	2.8
175.04491	1.6
177.00737	26.3
177.04269	2.9
177.05710	0.9
178.04959	6.3
179.02301	1.3
182.03391	0.9
182.99742	2.4
184.97595	2.3
185.01283	1.9
185.02946	1.4
185.04861	0.6
185.06586	1.7
186.99242	4.6
187.00723	0.8
187.02800	1.5
189.00795	5.8
189.02591	1.1
189.04366	10.9
191.02267	1.6
191.03850	1.0
192.04659	3.9
193.00146	0.8
193.03780	1.2
194.87949	0.8
195.05399	1.0
196.97667	1.6
197.03041	0.9
198.99199	1.5
201.00728	5.5
201.02475	1.3
201.04260	1.3
202.98741	1.5
203.04051	1.8
203.07658	1.3
205.00237	1.8
205.03874	2.3
207.01874	0.9
207.05382	1.7
208.04985	0.9
213.00653	0.9
213.02505	1.0
213.04413	2.2
214.98682	2.2
215.04137	0.8
215.07710	1.8
217.00307	1.2
217.05484	1.1
219.01764	22.0
219.03658	1.2
219.05162	1.3
220.02295	0.9
221.03255	1.4
221.05173	1.1
223.04861	1.1
223.06732	2.1
226.01439	0.9
226.05972	1.3
229.00270	1.5
231.05396	2.6
232.99733	1.0
233.03096	0.9
234.05728	1.4
235.02901	1.1
237.02817	21.5
239.04405	1.4
241.00298	1.2
245.05177	1.1
247.01244	1.6
247.04803	1.1
249.06479	1.3
250.07106	1.1
254.03773	1.3
255.03941	1.0
256.99738	1.0
261.02609	1.6
263.04153	1.1
270.05045	1.0
272.06625	2.3
273.02591	1.0
275.00842	1.0
275.04413	1.2
279.04053	3.6
291.04251	1.5
291.07529	18.2
293.10938	3.7
295.05841	0.7
303.04242	0.9
303.07510	1.5
304.04703	0.9
305.10867	1.6
305.57535	0.8
309.08582	40.4
309.56967	0.8
310.08701	1.0
313.06903	1.3
318.04788	0.8
319.07184	1.4
321.05048	4.2
321.08627	5.5
327.00229	1.4
332.10464	1.2
333.04565	1.2
336.07104	0.9
337.08139	0.9
338.08624	1.1
339.09665	4.7
340.10699	0.9
342.05243	1.0
344.07333	0.8
345.01392	4.7
345.05615	0.9
351.09665	50.0
352.08566	1.0
363.02396	2.1
363.06772	0.9
363.09955	1.2
367.10867	1.3
377.09421	1.1
382.07846	0.7
382.12805	0.8
395.08054	1.4
395.12421	2.8
421.13962	5.0
439.14987	6.7
465.12903	19.4
481.15845	7.2
483.13950	6.1
489.13153	1.6
525.15161	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	524.3951
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.2
55.05514	12.7
57.03445	12.1
57.07078	5.7
59.05014	3.6
60.98488	2.1
65.03945	4.7
67.05512	100.0
69.07078	10.8
69.48051	14.0
71.04982	2.8
71.08611	3.5
79.05496	21.4
81.06602	2.6
81.07065	47.2
82.52898	2.0
83.04979	3.3
83.08612	8.2
91.05498	18.5
93.07053	29.2
95.08623	24.7
97.10168	3.5
105.07026	8.7
107.08614	16.5
109.10167	70.1
111.08082	4.1
117.07010	3.4
119.08616	11.7
121.10126	10.3
123.11760	2.6
131.08571	7.4
133.10136	3.8
135.11661	5.2
137.09634	4.3
145.10130	3.6
147.11641	3.1
149.13251	3.2
155.10678	5.1
163.14687	3.0
173.11731	18.9
173.13220	4.3
175.14902	2.8
184.07419	3.3
193.90479	2.3
201.89799	2.3
227.12883	3.6
229.14384	73.1
243.21103	2.9
261.22110	14.1
313.26929	2.5
335.25818	77.3
489.35815	40.8
524.40198	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	525.1011
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08628	1.3
55.05503	2.3
62.58460	1.6
67.05495	5.5
69.03448	3.6
69.07064	2.7
69.76888	8.5
74.06059	1.6
79.05501	4.4
80.87231	1.4
81.07057	5.8
85.02903	2.7
85.06548	5.7
91.05491	2.0
93.07040	4.4
95.08604	6.6
97.02911	2.2
99.08118	2.5
105.07047	2.6
107.08612	4.0
109.02958	1.6
109.06567	2.0
109.10157	5.5
111.08102	2.3
119.08604	3.1
119.12830	1.5
121.10175	4.2
123.08062	1.9
123.11701	1.6
131.04941	2.6
132.05363	1.6
133.10153	2.2
135.11694	1.6
137.09645	1.9
147.11810	1.9
149.13222	1.4
171.13795	2.1
175.07616	1.7
276.02325	1.6
291.26996	2.3
365.39355	1.6
380.83054	1.7
408.32962	1.6
489.07834	2.3
493.07629	15.4
507.08951	2.4
525.10168	100.0
525.21967	9.0
526.10455	3.3
533.12024	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.3071
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.2
55.01874	9.0
55.05509	6.5
57.03195	1.3
57.03444	17.6
57.07058	2.0
59.04994	2.0
60.10163	1.1
60.73904	1.2
61.02932	13.5
63.87606	1.2
67.05498	5.0
69.03435	41.2
69.07071	11.8
70.55204	2.8
70.55537	1.7
71.01344	4.9
71.04994	3.6
73.02927	66.6
73.04678	1.1
79.05502	6.9
81.03437	7.5
81.07059	12.5
83.08624	11.4
85.02913	91.3
87.04463	4.2
91.03944	2.1
91.05494	6.2
93.07053	17.2
95.08614	33.8
97.02901	61.8
97.10168	2.6
99.04459	4.6
103.03927	3.8
105.07046	6.0
107.07877	2.4
107.08605	46.6
109.02888	8.0
109.10184	11.4
111.04451	1.3
112.17204	1.2
114.98723	1.2
115.03941	25.0
119.08627	2.0
121.10155	65.3
121.11043	3.1
123.08096	1.5
123.11707	4.3
127.03936	28.5
127.65479	1.3
133.04977	28.9
135.11713	15.9
137.13280	17.1
139.11118	2.4
145.04967	31.1
145.10158	1.4
149.13298	5.7
150.07668	1.5
151.14873	1.3
160.07610	2.6
163.06032	13.1
169.08714	1.2
175.14775	2.7
177.16402	100.0
178.08556	2.5
193.04959	1.4
195.17462	28.9
199.06087	2.0
206.08167	3.3
217.06947	1.4
223.06044	6.9
241.07054	8.6
259.08163	9.1
277.09091	1.6
295.10306	2.9
309.20663	2.2
506.20279	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.3715
Annotation	2-octadecanoyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
55.05508	0.5
56.05043	1.7
57.03437	0.7
57.07080	2.9
58.06577	1.4
59.07389	0.5
59.19714	0.3
60.08167	17.0
67.05496	0.6
68.97659	0.3
69.07066	0.3
69.85756	1.3
70.06592	0.3
71.07378	6.2
71.08636	1.8
81.07070	0.7
83.08638	0.5
85.10182	1.1
86.09711	51.5
95.08617	1.0
97.10179	0.3
98.98470	4.0
104.10749	100.0
105.11084	0.4
109.10184	0.6
125.00011	30.1
143.01093	0.4
161.05801	0.3
163.01588	0.8
181.02650	0.4
184.07352	99.0
258.11050	1.2
330.97552	0.3
339.50101	0.3
341.30508	1.6
506.36105	8.5
524.37152	26.8
525.37689	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.2629
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.6
55.01873	3.7
55.05521	3.2
57.03440	1.7
57.07054	0.6
59.29512	0.6
62.06055	0.6
67.05512	4.6
67.95203	0.5
69.03415	0.7
69.07066	4.2
69.89301	0.5
70.66589	1.5
71.04980	0.6
77.62919	0.5
79.05505	4.2
81.07068	21.2
82.07360	0.6
83.04982	2.4
83.08627	1.4
85.44070	0.5
91.05482	3.0
93.07065	4.6
95.04964	0.8
95.08614	5.5
95.37036	0.5
97.06554	1.2
101.26804	0.5
105.07063	2.7
107.08600	5.8
109.06535	8.5
109.10150	3.2
111.03718	1.0
111.04458	15.2
111.08073	1.1
119.04958	0.7
119.08594	3.3
121.06554	0.8
121.10155	4.3
121.70935	0.5
123.08064	2.3
123.11710	2.1
125.05263	0.7
125.06024	5.2
131.04927	2.3
131.08565	1.9
133.10136	4.8
135.08072	2.8
135.11707	4.3
137.05994	100.0
137.13283	1.6
143.08578	1.3
145.10141	1.3
147.08058	1.5
147.11705	6.9
149.09628	3.6
149.13312	1.5
151.07584	3.1
151.11238	1.0
155.08685	0.6
157.10172	1.3
159.11699	1.3
161.09636	6.2
161.13278	2.1
163.11211	3.7
163.14828	1.0
165.09177	2.1
167.10680	1.2
171.11691	1.4
173.13287	0.8
175.11186	5.3
175.14867	1.2
177.09229	0.7
177.12805	0.8
179.10695	1.9
181.12311	1.0
187.11417	0.6
189.12790	0.8
191.37257	0.6
193.12299	1.1
198.05365	1.0
203.17995	6.8
213.16370	3.4
216.06410	1.7
221.19043	1.8
223.14880	0.7
231.17442	8.9
241.15771	0.7
249.18538	6.8
266.86844	0.6
277.18021	58.8
278.18430	1.0
295.19058	8.5
318.06531	0.7
320.22223	2.7
351.21695	49.2
383.24319	47.5
384.24677	0.8
431.18344	2.1
474.22015	0.7
492.23730	2.3
524.25403	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3996
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03963	4.0
55.05516	21.2
57.03438	4.5
57.07080	53.6
58.96621	2.3
67.05508	45.0
69.07073	27.5
71.04993	3.3
71.08636	32.9
71.51648	3.3
75.86945	2.6
79.05499	21.4
81.03429	12.8
81.07060	100.0
83.04972	5.3
83.08627	22.6
85.06554	7.0
85.10185	17.9
91.05492	24.0
93.07033	12.6
95.04993	3.6
95.08614	52.0
97.06500	4.2
97.10179	6.0
99.08092	5.3
105.07038	32.3
107.08602	13.9
109.06525	4.1
109.10165	11.7
119.08574	23.4
119.09224	2.3
121.10174	18.1
123.11708	32.8
127.07587	4.9
129.07050	4.4
133.10123	2.3
134.87808	2.5
137.13258	4.3
147.11691	69.1
147.12807	4.5
165.12767	42.1
174.59549	2.1
183.13821	5.9
193.12286	7.7
229.14386	5.9
239.23810	8.2
267.15939	57.2
313.27371	12.7
460.77213	3.2
502.27853	2.4
505.38965	4.7
523.33960	7.0
523.40100	91.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3999
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.1
55.05513	16.0
56.93880	0.9
57.03441	1.8
57.07078	51.2
58.11305	1.0
64.25125	0.9
65.03934	2.9
67.05508	41.4
69.07072	25.2
70.75128	2.0
70.75472	1.5
71.04983	4.1
71.08638	34.6
73.95937	0.8
79.05493	17.8
80.06279	0.9
81.03388	1.3
81.07060	100.0
83.04987	6.8
83.08622	20.6
85.06555	5.6
85.10194	18.1
86.09700	1.1
91.05482	27.3
93.07050	11.9
95.04970	2.1
95.08612	45.8
97.06534	5.3
97.10163	7.9
99.08113	4.3
99.11732	1.2
101.06035	2.0
104.10704	1.2
105.07036	36.6
107.08596	10.9
109.06526	4.1
109.10163	12.2
111.08086	1.3
115.07620	1.1
117.07041	1.4
119.08592	27.8
121.10143	20.7
123.08073	4.7
123.11720	34.6
125.09641	0.9
127.07574	3.9
129.67709	0.9
131.08595	1.5
133.10162	1.1
137.13210	4.3
141.09106	2.1
145.10120	1.9
147.11694	72.4
151.14789	1.2
157.10144	1.3
165.12761	43.6
183.13823	6.0
191.67178	0.9
193.12260	1.9
200.97816	0.9
211.13303	1.2
211.99277	1.1
229.14310	6.7
239.23691	9.5
263.63510	0.9
267.15930	45.2
285.17145	1.9
313.27170	1.1
497.54068	1.1
523.39984	91.5
524.40717	1.4
541.39569	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3997
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	3.2
54.85977	1.6
55.01863	1.6
55.05515	19.0
57.03435	8.0
57.06794	2.5
57.07079	49.1
66.86250	1.3
67.05505	31.1
69.03429	2.8
69.07069	13.1
70.11994	6.6
71.04976	4.9
71.08634	29.8
74.94366	1.3
79.05484	19.7
81.03421	43.7
81.07060	41.3
83.04987	8.7
83.08620	31.3
83.60217	1.3
85.02912	25.6
85.10186	17.7
91.05489	21.8
93.07046	12.9
95.04976	19.8
95.08614	36.0
96.12179	1.6
97.02904	2.0
97.06507	3.1
97.10175	12.3
98.21406	1.8
99.08148	1.5
105.07037	16.8
107.04938	1.8
107.08592	5.5
108.90901	1.3
109.06553	3.2
109.10147	13.8
111.04504	1.5
111.08082	8.7
113.06046	1.4
114.46513	1.3
115.05466	2.1
119.08583	12.9
121.10164	5.5
123.08097	1.8
123.11711	7.7
129.06981	8.6
131.07727	1.4
131.08562	7.7
132.67860	1.4
133.10135	6.1
145.10101	1.9
147.08119	3.6
147.11671	11.6
149.09636	4.1
151.14853	1.7
157.10130	10.8
165.12759	3.2
175.11212	9.9
185.21974	1.7
193.12259	44.8
211.13289	51.0
239.23744	7.1
267.15796	6.9
313.27408	5.0
505.38904	3.9
523.39954	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3997
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.8
53.10532	1.0
54.16182	1.0
55.05516	18.0
57.03446	6.9
57.07079	40.9
59.04995	1.1
65.03951	1.9
67.05505	29.5
67.49591	0.9
69.03435	3.3
69.07078	12.7
71.04991	3.7
71.08633	28.4
71.51468	1.2
79.05495	18.0
81.03423	41.4
81.07063	34.1
83.04997	6.5
83.08156	1.7
83.08627	26.3
85.02921	19.8
85.06560	2.3
85.10187	17.8
91.05485	21.3
93.07052	12.2
95.04975	17.8
95.08614	32.3
97.02884	1.7
97.06547	2.5
97.10177	9.0
99.08121	1.3
99.11736	1.3
103.05484	1.0
105.07031	14.6
107.04969	3.2
107.08605	3.4
107.79340	1.0
109.06512	2.0
109.10157	12.2
111.04485	1.4
111.08062	8.2
113.06014	3.1
117.07037	1.4
119.08581	12.6
121.06573	1.9
121.10136	6.9
123.08041	1.7
123.11730	5.1
125.82693	0.9
129.07037	7.0
131.08572	8.3
133.10150	4.6
137.13309	3.2
142.07822	2.5
147.08090	1.6
147.11676	9.9
149.09639	3.4
157.10147	9.5
165.12794	2.2
175.11206	10.1
193.12247	47.8
197.99127	1.1
207.96994	1.3
211.13307	50.4
218.31427	1.3
239.23676	8.2
262.22031	1.1
267.15958	6.5
289.11838	1.2
313.27454	5.5
329.30502	1.4
430.29117	1.2
505.39661	2.4
523.40015	100.0
524.40643	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3998
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	5.5
54.54851	4.0
55.05514	24.3
57.03421	16.1
57.07079	57.7
59.04976	4.9
63.18649	4.6
67.05508	45.5
68.26274	3.2
69.03399	5.7
69.07054	16.6
69.19556	38.3
71.04986	4.1
71.08634	46.5
79.05501	19.8
81.03427	100.0
81.07056	48.5
83.04973	10.0
83.08629	39.0
85.02882	12.7
85.10194	29.3
89.06036	4.5
91.05498	27.9
93.07033	16.4
95.04971	33.7
95.08606	44.7
97.06558	5.2
97.10156	11.3
105.07016	16.8
107.04999	5.9
107.08600	8.9
109.06494	5.8
109.10133	19.0
111.08082	11.2
117.07038	5.1
119.08603	18.6
121.10137	8.4
123.11733	7.1
128.45595	4.1
129.07008	8.7
131.08559	8.5
133.08594	4.4
147.11755	17.7
147.12724	3.9
149.09654	6.4
157.10181	10.7
175.11191	11.9
193.12259	58.6
211.13258	53.1
239.23744	9.5
249.14819	4.7
267.15948	65.2
313.27319	64.7
330.35455	3.6
385.80634	4.4
406.10022	4.1
505.39035	36.3
514.61932	4.1
523.39923	99.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.4004
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38379	6.1
55.01885	6.7
55.05516	13.6
57.03430	20.6
57.07085	48.0
60.08167	16.1
67.05501	28.6
69.07078	17.1
69.53212	20.5
69.53639	26.5
70.62075	6.0
71.08628	32.1
79.05502	25.1
81.03436	100.0
81.07069	44.9
83.08630	40.9
85.02926	7.4
85.06548	7.9
85.10184	22.2
86.09724	44.7
89.78049	5.8
91.05484	29.8
93.07050	18.8
95.04997	38.1
95.08630	33.7
97.10150	19.3
98.21492	12.1
104.10767	94.4
105.07053	18.7
107.08606	12.1
109.10159	23.3
119.08595	18.2
123.11729	7.4
125.00011	24.4
129.07014	14.7
131.08536	9.2
133.10153	11.4
147.11740	9.4
149.09572	7.0
157.10153	13.9
175.11261	13.0
184.07364	82.2
191.66423	7.1
193.12286	63.0
211.13326	17.9
262.82144	6.7
267.15970	78.6
313.27441	76.2
505.39197	49.9
523.24371	26.4
523.39996	30.1
524.37054	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	523.1428
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.7
55.05506	2.7
62.48193	1.1
65.03935	1.1
67.05508	5.9
69.03422	5.1
69.07056	4.3
70.06592	2.4
71.04990	1.2
71.05538	2.9
79.05502	4.1
81.07054	7.8
83.04965	3.8
84.08131	1.1
85.02905	2.6
85.06542	1.3
86.09706	1.5
91.05479	5.0
93.07050	5.9
95.04956	2.7
95.08608	9.8
97.02914	2.1
97.06525	2.4
99.04454	1.6
103.05480	2.5
105.07034	4.3
107.01037	1.4
107.04935	1.1
107.07995	1.3
107.08607	7.6
109.06511	2.2
109.10146	4.3
111.08089	2.2
117.07019	1.6
119.08591	5.0
121.06506	4.1
121.10158	3.5
123.04464	1.0
123.08053	2.7
123.11716	2.9
129.06978	1.3
131.04950	6.8
131.08553	2.4
133.10130	4.9
135.08037	1.6
135.11723	1.8
137.06006	3.2
137.09636	2.8
139.03767	1.7
140.03441	22.2
141.03819	6.1
143.08565	1.4
145.10118	3.0
147.04378	1.5
147.08025	1.7
147.11707	3.3
151.07510	1.2
153.01576	3.4
157.10059	1.8
157.49934	1.1
159.08102	1.6
161.06056	1.4
161.09579	2.4
163.00052	12.7
163.11258	2.0
163.14807	1.4
165.09116	2.6
171.04118	2.1
171.08090	1.1
173.13303	1.5
175.07721	1.1
185.04233	3.6
201.12975	1.3
203.14311	1.4
205.12273	1.7
207.10028	1.8
241.97560	1.2
275.16336	1.3
278.33731	1.1
285.07327	3.3
299.05484	2.0
299.08896	1.8
403.09821	2.7
441.08008	4.1
459.09320	7.0
473.10577	17.7
479.22772	5.4
481.19202	1.9
491.11639	85.3
492.12137	2.8
505.13272	5.3
505.20337	1.4
520.10168	1.2
523.14227	100.0
523.21356	17.9
524.14661	3.5
529.75714	1.2
534.64368	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3999
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.2
55.01863	2.4
55.05517	18.0
57.03448	7.6
57.07081	44.9
58.25642	0.7
65.03930	1.2
67.05509	31.6
69.03422	2.4
69.07073	11.4
71.05003	3.8
71.08234	1.7
71.08636	33.4
79.05073	1.2
79.05503	14.4
81.03426	43.7
81.07063	36.2
83.04986	7.8
83.08627	28.0
85.02913	22.6
85.06547	1.9
85.10190	15.1
91.05486	20.0
93.07053	12.8
95.04975	17.8
95.08617	28.9
97.02895	1.9
97.06538	2.1
97.10179	7.6
98.20992	5.0
99.08076	1.4
99.11729	1.3
105.07040	15.3
107.04952	2.9
107.08581	4.8
109.06530	3.2
109.10168	13.6
111.04465	1.8
111.08109	7.3
111.11753	1.5
113.06013	2.2
117.07020	1.1
119.08598	13.0
121.10151	6.8
123.08065	1.8
123.11728	5.2
125.13273	1.3
129.07021	7.3
131.08565	8.9
133.06514	2.1
133.10149	6.9
137.13266	2.7
142.07788	1.7
145.10124	1.1
147.08032	1.7
147.11707	9.5
149.09576	3.6
151.14899	1.1
157.10129	9.1
163.11218	0.7
165.12808	2.8
165.16454	0.7
175.11201	10.0
193.12259	49.7
211.13312	54.7
225.29803	0.7
239.23723	9.3
249.14876	1.1
267.15930	6.7
285.17056	0.9
313.27374	6.5
322.81180	0.8
345.78699	0.9
419.89102	0.8
505.38928	2.7
523.39996	100.0
524.40625	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.1431
Annotation	Chrysosplenoside A
Peak:m/z	Relative Intensity
51.15524	0.9
55.05518	1.9
57.07058	0.8
58.96628	0.8
63.15337	0.8
65.96132	0.8
67.05505	2.8
69.03432	2.1
69.07065	2.5
69.57771	5.6
79.05489	2.6
81.03427	2.0
81.07051	5.2
83.04972	2.6
85.02911	1.9
85.06554	2.5
91.05484	2.6
93.07037	3.6
93.54266	0.8
95.04977	2.1
95.08614	6.1
97.02895	1.9
97.06533	1.5
98.20762	1.3
99.04465	1.0
103.05476	1.4
105.07040	3.1
107.08593	3.2
109.02878	1.1
109.06538	1.6
109.10162	3.4
111.08086	1.5
112.22349	0.8
118.95364	0.8
119.04980	0.9
119.08607	3.7
121.06507	1.6
121.10162	3.3
123.08080	1.5
123.11728	2.3
123.34269	0.8
125.09644	0.9
126.46397	0.9
127.03947	1.5
131.04919	3.9
131.08604	1.1
132.05313	0.9
133.10144	2.1
135.08098	0.9
135.11705	1.6
137.05901	1.5
137.09618	1.8
143.08525	1.1
145.10149	1.8
147.11720	1.5
149.09625	1.2
151.07713	1.0
153.01646	1.6
159.11726	0.9
161.09587	1.4
163.00035	13.4
163.11327	1.1
165.09221	1.4
173.13286	1.0
183.11667	0.8
185.04254	5.7
191.10716	1.0
203.06960	1.1
257.19067	1.4
269.94641	0.9
275.20230	1.9
285.07480	2.7
285.40387	0.9
299.09286	0.9
343.07959	1.5
413.08408	1.3
441.08047	5.2
445.11368	1.3
459.09015	1.9
473.10611	17.5
473.17075	1.2
479.15762	1.6
479.22363	1.3
491.11642	39.0
505.13235	5.5
523.14276	100.0
523.21185	4.6
524.14447	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.3559
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	0.3
56.05042	0.6
57.03422	0.1
58.06611	0.2
60.08167	6.1
67.05503	0.2
69.07064	0.4
69.33952	1.2
71.07377	2.8
81.07075	0.3
83.08611	0.3
86.09710	29.1
93.07043	0.2
95.08578	0.2
95.72567	0.1
97.10201	0.2
98.98468	3.2
98.99052	0.3
104.10749	2.5
107.08648	0.2
125.00013	21.5
142.88838	0.1
149.03162	0.1
154.55153	0.1
164.65489	0.1
168.55473	0.1
184.07347	100.0
185.07628	0.2
339.28836	0.3
410.39676	0.2
486.42819	0.1
504.00787	0.2
504.34451	0.8
522.35571	1.6
545.72717	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2914
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.7
55.05507	2.6
57.03446	7.3
61.02942	5.8
67.05506	3.4
69.03429	15.1
69.07060	3.6
70.75500	2.7
71.01364	2.5
71.04995	2.1
73.02924	28.0
79.05500	2.4
81.03419	2.1
81.07059	9.1
85.02913	31.1
87.04484	2.1
91.05486	3.6
93.07062	6.2
95.04980	1.4
95.08606	15.1
97.02898	22.0
99.04449	1.9
99.08099	5.7
100.07642	0.9
103.05471	1.3
105.07021	9.2
107.08619	10.5
109.02887	3.1
109.10137	3.1
113.09651	3.4
115.03942	11.1
117.07038	1.2
119.08598	54.3
121.10157	2.3
123.11713	3.2
127.03937	9.8
131.04935	5.9
131.08592	1.1
133.04982	9.7
133.10144	90.0
134.10530	1.4
135.11711	21.0
137.05952	1.3
137.09602	1.5
145.04961	10.7
145.10146	1.2
146.55299	0.9
147.11690	2.3
150.07620	1.1
163.06042	3.5
173.09546	1.8
173.13319	1.6
175.14839	100.0
193.15901	23.5
211.16946	56.7
216.30481	1.2
223.05879	1.3
241.07040	2.8
259.08105	3.2
315.78860	1.0
325.14456	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	522.292
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25938	3.9
51.77662	4.1
53.03960	6.5
55.05514	17.2
57.07064	4.6
67.05515	30.5
69.03429	14.7
69.07078	31.1
71.05008	23.4
71.51526	4.9
72.08204	4.6
73.32281	4.3
79.05501	19.7
80.82745	4.2
81.03436	12.8
81.07065	53.1
83.04993	4.5
83.08625	17.8
85.02918	42.0
85.06554	64.2
87.00845	11.4
91.05494	19.1
93.07069	28.6
95.04994	8.3
95.08616	100.0
96.08889	5.3
97.02907	17.7
97.06537	66.4
97.10159	6.8
99.04528	5.5
99.08117	5.9
100.11277	14.2
101.06045	6.7
103.05485	28.1
104.07835	4.6
105.01880	9.4
105.07040	22.2
107.08598	36.9
109.02901	7.4
109.06509	4.4
109.10172	32.1
111.04438	5.4
111.08125	10.5
111.11766	4.8
113.02395	4.3
113.09631	4.6
119.08604	29.2
121.06535	8.6
121.10159	49.8
123.11722	19.2
125.09672	7.5
125.79874	4.2
126.59220	4.0
127.03934	22.3
127.11208	75.0
129.07018	4.6
131.04964	61.2
133.10144	24.4
135.08081	4.9
135.11714	18.4
137.06038	7.9
137.09669	6.3
137.13260	12.0
139.11220	12.9
143.08412	4.7
145.05006	6.5
147.08180	5.2
147.11699	20.1
149.13304	5.9
161.13300	14.8
163.14825	15.7
165.12794	5.7
167.08531	6.2
168.17487	8.9
169.17818	7.4
175.14795	4.8
177.16382	9.1
181.15807	4.4
182.15369	5.2
198.02286	7.5
203.17955	40.7
221.19026	38.6
239.20107	44.4
257.21143	7.8
288.07495	4.3
469.09271	5.0
479.22528	12.8
504.39111	5.6
522.20337	10.7
522.41119	45.2
523.21722	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	522.3557
Annotation	2-Oleoyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
55.05496	1.2
56.05034	1.1
57.07067	0.8
58.06592	1.0
60.08166	19.2
61.95774	0.4
67.05494	1.2
69.07057	2.0
70.34476	0.4
70.75951	0.6
70.76304	1.3
71.07372	7.4
81.07046	1.8
83.08623	1.6
86.09709	50.3
95.08609	1.0
97.10141	0.5
98.98482	3.6
104.10746	94.9
105.11074	0.6
111.11693	0.5
121.10101	0.5
125.00008	29.9
163.01601	0.8
171.63026	0.5
184.07344	100.0
185.07544	0.6
258.11011	0.9
339.28934	1.3
355.19943	0.5
504.34488	8.8
522.35577	27.8
523.35645	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.1829
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.7
55.20051	0.4
57.03439	0.5
59.05011	2.3
65.08667	0.4
68.65153	0.4
69.03426	1.1
70.29790	1.0
71.05006	0.6
73.02927	0.5
77.03923	0.8
79.05503	1.0
81.03396	0.4
85.02921	3.0
91.05523	0.5
95.04991	0.9
97.02895	1.7
99.04421	0.6
103.05482	22.1
107.04941	1.3
107.08585	0.4
113.02370	1.5
121.06535	0.4
129.07018	0.4
131.04947	100.0
132.05289	1.0
137.64543	0.4
141.01852	4.0
145.04982	7.3
147.04427	1.8
149.06009	3.5
161.26459	0.4
187.07497	0.7
194.08138	1.2
228.02505	0.4
261.07523	0.8
263.09024	0.6
271.04498	0.5
289.07138	3.0
301.75824	0.4
307.08148	18.3
419.09869	2.4
437.10880	4.4
451.12354	1.1
462.11935	0.4
522.19983	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	0.2
52.59097	0.2
53.47144	0.2
55.01879	0.2
59.04992	0.2
65.02689	1.4
66.03454	0.5
67.05494	0.3
68.99579	0.2
69.03436	0.3
69.07063	0.2
73.02928	0.3
79.04253	0.4
79.05453	0.1
81.07057	0.5
83.04951	0.4
85.02921	0.5
85.06560	0.2
91.05469	0.4
91.83035	0.2
93.07036	0.4
94.02937	0.4
95.03715	1.2
95.05018	0.2
95.08617	0.5
96.04500	0.3
97.02888	0.2
103.05455	0.3
105.02151	0.9
105.07056	0.4
107.08623	0.2
109.06554	0.2
109.10190	0.2
112.03990	0.4
115.03964	0.2
116.50437	0.2
118.75481	0.1
119.08578	0.6
121.06548	0.3
121.10148	0.2
122.01603	0.2
122.02402	2.7
123.03190	4.0
123.08073	0.2
123.11735	0.2
124.03960	0.6
126.01346	0.2
131.04962	0.8
131.08582	0.5
133.06570	0.3
133.10146	0.3
135.08121	0.2
137.05983	0.2
137.13329	0.2
139.03899	0.2
140.03442	100.0
141.03802	0.4
143.08572	0.2
147.08070	0.5
147.11684	0.3
149.09595	0.3
151.07437	0.2
157.06548	0.3
157.10155	0.3
159.08093	0.6
161.06076	0.2
163.07608	0.2
171.11768	0.4
175.07552	1.2
175.14807	0.3
177.09187	0.6
187.07628	0.3
187.11307	0.2
189.12868	0.2
189.91473	0.1
193.08603	1.6
193.15947	0.5
199.11243	0.4
203.17822	0.2
205.08684	0.5
205.12390	0.2
211.16951	0.7
217.12321	0.7
223.09735	0.4
227.10687	0.2
233.11888	0.5
235.09743	0.3
235.13243	0.2
239.20175	0.3
245.11835	0.3
263.12970	0.5
478.23477	0.2
480.18628	1.0
522.19800	26.2
523.20380	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2916
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00076	1.2
55.01865	3.2
55.05511	1.3
57.03440	6.3
61.02945	4.9
67.05508	1.8
69.03439	13.5
69.07064	2.8
69.62419	0.8
70.06573	1.0
71.01358	2.1
71.04990	2.7
71.52145	1.9
73.02926	25.5
79.05503	2.4
81.03416	2.1
81.07072	8.0
83.04973	0.9
83.51964	1.0
85.02912	26.4
87.04411	1.1
91.05473	3.8
93.07060	7.0
95.04991	1.9
95.08609	10.7
97.02901	19.9
99.04476	1.8
99.08112	5.3
103.03901	1.3
103.05476	2.0
105.07044	8.1
107.08611	9.2
109.02869	2.0
109.10152	1.6
111.04469	1.2
113.09639	1.2
115.03932	8.3
119.08592	49.7
121.10145	1.4
123.11694	3.4
127.03936	10.4
131.04945	3.8
133.05000	9.7
133.10144	81.1
135.11697	18.4
145.04965	8.8
147.11665	3.0
158.24240	1.0
163.06032	4.2
175.14844	100.0
193.15895	23.7
211.16942	55.5
223.05975	2.2
241.07129	2.5
259.08170	4.6
265.12488	1.1
277.09256	1.5
295.10382	1.5
325.14249	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.3401
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68439	0.5
55.05504	1.5
56.05029	1.0
57.03436	0.8
57.23656	0.5
58.06591	1.3
60.08167	17.8
63.28227	0.5
64.14983	0.5
67.05505	3.7
69.07068	1.2
70.12852	2.3
71.07375	8.4
74.93643	0.5
75.17687	0.5
79.05491	1.3
81.07042	2.6
82.49002	0.5
86.09706	50.7
93.07023	1.2
95.08602	1.8
98.98476	4.5
104.10745	98.7
109.10151	0.7
115.14442	0.6
125.00008	31.6
184.07343	100.0
258.11014	0.8
337.27393	0.7
502.32742	7.4
520.33984	24.9
520.41791	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83031	0.5
53.03951	1.0
55.01871	0.7
57.03434	1.0
59.75459	0.6
61.02918	0.7
63.59253	0.6
67.05530	0.6
69.03437	2.3
69.07066	1.3
69.40642	4.6
69.40978	0.7
70.06601	0.9
71.04994	0.7
72.08169	0.6
73.02915	1.0
81.03435	1.7
81.07053	1.0
84.08138	1.1
85.02927	3.7
85.06557	0.8
86.09743	1.0
91.05483	1.9
93.07027	1.0
95.04961	1.3
95.08628	0.9
96.08115	0.6
97.02888	1.4
97.06522	1.1
102.04667	0.7
103.05486	52.1
105.07053	1.6
107.04958	1.5
107.08646	0.8
109.10131	0.6
116.34327	0.7
117.07049	0.6
119.04958	2.2
121.02898	0.7
121.10181	0.5
123.11693	0.7
127.03912	1.1
131.04950	100.0
132.05316	1.5
133.06528	0.9
133.10144	0.7
137.05009	1.1
137.05998	11.4
145.05019	0.8
147.04449	6.0
148.04794	2.0
151.03935	1.2
151.07578	0.7
151.11246	0.7
161.05984	2.7
163.07578	27.3
164.21391	0.5
167.07059	0.8
169.12297	0.7
175.07611	1.2
179.07079	2.1
187.07605	1.1
203.03902	0.5
209.15372	1.0
212.16437	0.6
213.16808	1.1
219.08197	1.5
231.17836	0.7
248.08273	0.5
251.10602	0.7
265.08688	0.8
311.12729	1.4
341.14053	1.0
359.20667	1.2
521.19031	0.9
521.26147	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	0.4
52.21147	0.3
53.03942	0.7
55.01870	0.4
56.58269	0.3
57.03446	0.4
57.04658	0.3
59.04996	0.6
67.05513	0.4
69.03408	0.7
71.01350	0.7
71.51656	0.4
73.02900	0.3
76.07610	0.4
77.03919	0.4
79.05487	0.5
81.03438	0.4
81.07050	0.4
85.02925	2.3
86.09679	0.4
91.05487	0.3
95.04991	0.6
97.02887	1.7
103.05472	21.7
105.07008	0.5
107.04958	2.5
107.08594	0.3
113.02361	1.7
119.04945	0.3
126.69592	0.3
127.03948	0.5
131.04933	100.0
132.05267	1.1
137.05992	0.5
141.01830	2.8
145.04933	1.5
147.04422	1.5
148.04820	0.5
149.04938	0.4
149.05994	3.3
151.03990	0.5
163.07520	0.5
175.07526	0.4
175.14815	0.3
181.76820	0.3
194.08168	1.1
203.06935	0.4
222.07503	0.6
255.39674	0.4
261.07568	0.6
263.09225	0.5
271.04514	0.4
289.07166	2.5
295.85251	0.3
307.08121	17.8
391.10345	0.4
419.09805	2.5
437.10715	3.2
522.19641	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82044	1.1
53.03942	3.5
55.05512	8.7
55.41026	1.2
57.06616	1.2
57.07079	1.6
59.04992	1.5
60.79548	1.2
67.05507	7.8
69.03426	6.7
69.07063	7.7
69.53185	7.4
71.04992	27.7
73.02900	1.7
73.06546	3.3
79.05497	11.6
81.03439	3.1
81.07061	24.5
83.04968	1.7
83.08617	5.0
85.02908	10.5
85.06557	2.4
87.00836	4.8
91.05486	11.9
93.07050	25.3
95.04982	3.2
95.08610	37.3
97.02892	5.4
97.06528	5.3
97.10142	2.8
98.20727	1.5
99.04469	2.0
99.08090	3.4
103.05466	5.4
105.01862	5.2
105.06321	1.6
105.07035	33.2
107.08599	25.4
109.02838	1.3
109.06509	2.7
109.10167	20.3
111.05927	1.3
111.11813	1.3
117.07014	2.5
119.08589	10.0
121.10143	15.8
123.11722	6.1
125.09638	24.2
127.03899	7.1
127.07549	1.7
127.11205	2.9
131.04932	15.1
131.08597	6.9
132.05298	2.9
133.09122	2.5
133.10138	51.2
135.11737	2.9
143.10686	30.4
143.11804	1.3
145.04965	2.8
145.10126	7.7
147.11707	16.5
149.13261	29.8
151.11171	4.0
159.02832	1.6
159.11732	9.1
161.13249	4.5
167.14325	100.0
168.14627	1.8
169.12297	2.4
173.13234	1.5
191.14314	1.8
201.16428	11.0
203.17963	3.2
219.17444	35.6
237.18491	5.5
520.19904	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	520.3401
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20698	0.3
55.05514	0.3
55.86849	0.2
56.05029	0.7
58.06608	0.5
60.08168	6.6
67.05491	0.5
70.63560	0.7
71.07367	3.4
73.89861	0.2
75.79653	0.3
81.07069	0.6
83.08632	0.3
86.09710	31.0
95.08600	0.3
98.98474	3.8
104.10745	3.1
121.21997	0.2
124.76416	0.2
125.00011	23.2
163.01534	0.2
184.07347	100.0
185.07655	0.5
197.70866	0.2
275.28592	0.2
372.16669	0.3
502.32565	1.1
520.34332	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2766
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	2.5
57.03431	3.8
57.07063	2.4
59.04993	1.5
61.02924	3.1
67.05513	6.2
69.03431	6.6
69.20815	11.3
71.05005	3.7
73.02926	11.9
79.05491	3.4
81.03433	1.9
81.07071	4.2
85.02921	15.2
85.06564	1.4
87.04457	1.9
91.05496	3.5
93.07048	2.6
95.04981	4.2
95.08617	5.0
97.02899	9.2
97.06534	1.7
98.20825	2.7
99.04434	1.8
105.07064	6.1
107.08614	8.0
109.06534	100.0
109.10175	21.8
115.03940	4.5
117.07028	1.9
119.08591	3.0
121.10161	3.7
123.08079	9.3
127.03958	3.2
131.04959	6.4
131.08595	10.3
132.05290	1.2
133.04993	4.8
133.10153	8.7
135.08073	35.8
145.04971	3.4
145.10136	2.6
147.11682	4.6
149.09668	2.4
149.13354	1.3
153.09132	3.7
158.10983	1.7
163.06036	1.4
163.11221	1.2
173.13306	17.0
191.14336	66.0
201.16461	1.5
209.15398	96.7
219.17574	1.3
223.34425	1.3
256.00439	1.6
259.08194	1.4
493.81384	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2761
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47423	0.5
55.01869	1.7
55.05503	1.0
57.03448	2.3
57.07071	1.2
58.85906	0.5
59.04993	0.6
61.02929	1.3
67.05496	1.9
69.03437	34.8
69.07058	1.9
71.01365	1.1
71.05003	0.9
71.12793	0.7
73.02563	0.7
73.02925	7.9
75.72812	0.4
79.05493	1.3
81.03418	1.4
81.07056	2.8
83.04963	2.7
83.08608	0.6
85.02442	0.7
85.02915	10.8
85.06567	2.3
87.04447	0.8
87.88236	0.4
91.05484	1.9
93.07035	2.3
95.08616	6.0
97.02902	7.1
97.06550	2.4
99.04409	0.6
103.05436	0.7
105.07064	3.0
107.04936	0.5
107.08604	9.2
109.02876	1.0
109.06508	4.2
109.10170	1.9
111.08097	2.2
115.03923	3.0
117.06992	0.8
119.08582	3.1
120.08199	0.5
121.06499	1.7
121.10160	7.1
123.08066	2.2
123.11721	4.8
125.09634	16.2
127.03923	3.1
131.04932	1.1
131.08582	4.0
133.05011	3.0
133.10141	4.3
135.08066	9.2
135.11682	3.5
143.08577	1.0
145.04991	2.7
145.10150	2.9
147.11696	2.2
149.09650	4.4
149.13251	3.0
151.11188	0.8
153.09142	6.7
158.10930	2.0
161.09630	0.6
163.06024	1.1
163.11194	1.6
163.14835	3.7
165.12822	2.6
173.13287	15.3
176.11893	1.0
191.14325	60.5
192.14677	0.8
201.16434	0.5
207.77309	0.5
209.15384	100.0
210.15706	1.4
219.17509	0.8
223.06018	0.6
241.07135	0.8
243.37747	0.5
325.91843	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	2.0
55.05503	1.1
57.03432	2.2
59.23364	1.0
61.02903	1.7
67.05499	4.8
68.47205	1.3
69.03426	7.5
69.07030	1.7
69.45367	7.6
69.45753	1.5
71.04979	3.8
73.02923	9.4
79.05486	3.0
80.06379	1.2
81.07056	3.7
85.02916	10.8
85.06536	2.1
90.85371	1.2
91.05470	3.6
93.07052	1.9
95.04980	3.0
95.08624	5.8
97.02919	7.9
103.03967	1.2
105.07025	3.8
107.08581	6.2
109.06525	100.0
109.10165	20.0
115.03931	3.0
119.08582	2.5
121.06488	1.2
121.10126	4.0
123.08067	8.6
127.03921	3.8
131.08591	10.8
133.04967	2.9
133.06563	1.2
133.10144	5.7
135.08064	33.4
145.04935	2.3
145.10146	3.5
147.11697	2.5
149.09581	3.3
153.09122	3.7
158.10966	2.5
163.14824	1.1
167.45213	1.0
173.13269	15.1
191.14319	64.2
197.72440	1.0
209.15379	79.9
213.95033	1.2
217.98085	1.0
303.88815	1.2
390.48010	1.0
485.62225	1.1
542.86121	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2775
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.7
55.01862	1.3
55.05510	3.4
57.03433	2.5
57.07061	1.3
59.04996	4.5
67.05515	3.5
69.03444	6.1
69.07058	2.7
70.64220	2.1
70.64568	2.3
71.01366	1.4
71.04665	1.3
71.04995	8.2
73.02962	1.1
73.84111	1.1
78.59931	1.0
78.94067	1.0
79.05495	4.2
81.03431	2.5
81.07064	18.5
83.04998	1.4
84.15104	1.2
85.02912	11.0
85.06545	2.1
87.00843	4.9
87.04491	2.4
87.41388	1.2
91.05499	6.5
93.07049	8.1
95.04989	3.2
95.08617	7.5
97.02905	6.0
97.06530	3.4
97.10155	2.8
99.04461	2.1
99.08117	5.4
103.05479	26.9
104.05786	3.6
105.01888	4.7
105.03408	2.1
105.07038	25.0
107.08617	10.5
109.02876	2.8
109.06528	4.5
109.10152	7.2
113.02347	2.2
115.05453	1.8
117.07019	2.1
119.08593	10.6
121.10114	5.9
123.08067	1.8
123.11678	1.9
125.09644	12.6
127.03921	4.4
127.11212	2.0
129.07011	1.4
131.04942	100.0
131.08595	4.5
132.05283	18.8
133.05579	6.7
133.09120	1.9
133.10141	34.8
133.11107	2.4
135.08096	2.8
135.11757	2.4
137.06036	1.2
137.09653	1.4
141.01845	1.7
143.08577	2.3
143.10684	26.8
145.04988	10.3
145.10132	7.7
146.05350	1.8
147.11732	8.7
149.06010	2.4
149.09619	2.0
149.13269	2.8
151.11238	1.8
157.06506	1.7
159.11694	5.3
161.13284	4.3
167.14351	2.3
173.13283	1.4
175.07637	2.3
187.07620	2.8
191.14308	3.5
193.08601	1.2
201.16394	5.1
203.17889	1.5
209.15324	2.2
219.17499	18.2
237.18571	3.9
348.19537	1.1
423.17203	1.5
520.19373	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2397
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	4.1
55.05513	3.8
67.05515	13.2
69.03438	8.2
69.07075	5.5
69.53789	15.2
73.02908	12.1
79.05498	9.9
81.07066	43.3
83.04969	2.9
83.08620	3.0
85.02915	10.6
91.05487	19.9
93.07049	19.1
95.04988	5.6
95.08609	19.1
97.02910	4.1
97.06518	3.7
97.10197	3.5
101.21447	2.5
103.05474	13.7
105.07046	33.5
107.04980	2.9
107.08611	19.1
109.06516	3.7
109.10169	9.0
111.04466	3.9
113.02360	4.3
115.03922	5.4
117.07018	12.5
119.08592	37.6
121.06477	3.7
121.10162	6.8
123.11732	23.6
125.06007	9.6
129.06993	4.0
131.04950	43.0
131.08577	32.6
132.05305	7.4
133.10176	18.7
135.08040	4.0
135.11694	4.8
137.06029	6.3
139.07542	3.1
143.08604	4.0
145.05037	2.4
145.06462	4.6
145.10146	31.2
147.11713	51.6
149.06001	6.7
155.08542	4.7
157.10144	10.7
158.10942	6.3
159.08076	5.2
159.11761	16.8
161.13275	17.4
163.07538	5.2
165.12770	6.6
168.09267	2.6
171.11665	4.1
173.13284	72.7
177.09128	2.4
183.11714	9.0
189.12770	10.9
191.14311	9.5
201.12755	45.7
207.13792	13.3
209.15407	2.6
219.13826	100.0
237.14888	55.4
269.24847	2.4
301.33063	2.3
305.06543	2.4
311.14899	19.0
323.14923	51.3
341.15887	4.1
520.20996	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	519.4053
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	5.8
55.01876	5.2
55.05516	64.9
57.03446	4.4
57.07075	9.8
65.03933	6.4
66.60712	2.7
67.05508	87.6
69.07074	51.0
71.04989	4.7
71.08655	5.5
79.05496	53.9
81.07064	100.0
83.04993	6.8
83.08627	49.6
84.85651	3.0
85.06559	7.2
91.05482	32.6
93.07056	70.8
95.08614	61.4
97.06546	15.2
97.10166	7.6
98.20766	9.5
98.21474	10.5
99.08107	4.0
105.07011	16.6
107.08597	36.7
109.10152	23.5
111.08083	12.2
117.07023	4.6
119.08586	17.4
121.10149	38.2
123.11742	16.1
125.09695	4.3
125.13222	3.8
129.07072	3.7
130.81001	2.9
131.08607	16.6
133.10162	16.3
135.11699	16.3
137.13263	4.3
145.10120	9.7
147.11729	12.0
149.13277	40.3
159.11713	10.5
161.13327	8.5
163.11281	3.8
163.14822	4.7
167.14359	22.0
171.11743	3.6
173.13315	8.0
175.14815	3.4
185.13298	3.9
187.14896	3.4
241.17979	21.1
243.21106	4.9
261.22195	14.3
263.23785	6.8
427.35599	8.7
440.29233	6.7
445.36972	4.9
501.39319	9.7
519.40662	79.3
520.35132	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	520.204
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02361	0.3
53.03957	0.3
55.42404	0.3
56.96560	1.8
57.03440	1.0
59.05006	0.5
61.02936	0.6
69.03430	1.9
69.76376	1.6
70.06611	0.4
71.01356	1.5
71.04999	0.6
72.08160	0.9
73.02924	0.7
79.05485	0.9
81.03419	0.9
83.01318	0.3
84.96030	1.1
85.02909	4.7
86.06065	0.4
87.04479	1.2
91.05486	0.9
93.07053	1.3
95.04984	0.4
97.02900	2.2
98.97591	3.4
99.04448	0.7
103.05476	7.0
107.04961	1.1
110.97568	1.8
112.99119	0.4
113.02337	0.6
116.98646	0.9
119.04986	0.5
120.08109	100.0
121.08469	1.6
124.07594	0.4
127.03946	1.0
128.98593	1.5
129.01851	0.7
131.04907	2.7
136.06192	4.3
140.07085	1.1
144.98080	0.5
145.04973	1.4
147.04399	1.1
149.05988	1.7
156.98109	0.5
158.99651	0.7
163.04088	0.3
166.08647	49.8
167.06934	0.4
167.08925	1.0
167.10344	0.3
170.99719	0.4
174.99115	0.6
175.04506	0.3
177.00739	0.6
186.99165	0.4
187.02815	0.4
189.00739	0.3
195.94368	0.3
201.00816	0.4
214.98607	0.5
217.03859	0.4
219.01814	1.3
232.99651	0.5
237.02896	1.2
324.04428	0.5
340.04877	0.3
342.05414	0.4
342.55301	0.5
345.01239	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.4211
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42526	6.7
55.05500	7.7
66.73513	6.7
67.05496	25.8
67.87894	5.8
69.07067	29.5
71.52063	9.7
78.20079	6.8
78.53532	7.2
79.05470	13.6
81.07069	50.0
91.05454	12.4
93.07041	25.5
95.08615	100.0
97.10201	6.5
100.87244	6.5
105.07062	9.3
107.08601	39.3
109.10172	72.3
111.11737	16.5
119.08585	10.0
121.10167	61.8
123.11728	31.0
133.10161	14.0
135.11699	25.3
137.13263	16.0
145.10167	9.1
147.11714	14.0
149.13229	18.4
161.13326	8.9
163.14838	14.8
175.14861	17.4
177.16383	13.7
189.16435	21.6
191.17940	12.6
201.52852	7.2
203.18068	7.4
205.19531	54.6
219.17361	12.3
245.22736	24.8
395.36707	14.6
405.35165	15.6
423.36279	49.7
476.44308	8.0
483.38321	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	519.4053
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46661	0.5
53.03959	2.7
55.01885	1.1
55.05519	19.6
57.03456	2.6
57.07082	4.0
59.05004	0.8
65.03954	2.8
67.05514	79.8
68.05836	0.5
69.03455	0.6
69.07078	25.7
69.27273	0.5
71.05003	5.1
71.08640	1.5
71.12289	0.7
71.12622	0.8
73.04770	2.1
79.05504	25.8
81.07069	100.0
81.15096	0.5
83.04997	2.7
83.08632	10.7
83.71614	0.5
85.06555	12.0
85.10207	0.8
90.65768	0.5
91.05479	17.4
93.07056	28.0
95.04997	2.7
95.08620	87.1
97.06541	5.4
97.10182	4.7
99.08131	2.5
101.06062	0.5
105.07045	16.6
107.08610	13.9
107.09310	0.9
109.06570	1.0
109.10170	16.4
111.08081	2.5
111.11784	1.2
114.07416	0.7
117.07039	2.6
119.08598	13.5
121.10167	15.7
123.08110	1.6
123.11725	11.1
125.09651	0.9
129.07005	1.0
131.08588	4.7
133.10165	7.9
135.08134	0.7
135.11716	7.4
137.09666	0.8
137.13278	5.1
143.08636	1.0
145.10139	4.5
147.11707	14.3
147.12796	1.0
149.04567	0.6
149.09671	0.7
149.13271	4.5
151.11269	0.6
151.14836	1.6
153.12813	1.4
157.10136	0.9
159.11746	2.8
161.13229	4.3
163.11195	0.7
163.14827	3.0
165.12791	6.9
167.05591	1.6
167.14323	2.0
169.25737	0.6
171.11737	1.9
173.13303	1.7
175.14903	3.3
177.16451	1.3
183.13841	2.9
185.13332	1.1
187.14844	1.1
189.16428	1.5
199.14911	0.7
201.14919	2.3
201.16565	0.8
203.18121	0.8
207.17476	0.6
225.04289	0.7
241.18004	1.2
245.22661	1.6
257.17480	1.3
261.22253	1.2
263.19858	0.6
263.23773	4.3
282.13333	0.6
295.83868	0.8
299.06317	2.1
315.23236	0.6
315.26944	1.0
319.26443	1.4
344.97461	0.6
381.26337	0.7
393.30090	0.8
409.34735	1.7
427.35730	7.1
445.36948	4.0
463.37787	2.2
483.38547	0.7
501.39438	9.4
519.40540	92.4
520.40894	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.3247
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.2
56.05038	0.6
57.03452	0.2
58.06638	0.5
59.07385	0.1
60.08168	7.0
67.05510	0.8
69.07084	0.1
70.13375	0.3
71.06982	0.2
71.07377	3.4
72.60484	0.1
79.05492	0.4
80.97425	0.1
81.07050	0.4
86.09711	34.5
87.10041	0.2
91.05484	0.2
91.15257	0.1
93.07040	0.3
95.08621	0.2
98.21523	0.1
98.98473	3.8
98.99130	0.2
104.10753	3.2
107.08606	0.1
125.00012	24.1
178.15260	0.1
184.07352	100.0
185.07668	0.5
258.11105	0.3
300.93250	0.1
489.48416	0.1
500.31451	0.8
518.32532	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.3242
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71812	0.2
55.05504	1.1
56.05046	1.4
57.03443	0.5
58.06586	1.5
60.08169	16.9
65.03959	0.2
66.17123	0.2
67.05505	2.4
69.07069	0.8
69.77486	0.4
69.77900	0.9
70.06596	0.3
71.07378	7.3
77.35351	0.2
79.05505	2.1
81.07070	2.1
86.09711	52.6
87.10020	0.3
87.64379	0.2
91.05472	0.9
93.07043	2.0
95.08617	1.2
98.98464	5.0
104.10751	100.0
105.06982	0.2
105.11057	0.4
107.08604	0.7
109.10139	0.3
119.08601	0.3
121.10163	0.4
124.73531	0.3
125.00012	32.5
131.08592	0.2
135.11725	0.3
163.01563	0.6
184.07353	97.0
185.07704	0.4
258.11038	1.1
335.25818	0.9
441.23938	0.5
500.31360	7.5
518.32477	21.2
519.32593	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.2604
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62185	1.7
53.03948	4.4
55.01864	7.5
55.05510	2.7
57.03437	17.3
59.04998	5.7
61.02940	11.9
66.80103	1.7
67.05499	7.5
69.03435	34.1
69.07074	4.3
69.33157	9.0
69.33572	5.7
70.06594	2.7
71.01359	5.1
71.04995	4.9
73.02920	55.5
79.05488	6.6
81.03428	19.6
81.07069	9.0
83.04967	3.4
84.84460	1.6
85.02912	72.5
87.00847	2.7
87.04455	4.1
91.03957	2.4
91.05491	6.0
93.07060	4.6
95.04967	35.0
95.08601	4.8
97.02892	52.4
97.06564	2.5
99.04458	5.3
101.02361	1.9
103.03966	7.5
103.05473	31.8
104.05805	2.6
105.01873	8.0
105.07056	9.9
106.02966	2.5
107.08601	6.7
109.02895	10.9
109.06521	78.6
109.10155	3.7
111.04440	2.0
113.02406	3.2
115.03938	23.1
119.08591	10.8
121.06512	2.2
121.10154	19.6
123.08114	2.3
124.03983	2.4
125.05982	3.4
126.42744	1.7
127.03917	31.6
129.07043	3.1
131.04932	100.0
131.08615	2.9
132.05272	10.6
133.04961	22.6
133.10115	8.3
137.05975	2.5
137.09599	2.0
139.07588	3.2
139.11195	2.8
143.08615	3.2
145.04959	42.9
145.10120	5.1
147.08028	3.0
147.11758	4.1
149.05989	2.4
150.07651	4.0
151.07552	4.0
159.02905	2.1
159.11722	4.0
161.09726	2.9
161.13255	3.0
163.06039	7.0
167.08485	1.7
171.11639	2.3
179.10709	4.8
189.12758	45.6
189.16373	6.9
193.05022	1.8
199.06067	2.4
199.14738	1.8
207.13814	21.0
217.15881	7.9
219.13939	2.6
223.06050	8.0
229.06213	3.2
235.16980	9.7
241.07100	4.9
257.05521	2.4
259.08066	7.7
303.15982	2.7
307.08273	3.3
321.09726	6.0
321.17072	2.2
339.18057	4.9
372.26422	2.0
465.21152	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	518.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69723	0.3
51.02385	0.4
51.15444	0.4
53.03937	0.7
53.14905	0.4
55.01868	0.7
57.03440	0.5
59.05008	3.3
69.03427	0.8
69.86588	2.0
71.01023	0.4
71.01369	2.6
71.04994	1.2
77.03909	0.7
81.03439	0.5
85.02907	4.0
87.04465	0.9
91.05503	0.5
92.64968	0.3
95.01283	0.3
95.04977	0.8
97.02911	2.2
98.21446	0.5
99.04475	0.7
103.05476	23.6
105.03403	0.8
111.04473	0.4
113.02364	2.6
117.07055	0.4
127.03931	1.0
129.07010	0.7
131.04939	100.0
132.05270	1.2
141.01877	2.5
145.04967	10.8
149.06013	1.3
151.03947	0.5
155.03386	1.8
159.08018	0.6
163.03906	1.0
169.06483	0.7
187.07568	1.1
197.06055	0.7
247.09822	0.6
261.07230	0.4
271.04556	0.6
275.09125	0.4
289.07025	1.2
303.08649	0.5
307.08179	6.9
321.09689	3.1
419.09720	1.0
433.11392	1.1
437.10852	0.5
451.12350	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02400	0.5
53.03947	0.8
55.01873	1.0
57.03429	0.5
59.05001	0.8
64.92016	0.2
69.03426	0.8
70.55193	0.4
70.55576	0.4
71.01358	1.1
71.04995	0.9
73.02905	0.2
77.03924	0.5
79.05437	0.2
81.03432	0.4
85.02916	1.8
87.04478	0.3
95.01376	0.4
95.04967	0.9
97.02905	1.2
97.06572	0.3
99.04474	0.7
102.04749	0.2
103.05474	28.8
104.05816	0.4
105.03448	0.3
105.04519	0.4
105.07038	0.5
107.21804	0.2
109.02898	0.3
111.00769	0.3
111.04452	0.4
113.02372	1.5
117.07085	0.2
119.08630	0.2
121.10168	0.3
123.00803	0.7
125.02360	0.2
127.03894	1.2
129.07042	0.4
131.04938	100.0
132.05258	1.5
133.10132	0.3
141.01831	1.5
141.07024	0.3
145.04973	3.2
149.05983	1.6
153.06996	0.2
155.03439	1.1
159.11720	0.3
162.21912	0.2
169.06404	0.2
173.04411	0.3
173.06110	0.2
185.06032	0.3
187.07576	0.3
189.12978	0.2
197.06064	0.4
213.05524	0.3
217.15915	0.4
243.06807	0.3
253.03604	0.4
253.06142	0.2
261.07880	0.3
271.06259	0.4
289.07062	0.8
303.08655	0.9
307.08194	0.4
321.09698	6.0
401.08752	0.4
419.09589	0.9
433.11469	1.2
451.12262	0.5
465.13443	0.3
511.44022	0.2
518.18835	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.2603
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03963	2.3
55.05510	8.6
57.72804	1.9
57.88569	2.0
67.05503	6.0
69.07079	10.2
71.40454	4.2
78.73438	1.8
79.05494	9.5
81.03438	2.6
81.07077	9.2
83.08645	12.6
84.08149	2.2
85.02917	6.3
91.03981	1.8
91.05470	10.6
93.07056	20.0
95.04984	3.9
95.08614	8.1
105.07035	12.9
107.08598	33.0
109.02852	2.5
109.10159	19.8
111.08070	2.5
111.11732	4.1
113.06012	7.4
119.08622	10.4
121.06532	3.0
121.10172	4.0
123.11719	5.0
127.03937	2.1
127.11204	12.3
131.04970	5.5
131.08580	2.8
133.10127	10.8
135.08015	3.1
135.11714	25.2
135.40640	1.8
137.09656	1.9
141.09132	3.5
141.41522	2.1
143.08644	2.6
145.10153	2.3
147.11729	4.4
149.09712	2.7
151.07570	2.4
151.11201	6.2
153.09094	3.9
159.11798	2.3
161.09581	2.7
161.13271	4.4
163.11188	3.4
165.09152	8.7
167.10750	4.2
175.11093	2.3
175.14775	2.2
177.12833	3.7
179.10672	21.6
189.12781	3.3
193.12190	3.6
195.65392	2.7
203.86208	1.8
207.13789	2.6
217.15875	8.9
229.06094	5.5
235.16953	100.0
253.17999	12.4
257.05554	3.1
370.13931	3.2
378.08655	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	0.6
53.03941	0.9
53.83510	0.3
55.01871	0.6
57.03424	0.7
59.04992	1.1
66.10446	0.3
68.42034	0.3
69.03433	0.4
69.57035	2.3
71.01363	2.5
71.04991	1.0
81.03400	0.3
82.63508	0.3
85.02899	2.3
87.04483	0.6
95.04958	0.3
97.02886	1.0
98.20807	0.7
99.04464	0.8
102.04689	0.4
103.05476	28.2
104.05819	0.9
105.07045	0.3
113.02348	2.3
123.00820	0.6
127.03913	0.8
131.04938	100.0
132.05267	1.6
141.01816	1.6
145.04977	5.0
149.06021	1.2
155.03427	1.4
159.11748	0.4
163.03934	1.4
187.07480	0.4
197.06010	0.4
200.06281	0.3
232.98051	0.3
252.11963	0.3
261.07709	0.4
289.07150	1.2
303.08673	0.9
307.08102	3.2
321.09741	4.5
419.09964	0.9
433.11453	0.9
509.88135	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3894
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.7
54.86341	1.3
55.05521	11.7
57.03429	5.4
57.07073	2.4
57.46177	1.4
63.99817	1.1
67.05506	26.8
69.07072	14.9
69.52605	1.2
71.04991	1.9
71.52193	2.2
79.05499	17.3
81.07057	32.2
83.04989	2.7
83.08621	7.4
85.06537	2.1
91.05485	21.5
93.07043	27.4
95.05007	1.4
95.08617	28.7
97.06544	2.7
97.10199	4.5
105.07044	21.3
107.08607	20.4
109.06515	1.9
109.10142	9.4
113.00049	2.0
116.93628	1.1
117.06998	9.5
119.08591	22.6
121.10149	16.4
125.42507	1.4
129.07047	3.6
131.08578	15.4
133.10139	21.4
135.11702	9.3
137.13251	1.3
143.08569	6.9
145.10139	17.5
147.11684	13.9
149.09587	1.2
149.13278	6.0
155.08635	2.9
156.65498	1.3
157.10170	4.3
159.11699	10.4
161.13303	5.3
163.14818	2.2
169.10168	2.2
169.63683	1.3
171.10408	1.8
171.11674	6.2
173.13268	10.8
175.14850	4.5
183.11745	2.7
185.13300	4.8
187.14879	5.1
189.16377	2.7
197.13329	2.4
199.14844	2.4
201.16368	1.5
211.14874	1.7
225.16422	2.0
241.17931	2.9
245.87463	1.5
259.20425	3.0
269.22705	1.7
272.93872	1.3
273.22165	1.9
287.23700	1.9
291.41492	1.5
301.25510	1.5
313.25354	2.9
333.24203	3.0
337.25284	1.7
375.29034	1.5
405.30206	1.8
407.33121	4.0
425.34308	12.4
443.35431	5.7
463.35913	1.6
499.37997	19.6
517.38947	100.0
518.39099	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	517.3893
Annotation	Wilforic acid D
Peak:m/z	Relative Intensity
53.03931	1.3
55.05521	11.3
57.03443	3.1
57.07072	2.3
59.92813	1.3
67.05188	2.1
67.05513	29.8
69.07078	13.4
71.51811	1.5
71.52197	1.5
79.05501	23.3
81.07064	35.0
83.08640	8.5
85.06541	2.0
91.05486	22.5
93.07050	29.2
95.04998	2.2
95.08612	25.1
97.06587	2.1
97.10197	5.4
105.07037	24.7
107.08607	20.3
109.06528	3.1
109.10178	14.4
111.08117	2.7
117.07024	9.5
119.08594	24.3
121.10159	14.9
123.11713	3.4
125.09646	2.7
129.07019	5.2
131.08575	15.5
131.74271	1.3
133.10153	20.5
135.07986	1.9
135.11713	10.4
137.09662	1.9
143.08571	5.4
145.10138	16.3
147.11697	14.8
149.13235	7.7
155.08597	3.0
157.10077	6.4
157.66768	1.4
159.11728	13.8
161.13326	7.3
163.03847	1.8
163.11194	2.2
163.14799	2.8
169.10193	3.2
171.11734	5.0
173.13255	8.5
175.14857	4.8
183.11719	1.8
185.13292	5.8
187.14877	4.7
189.16504	1.7
197.13300	1.7
199.14879	2.5
201.16475	2.7
211.14874	2.9
213.16521	2.1
215.17957	1.4
227.18118	1.7
241.17749	2.6
247.50447	1.5
259.20660	3.7
261.06909	1.4
261.22150	2.0
273.22208	1.5
280.03595	1.3
281.20953	1.3
287.23718	1.6
299.23871	1.8
313.25229	2.5
317.24768	1.3
327.26749	1.5
333.24283	2.1
387.28976	1.6
405.30103	2.9
407.33243	2.8
425.34174	17.6
443.35272	5.5
461.36179	1.4
481.36722	1.5
499.37842	17.5
517.38934	100.0
518.39026	2.8
521.94403	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3894
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.2
54.17286	0.7
55.01869	2.0
55.05268	1.3
55.05516	15.9
57.03439	5.3
57.07084	2.5
57.70597	0.7
65.03943	1.4
67.05510	33.1
69.07069	14.4
71.05002	2.0
71.16860	1.1
71.17183	1.7
77.38860	0.8
79.05499	25.7
81.07064	37.0
83.04985	1.2
83.08624	9.0
85.06554	1.8
91.05488	23.4
93.07048	31.5
95.04983	2.4
95.08609	29.7
97.06538	3.0
97.10200	4.0
99.08103	1.0
105.04539	1.2
105.06319	1.1
105.07034	23.7
107.08601	21.3
109.06514	1.2
109.10158	13.4
111.08118	2.0
111.11713	0.9
113.00028	1.9
115.05499	0.8
117.07005	8.5
119.08588	24.0
121.10146	17.6
123.08083	1.5
123.11716	3.5
125.09641	1.3
128.06198	1.4
129.07021	4.4
131.08565	16.5
133.10136	18.1
133.11102	1.2
135.08122	1.8
135.11703	9.8
137.09666	1.2
137.13290	1.0
139.11243	1.2
139.78004	0.7
141.06946	0.9
142.07794	0.9
143.08557	5.9
145.10135	18.1
147.11690	12.7
149.09596	1.0
149.13277	6.4
155.08591	2.0
157.10126	6.4
159.11717	12.0
161.13260	8.1
163.11250	0.8
163.13591	0.7
163.14804	3.7
169.10175	2.5
171.11703	5.0
173.13269	10.4
175.14844	4.9
177.12816	1.6
177.16479	1.2
179.14253	1.0
183.11742	3.0
185.13242	5.2
187.14806	5.7
189.16440	2.0
191.14336	0.9
197.13297	2.2
199.14876	4.9
201.16408	3.4
203.18053	1.3
205.15945	0.8
211.14862	1.7
213.14735	1.0
213.16498	2.7
215.18082	1.1
219.17502	1.3
225.16429	2.1
227.18120	1.2
227.71283	0.8
229.19597	0.8
233.19133	1.0
241.18027	2.9
245.19043	1.3
259.20673	2.9
271.20654	1.3
273.22241	1.0
285.21982	0.9
287.23709	1.7
289.21881	0.8
291.23267	1.5
299.23935	2.2
301.21698	0.8
301.25168	1.5
313.25269	2.6
317.24820	0.9
325.25357	1.4
327.26938	2.0
331.26358	3.1
331.99728	0.9
333.24301	1.8
335.25879	0.9
361.27280	1.9
387.29398	0.9
405.30222	2.8
407.28271	1.2
407.33011	3.9
424.14319	0.8
425.34216	13.6
426.34827	1.1
443.35315	6.4
447.31155	1.1
459.34702	1.4
461.36368	1.0
463.36435	0.9
481.36990	1.0
499.30371	1.3
499.37811	18.9
517.38934	100.0
518.39520	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	517.3891
Annotation	Wilforic acid D
Peak:m/z	Relative Intensity
50.31454	0.7
52.72239	0.8
53.03942	2.7
55.01878	1.4
55.05270	1.1
55.05516	13.5
56.81968	0.7
57.03438	5.2
57.07077	3.0
63.85759	0.7
64.29543	0.8
65.03938	1.9
67.05510	30.6
69.07072	15.4
69.65281	4.7
71.04990	1.7
71.08638	1.6
73.06572	0.7
76.48943	0.8
77.03886	0.7
79.05497	23.5
81.07059	35.0
83.04982	1.6
83.08624	8.6
85.06540	2.5
90.46085	0.7
91.05484	20.3
93.07045	29.5
95.04991	1.6
95.08613	29.5
97.06552	3.5
97.10176	3.4
99.08108	1.2
103.05460	0.9
105.07032	23.3
107.08598	22.1
109.06566	2.0
109.10156	13.2
111.08100	2.1
113.00037	5.1
117.07019	9.3
119.08591	23.8
121.06493	0.9
121.10152	17.0
123.08103	2.3
123.11703	4.2
125.09660	1.0
128.06216	1.0
129.07021	3.6
131.08571	17.3
133.10139	20.5
135.08078	1.7
135.11685	9.2
137.09674	1.2
137.13266	1.2
139.11186	1.4
143.08574	8.4
145.10123	16.9
147.11687	13.7
149.13240	6.7
155.08589	2.2
157.10103	5.5
159.11705	12.2
161.13254	8.5
163.11212	0.8
163.14854	3.5
167.14436	0.8
168.49307	0.9
169.10231	2.1
171.11681	6.7
171.12846	0.7
173.13280	8.1
175.14795	5.8
177.16336	1.2
179.14352	2.5
181.10278	0.9
183.11754	2.9
185.11844	0.9
185.13213	4.6
187.14867	4.0
189.16412	2.3
195.11746	0.9
197.13396	1.4
199.14870	2.9
201.16397	3.6
203.18030	1.2
205.16071	1.2
211.14883	1.5
213.16425	2.5
219.17548	1.4
225.16394	1.3
227.18158	1.0
233.19197	1.3
241.17973	2.6
241.19972	1.2
243.17468	1.4
259.20660	3.9
271.20496	0.9
273.22247	1.8
279.19711	0.9
280.28925	0.8
281.21262	0.9
285.22192	1.7
287.20300	1.4
287.23715	2.4
289.21716	2.0
291.23083	0.9
299.23639	2.7
301.25162	1.2
303.23157	1.1
313.25381	3.1
315.23300	2.0
317.24799	1.6
327.26816	1.1
331.26315	3.7
333.24295	2.5
369.27640	1.1
375.29227	1.0
387.29047	1.4
391.28696	1.2
405.29816	4.8
407.28235	1.0
407.32977	4.2
419.31876	1.2
425.34186	13.4
443.35403	5.6
446.78799	0.8
481.36743	1.3
499.37854	19.8
500.38150	0.9
517.38928	100.0
518.39246	3.3
532.50421	0.9
537.42029	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3894
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	4.1
54.04682	0.8
55.01861	1.0
55.05276	1.0
55.05518	18.4
57.03442	4.6
57.07064	3.5
65.03938	2.6
67.05515	57.5
69.03421	1.3
69.07079	21.0
70.90903	1.1
70.91254	1.7
71.05000	5.4
72.55581	0.8
77.03920	1.4
79.05501	36.7
81.03410	1.4
81.07064	69.3
83.04982	1.8
83.08631	9.5
85.06554	10.1
91.05491	25.7
91.91995	0.8
93.07056	39.5
95.04968	3.5
95.08617	65.6
97.06543	5.3
97.10178	2.8
99.08102	2.3
103.05447	1.0
105.07042	24.9
107.08602	19.9
109.06516	1.1
109.10165	10.8
111.08088	1.7
116.10101	0.7
117.07017	7.8
119.08594	27.3
119.65686	0.7
121.10153	19.4
122.61488	0.8
123.08035	0.8
123.11726	5.6
129.07031	3.1
131.08580	16.1
133.10150	15.0
133.38979	0.8
135.11708	11.8
137.09569	1.4
137.13260	3.0
139.11133	0.9
141.06996	1.1
143.08583	3.3
145.10135	14.4
147.10545	1.0
147.11702	19.5
149.13274	7.3
155.08554	1.9
157.10167	4.2
159.11726	9.8
161.13301	5.9
163.11221	0.8
163.14825	2.5
165.12808	5.5
167.14294	1.4
169.10182	1.4
171.11659	4.7
173.13287	7.8
175.14919	2.3
177.12801	0.9
183.11769	1.5
183.13840	2.2
185.13292	2.9
187.14777	4.9
197.13335	1.7
199.14870	2.7
201.16449	1.6
213.16556	1.8
219.17601	0.7
225.16440	0.8
245.19078	1.0
253.19632	1.0
255.21080	0.9
259.20697	1.9
261.22150	6.2
273.22275	1.4
287.23758	1.7
299.23706	1.7
301.25287	1.0
313.25354	1.1
317.24777	2.3
407.33237	6.9
419.31558	1.2
425.34100	11.1
443.35083	4.1
461.35992	2.3
499.37906	8.0
517.38940	100.0
518.39246	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	516.2306
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.3
55.01843	0.6
57.03418	1.1
61.02912	1.0
67.81889	0.3
67.84742	0.3
69.03439	3.3
69.06738	0.3
69.07072	4.3
69.46404	2.0
70.06599	0.3
71.04969	0.5
72.08146	0.3
73.02898	1.1
81.03423	1.5
85.02459	0.4
85.02913	6.1
86.09732	0.3
87.04471	0.9
87.08094	0.4
91.03954	0.5
97.02902	3.1
99.04435	0.7
109.02876	0.9
109.10115	0.5
119.03530	0.6
121.10105	0.3
127.03919	1.0
136.06195	29.7
137.04572	1.4
145.04936	0.8
147.04364	0.3
148.06177	15.7
155.05658	0.8
163.07523	0.4
166.07204	0.3
167.68864	0.3
187.13226	0.7
193.04999	1.5
204.12454	7.4
204.14310	0.5
210.83708	0.2
222.13512	100.0
223.13921	0.6
264.14581	0.9
280.29391	0.3
282.48260	0.3
328.13376	0.3
354.17758	3.7
384.18796	45.5
385.18796	0.4
516.23022	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	516.2449
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	3.3
55.01865	2.7
55.05505	3.9
56.95914	2.2
67.05492	8.1
69.03428	9.5
69.07081	4.3
79.05494	10.2
81.03410	8.9
81.07070	37.9
85.02923	20.6
86.09682	2.4
87.00821	7.4
91.05497	27.1
93.07049	32.1
95.04984	3.6
95.08619	36.1
97.02918	14.2
98.20798	5.7
99.04465	3.9
103.05470	13.5
105.01888	8.9
105.07048	39.5
107.08598	18.1
109.02864	7.4
109.10135	12.1
111.08083	2.8
117.07010	11.0
119.08580	22.1
121.06504	4.8
121.10144	11.7
125.06024	3.7
127.03942	13.4
129.01889	2.6
129.06955	3.3
131.04936	34.1
131.08580	38.6
133.10141	10.7
137.05971	5.0
137.09555	2.3
139.07523	8.6
143.08598	4.8
145.04939	6.9
145.06485	4.5
145.10132	37.7
147.11713	7.9
151.07582	5.6
155.08519	4.2
157.10182	4.9
159.08084	4.4
159.11714	28.7
161.13263	20.9
163.07549	5.2
173.09579	4.6
177.09131	9.2
187.14839	83.8
188.15298	2.9
191.10703	3.6
197.13235	9.4
205.15874	6.9
215.14331	42.0
231.05144	3.1
233.15390	100.0
313.16290	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3222
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	13.0
55.05502	23.3
57.03423	7.1
57.07077	7.1
67.05182	8.5
67.05509	100.0
69.03419	18.0
69.07081	32.5
71.04968	8.2
71.12071	16.0
71.73621	6.2
79.05506	72.3
81.03423	11.8
81.07064	95.3
83.04919	8.2
83.08614	10.7
85.02897	8.8
85.08487	7.5
91.05502	53.5
93.07048	82.9
95.04979	15.4
95.08615	87.8
97.02880	8.9
97.06506	10.2
105.07031	43.7
107.08600	50.2
109.06525	7.1
109.10150	27.1
114.35030	7.6
115.05347	7.7
117.07008	24.6
119.08575	30.6
121.06519	8.8
121.10133	41.9
123.05554	30.1
123.08051	7.6
123.11720	15.8
125.09622	7.9
129.07013	8.8
131.08601	34.9
133.06465	9.6
133.10126	35.0
135.08009	9.6
135.11679	29.4
143.08624	9.0
145.10127	32.2
147.11681	20.1
149.13269	20.7
157.10126	10.9
159.11681	20.7
161.13261	20.0
163.14804	12.3
169.10046	12.1
173.13284	19.7
175.14821	8.1
177.12712	9.3
183.11636	7.8
187.14862	13.2
243.21127	10.7
261.22079	51.7
282.60007	6.4
303.22995	11.8
315.23001	9.4
327.23434	7.5
353.26913	19.3
387.25049	10.2
392.22766	6.6
497.30774	16.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3743
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	3.6
55.01874	2.1
55.05518	15.7
57.03443	5.0
57.07071	2.4
65.03944	2.9
67.05515	46.4
69.03445	0.8
69.06734	1.0
69.07080	13.7
70.74538	2.2
71.01353	1.6
71.04990	2.9
73.20987	0.8
76.24859	0.9
77.03922	0.8
79.05508	38.5
81.03426	1.9
81.07069	31.2
83.04990	5.6
83.08622	4.7
85.06532	2.7
91.05498	26.5
93.07059	45.9
95.04984	3.8
95.08066	1.6
95.08625	21.1
97.06529	6.4
97.10175	6.4
105.04547	1.0
105.07048	18.8
105.18587	0.9
107.08617	24.9
109.06561	1.8
109.10167	8.8
111.08096	2.1
113.09695	0.9
117.07052	9.5
119.08595	14.6
121.06528	1.8
121.09339	1.5
121.10164	14.3
121.11032	1.1
123.11745	2.0
124.27468	0.9
125.09657	1.4
128.06187	1.0
129.07016	6.1
131.08588	15.4
133.10158	11.1
135.08176	0.9
135.11714	29.9
136.33629	0.9
137.09602	1.1
141.07053	1.9
142.07863	1.1
143.08577	6.7
145.10153	16.9
147.11673	4.8
149.13272	3.0
153.12802	1.9
155.08620	3.0
157.10153	6.9
159.11742	9.8
161.13297	3.9
163.11247	3.5
163.14851	1.4
167.08633	0.9
169.10211	2.9
171.11742	4.1
173.13310	6.4
175.14854	2.6
176.16321	0.8
181.10178	2.2
181.12234	4.6
183.11719	3.5
185.13313	3.9
187.14923	3.3
195.11737	1.6
197.13373	2.3
199.14880	3.2
201.16417	1.8
209.13310	1.3
211.14899	1.8
213.16415	1.4
221.13329	0.9
225.16452	1.3
237.16527	1.4
243.21152	2.0
261.22205	3.8
271.20850	1.0
285.19272	1.0
299.23645	1.8
317.24991	1.3
405.31775	2.5
423.32565	9.3
441.06699	0.9
441.33878	3.5
445.29767	1.0
459.34763	2.0
497.36398	4.4
515.37433	100.0
516.37598	2.6
521.96844	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3739
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02942	1.9
53.03946	4.7
55.01878	5.7
55.05513	20.3
57.03436	6.7
65.03946	3.4
67.05511	60.3
69.07070	17.2
71.04982	3.0
73.33779	1.7
77.03919	1.9
79.05500	50.5
81.03422	2.8
81.07062	41.7
83.04978	10.7
83.08630	7.7
83.60068	2.1
85.06533	3.2
90.17858	1.7
91.05488	31.4
93.07049	60.2
95.04980	9.2
95.08611	26.2
97.06531	8.1
97.10175	4.5
105.07029	19.9
107.08594	33.9
107.72157	1.9
109.10178	11.7
111.08073	3.1
115.85796	2.2
117.07038	8.0
119.08586	20.2
120.18769	2.2
121.10157	22.7
123.11691	4.1
129.06998	2.7
131.08566	14.3
133.10153	12.4
135.11707	36.9
137.09593	2.6
143.08562	5.0
145.10146	20.0
147.11682	9.7
149.13261	6.0
153.12823	4.4
157.10199	5.8
159.11757	8.4
161.13319	5.2
163.11226	6.3
163.58630	2.2
171.11655	3.2
173.13362	5.8
175.14844	2.7
181.12276	5.3
183.11719	2.3
185.13361	2.7
187.14886	3.0
243.21068	2.2
261.22195	4.9
293.94095	2.0
310.62830	2.5
423.32782	7.1
441.33688	4.8
448.07974	1.9
462.65546	2.1
497.36734	3.5
515.37378	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3225
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	8.0
55.05508	19.6
57.03434	13.6
57.07077	6.7
59.31460	4.3
61.02938	8.6
61.27164	4.4
65.03955	5.8
67.05183	7.4
67.05515	98.6
69.03438	13.4
69.07079	23.6
71.15837	7.1
71.16201	7.6
71.24954	3.9
79.05509	54.4
81.03432	10.6
81.06597	6.0
81.07072	100.0
83.05015	6.2
83.08635	9.5
85.02927	15.1
85.06554	6.1
91.05504	42.6
93.07063	69.4
95.04981	12.2
95.08617	65.8
97.02904	8.7
97.06528	6.9
97.10179	7.2
99.04509	5.7
105.07057	31.1
107.04996	5.1
107.08607	45.7
109.06516	10.7
109.10188	30.9
111.08054	7.1
115.05552	4.7
116.94942	3.8
117.07040	20.1
119.08599	32.2
121.10157	32.8
122.14204	4.1
123.08104	6.4
123.11731	18.1
129.07082	5.8
131.08603	26.5
133.10172	25.7
135.11703	27.6
137.13306	5.1
143.08527	7.0
145.10170	22.6
147.08023	5.4
147.11720	16.8
149.13264	17.2
155.08623	7.6
157.10103	12.9
159.11739	23.3
161.09695	5.2
161.13315	10.0
163.14832	10.0
169.10114	6.0
171.11678	7.3
173.13278	14.9
175.14822	8.7
177.12791	4.9
179.14282	4.4
185.13232	5.1
187.14894	8.6
243.21121	16.7
259.20740	6.9
261.22198	43.2
301.21646	7.8
303.23248	13.0
317.24765	5.6
317.31253	4.6
335.25864	17.3
345.24271	7.7
353.27005	12.8
369.24216	9.7
405.26443	5.7
419.27771	9.0
446.46213	5.0
480.30746	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	515.3224
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84017	3.1
53.03955	8.9
55.01887	5.1
55.05508	15.0
57.03448	10.1
57.07094	5.3
61.02922	3.9
67.05180	6.1
67.05516	77.8
67.14767	4.0
69.03436	8.3
69.07061	15.1
69.24369	37.6
79.05505	51.3
81.03426	8.2
81.07069	100.0
83.04976	7.8
83.08621	10.3
85.02915	5.8
85.06593	3.9
91.05499	29.6
93.07064	61.2
95.04990	5.6
95.08625	71.6
97.06532	7.0
97.10179	5.1
99.08144	7.1
105.07034	31.6
107.08601	41.7
109.06553	4.9
109.10175	35.5
117.07040	13.1
119.08591	18.9
121.10182	29.7
123.11737	12.8
129.06992	3.5
131.08583	22.1
133.10143	16.2
135.11722	25.5
137.09590	6.3
137.13252	6.5
143.08542	6.1
145.10097	19.6
147.11717	15.6
149.13269	22.1
159.11716	15.3
161.13257	11.6
163.14838	13.5
173.13278	15.3
177.16489	5.4
187.14833	4.8
243.21094	26.9
261.22147	65.3
279.23080	5.1
317.24988	4.3
334.98584	4.6
335.25848	10.4
345.24490	5.7
353.26871	10.2
440.80530	4.0
458.29919	4.8
461.29041	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3224
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.9
55.05527	18.4
55.15392	2.3
55.65607	2.0
55.69444	2.4
57.03436	8.9
57.07080	2.7
61.02933	7.1
61.98746	2.4
65.03926	3.5
67.05517	82.1
67.05878	4.8
69.03453	5.5
69.07072	16.5
71.04998	3.6
71.12128	4.8
73.02898	2.7
79.05505	51.7
81.03420	7.1
81.07069	100.0
83.04958	3.8
83.08628	8.9
85.02921	5.6
85.06587	3.4
90.70901	2.8
91.03976	4.4
91.05490	31.6
93.07058	57.0
95.04984	5.0
95.08620	65.7
97.02902	6.0
97.06542	4.2
97.10201	3.9
104.41048	2.3
105.07049	23.1
107.08617	35.1
109.06532	5.3
109.10175	28.2
111.04482	2.5
111.08064	3.8
117.07036	14.6
119.08588	21.1
121.10175	35.6
123.08101	5.1
123.11720	14.8
129.07040	5.2
131.08571	26.4
133.10133	19.8
135.08099	6.1
135.11714	25.9
137.13249	7.4
145.10172	13.8
147.08046	3.9
147.11703	12.3
149.09691	3.0
149.13260	14.8
155.08492	2.3
157.10152	3.4
159.11696	13.9
161.13280	9.5
163.14813	11.9
171.11655	2.6
173.13309	15.8
175.11295	3.0
175.14827	5.0
177.12784	3.2
177.16444	3.2
179.14331	3.6
185.09616	2.5
187.14848	10.6
201.16382	2.8
243.21147	19.5
256.84650	2.5
261.22168	58.2
268.16223	2.4
279.23364	4.9
301.21628	4.2
317.24698	3.6
335.25806	17.7
343.49423	2.4
345.24323	5.5
353.26874	8.7
377.26675	2.5
419.27924	4.1
497.30835	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	513.3064
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	14.7
57.03441	10.7
61.02938	18.2
66.27703	8.0
67.05507	53.1
68.85543	8.0
69.03423	9.9
69.07079	18.0
70.06611	9.6
71.05020	9.2
71.07690	16.9
77.81130	8.8
79.05486	36.2
79.83566	9.3
81.07071	38.9
81.31801	10.8
85.02915	14.1
88.94642	8.8
91.03907	11.5
91.05481	34.4
93.07026	49.4
95.08600	35.7
105.07046	35.7
107.08598	35.1
109.10128	12.2
117.07047	13.6
119.08588	32.9
121.10155	24.8
131.08609	19.0
133.10130	34.6
135.11694	34.9
143.08571	12.5
145.10147	13.9
147.11703	28.6
149.13211	13.8
154.19327	8.9
157.10098	10.9
159.11731	21.0
161.13251	24.3
171.11722	10.9
173.13324	13.0
175.14883	14.5
206.04648	10.7
241.19530	22.6
259.20581	39.2
271.17599	12.1
277.21759	11.5
351.25385	100.0
495.29153	14.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.2147
Annotation	Zeatin riboside-O-glucoside
Peak:m/z	Relative Intensity
52.30991	0.6
55.01866	2.1
57.03432	1.8
61.02926	2.0
63.06327	0.7
63.79041	0.7
67.05508	3.2
69.03431	6.9
70.06592	2.1
70.96426	0.7
70.96759	1.2
71.01352	0.8
71.05004	0.9
72.22920	0.7
73.02905	2.1
81.03414	1.9
84.08120	1.0
85.02913	16.9
87.04479	1.6
91.03948	1.4
95.04961	1.1
95.08584	0.8
97.02905	7.7
99.04457	1.8
100.74870	0.7
109.02884	2.0
117.19147	0.8
119.03571	3.5
121.05115	0.9
127.03885	3.9
135.06665	1.1
136.06192	100.0
137.04546	2.1
145.04941	2.4
146.04604	1.1
148.06186	18.6
159.06662	4.6
160.06264	1.1
173.08279	3.2
175.09793	1.7
185.08235	26.2
187.08611	1.6
202.10886	58.5
220.11945	61.1
293.33429	0.7
334.15012	1.6
352.16177	10.1
382.17239	63.2
383.17487	2.2
502.13519	0.8
514.21429	33.3
515.21832	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3062
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	23.4
61.02919	13.7
67.05508	42.7
69.03419	12.8
69.24509	100.0
79.05505	33.5
81.03413	16.7
81.07085	65.2
91.03945	18.0
91.05478	30.2
93.07029	31.2
95.04932	13.3
95.08617	24.4
105.07037	45.5
107.08605	41.3
109.10165	13.9
117.06994	14.0
119.08598	32.8
121.10171	29.2
129.06989	12.9
131.08603	30.9
133.10129	25.8
135.11678	18.1
143.08635	16.4
145.06537	10.5
145.10149	18.1
147.11729	44.2
149.13293	22.8
155.33598	10.1
159.11694	13.4
161.13257	22.6
171.11739	14.1
173.13228	19.0
185.13203	12.2
188.97229	10.7
241.15768	9.7
241.19594	34.5
259.20499	58.1
351.25433	99.0
495.28964	15.0
513.30182	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	512.5042
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	2.8
56.05034	0.4
57.07081	17.4
58.06601	1.6
60.04508	0.4
61.05359	0.3
67.05514	3.1
69.07089	2.4
69.47840	2.6
70.06599	15.2
71.08633	8.0
73.02910	1.6
73.42464	0.4
81.07059	2.6
83.08621	2.3
85.10188	4.7
88.07639	22.1
89.06012	1.1
95.08619	3.5
95.74514	0.3
97.10157	1.1
97.56616	0.4
98.21534	0.4
102.09187	15.9
106.08636	0.9
109.10124	1.3
133.08624	0.4
145.98473	0.3
149.13185	0.3
181.93224	0.4
212.23738	0.5
215.90779	0.3
228.23297	2.0
256.26370	50.9
257.26694	0.4
274.27371	4.3
283.26334	52.0
284.26785	0.5
311.29355	1.8
324.41418	0.4
386.34918	0.4
429.83832	0.4
512.50421	100.0
513.50793	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	513.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03396	0.4
71.28087	0.3
71.51722	0.3
81.03403	0.2
81.06974	0.2
85.02882	0.5
97.02835	0.2
130.26404	0.2
141.01839	0.2
168.56702	0.2
175.08638	0.6
187.08720	0.4
189.10153	0.3
199.08606	1.4
200.09436	4.7
201.10210	4.3
202.11003	0.4
203.11909	0.3
212.09433	0.3
213.10252	4.5
213.14055	0.2
214.11012	3.7
215.11807	16.4
216.12560	1.3
217.09654	0.9
219.11292	7.4
225.10228	0.3
225.13763	0.4
226.10971	1.2
227.08136	0.5
227.11815	0.6
228.08948	0.5
228.12553	2.0
231.11221	1.8
232.12024	0.4
233.12794	0.3
241.09712	1.5
241.13348	4.4
242.10506	9.0
242.14090	0.4
243.11360	2.0
245.09149	0.4
253.13354	0.4
254.10495	0.7
255.11295	0.8
256.12088	2.7
259.10803	3.4
259.13754	0.3
260.11566	3.6
261.12274	0.9
269.12836	4.3
270.13718	0.4
271.14322	0.6
272.11511	0.7
274.13193	0.6
277.11829	2.8
280.12216	0.3
282.10034	0.3
287.13815	2.0
288.14658	0.7
289.15430	0.7
297.12347	5.9
300.11066	2.6
305.15045	0.3
310.90863	0.3
315.13391	18.3
333.11322	0.5
333.14447	24.5
351.15515	100.0
352.15866	1.2
513.20807	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	513.304
Annotation	Platenolide B mycarose
Peak:m/z	Relative Intensity
65.26041	0.5
67.05518	0.6
69.67157	2.7
69.96809	0.5
79.05479	0.6
81.07066	0.9
91.10335	0.4
93.07035	0.8
95.08580	0.4
105.07072	0.6
107.08614	0.5
133.10162	0.7
135.08122	0.5
185.04189	0.6
191.87323	0.6
203.05305	0.7
216.78018	0.4
247.81000	0.5
256.26309	0.6
283.26404	0.8
352.91550	0.5
393.36508	0.6
512.50568	1.1
513.30383	100.0
513.50861	1.9
514.30945	3.1
519.78552	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.3437
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.4
55.05512	2.7
56.05037	4.5
57.03426	2.8
57.07069	1.0
58.06608	1.1
60.04535	84.9
61.02937	1.6
67.05508	7.6
68.05017	2.0
69.03443	6.8
69.07069	3.7
69.57442	6.5
70.06608	2.1
71.04990	2.1
72.04516	2.1
72.38940	1.0
73.02934	1.2
74.06092	2.6
79.05497	4.3
80.05016	1.6
81.03427	1.6
81.07075	12.0
82.06594	1.9
83.04973	1.1
83.08630	2.0
85.02916	14.3
86.06069	4.5
87.04440	1.1
87.73644	0.9
91.05489	2.9
93.07063	4.4
94.06574	1.3
95.04959	1.0
95.08622	8.5
96.08107	0.9
97.02900	4.8
97.10188	1.8
99.04477	1.3
102.05547	1.5
104.07125	3.0
104.19677	1.0
105.07067	2.2
107.08605	3.3
109.02910	2.6
109.10164	4.6
119.08568	1.2
121.10178	3.7
123.11723	1.8
127.03942	2.6
133.10170	1.9
135.11688	2.2
137.30257	0.9
137.36743	1.0
145.04984	1.0
145.10216	1.2
147.11717	1.2
147.46738	0.8
149.13284	1.2
167.07018	0.9
187.67848	0.9
204.93146	0.9
206.10419	1.0
224.11288	2.5
236.19974	1.0
252.23422	1.2
254.20735	0.9
260.23856	2.6
261.22174	1.4
266.24905	1.6
272.22357	1.2
277.26065	0.9
278.24854	6.0
278.93250	1.0
296.25891	8.2
314.26932	6.9
332.28012	17.1
350.29053	100.0
351.29337	1.6
392.30264	1.9
458.30927	1.6
494.33557	3.2
512.34351	47.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.2708
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.1
53.90162	0.7
55.05500	2.8
56.05023	0.7
56.16242	0.8
57.03428	2.0
59.04999	1.1
60.04531	16.5
61.02925	3.7
65.44483	0.7
66.42514	0.6
67.05511	2.2
69.03145	0.8
69.03436	8.5
69.07063	2.2
70.85029	1.6
71.04997	12.9
72.04504	0.8
73.02924	1.0
73.06556	2.6
79.05492	3.5
81.03421	3.1
81.07060	18.0
83.87400	0.7
85.02910	43.6
91.03949	2.3
91.05498	2.6
93.07053	12.1
95.08606	3.8
97.02897	11.4
97.06539	1.4
99.04456	2.1
101.90900	0.8
102.05537	0.8
105.07061	1.0
107.08591	9.0
109.02889	4.1
109.10154	3.5
119.08568	0.9
127.03937	11.3
135.11707	19.2
145.04971	19.7
153.12758	100.0
154.13127	1.0
163.06035	11.6
166.72282	0.8
278.24826	1.6
296.25842	2.3
309.91757	0.7
314.27026	1.5
325.11487	1.2
332.27927	5.9
350.29047	17.4
391.00571	0.7
494.33310	1.5
512.34308	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	512.3438
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12532	1.2
53.03944	1.8
55.01879	2.2
55.05528	6.2
56.05038	6.0
57.03435	3.6
59.04998	2.0
60.04532	100.0
61.02923	5.0
65.84228	1.2
67.05514	11.5
69.03441	13.1
69.07077	7.2
70.06599	2.9
71.04996	8.6
71.51955	2.0
72.04512	3.2
73.02927	2.0
73.06562	2.9
74.06084	2.7
79.05501	9.1
81.03403	5.8
81.07067	23.6
82.06599	2.2
83.04983	2.5
83.08643	2.8
85.02914	44.3
85.06551	1.7
86.06078	4.7
91.03992	2.2
91.05490	5.7
93.07037	13.7
94.06573	2.2
95.05026	1.9
95.08615	14.2
97.02908	12.1
97.06551	2.6
97.10155	1.5
99.04452	3.1
102.05567	2.4
104.07129	2.1
105.07034	2.8
107.08622	9.4
109.02888	6.3
109.10194	5.8
116.27034	1.2
119.08616	3.7
121.10197	3.7
123.11671	1.8
127.03928	12.3
131.08592	1.7
133.10135	1.9
135.11708	13.7
145.04979	14.1
145.10153	1.5
149.13319	2.0
153.12758	62.6
161.13351	1.5
163.06082	6.4
188.09239	1.9
206.10362	2.0
222.14154	1.2
222.21661	1.2
224.11270	2.3
238.16025	2.5
260.23755	2.4
262.64111	1.1
266.24945	2.4
278.24759	8.1
296.25906	11.8
314.27011	9.7
325.11432	1.7
332.27966	27.2
350.29037	94.3
351.29495	1.8
392.30386	2.1
448.12411	1.3
450.55566	1.2
494.33133	6.2
512.34363	67.6
513.34418	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.3557
Annotation	1-heptadecanoyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
51.93479	0.2
55.05510	0.8
56.05038	1.5
57.03441	0.4
57.07083	3.1
58.06589	1.6
59.07381	0.4
60.08168	17.9
67.05493	0.9
69.07072	0.7
70.06619	0.3
71.07380	7.3
71.08638	2.1
81.07052	1.4
83.08622	0.6
85.10204	1.1
86.09713	51.3
87.10016	0.3
95.08624	1.3
97.10210	0.3
98.98472	5.0
104.10751	100.0
109.10150	0.7
125.00014	31.0
134.78566	0.3
163.01573	0.5
163.87518	0.2
177.27042	0.3
184.07353	94.5
258.11041	0.9
313.27463	0.4
322.77454	0.3
327.29077	1.7
338.27826	0.8
433.27145	0.5
492.34494	8.7
510.35617	24.4
511.35950	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.1884
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96566	13.1
57.03443	5.1
61.02914	5.0
69.03436	15.0
70.24979	7.0
70.99873	2.1
71.01353	3.5
71.04993	4.2
73.02922	7.4
79.05479	2.4
81.03416	7.8
82.99868	1.9
84.96040	5.2
85.02911	35.4
86.03234	2.4
87.04471	4.3
91.05518	3.8
93.07064	2.0
97.02895	20.4
98.97595	36.0
99.04459	3.6
101.00883	28.7
101.02401	2.1
103.02443	3.0
109.02883	3.6
110.01313	3.0
110.97577	8.0
112.99158	8.6
113.00903	6.5
115.02435	6.6
115.81016	1.7
116.98656	8.4
117.04044	2.5
119.01935	32.3
124.02793	1.9
127.02469	3.2
127.03923	14.3
128.98636	4.2
129.04002	7.8
131.00214	6.4
131.01917	13.0
133.03442	9.0
137.02895	2.7
139.02403	3.9
139.11227	2.5
140.02357	2.8
143.00229	3.1
143.01923	9.0
143.05600	3.3
145.01727	4.2
145.03513	10.9
145.04993	9.0
147.05119	26.0
153.03970	3.2
155.01923	8.2
155.03003	2.5
156.98100	1.9
157.03499	31.1
158.99658	10.7
159.01367	2.0
159.03261	2.9
159.05029	3.2
161.01233	4.9
161.02942	9.9
161.06670	4.1
163.04543	2.3
165.06117	3.3
167.01961	2.4
169.03268	4.6
169.04497	8.5
170.99716	5.2
171.05136	11.8
173.01329	3.0
173.03014	4.8
173.06734	4.2
175.03087	3.6
175.04539	19.7
177.00763	4.8
177.04300	2.3
178.04903	23.3
179.02147	3.0
183.05043	6.9
183.08604	3.5
185.03017	2.9
185.06769	4.5
187.02797	3.3
189.00784	4.1
189.06071	22.0
191.02319	2.3
191.03917	7.3
192.04721	7.4
193.03850	3.3
195.05025	2.8
195.08711	6.4
197.03149	3.6
197.10252	16.6
199.11818	2.6
200.04449	4.4
201.00754	4.8
201.06168	33.5
203.04016	4.8
203.07706	5.7
205.05681	4.8
211.04660	2.7
213.00781	2.2
213.06273	3.2
213.09743	26.2
215.00430	3.1
215.02229	3.1
215.07915	4.1
215.11308	100.0
219.01784	10.3
219.07306	2.8
221.03207	3.0
221.05128	8.5
223.04599	3.1
223.06650	38.3
224.06792	2.0
225.06168	12.7
225.09740	5.3
231.07108	6.3
231.10788	2.9
233.12477	5.9
237.02879	6.8
239.04326	4.8
239.11275	16.5
241.07600	3.2
241.12920	2.7
243.10808	29.9
245.05215	10.4
247.06717	4.0
250.07175	12.5
250.57097	2.3
255.07391	3.7
257.05203	2.2
257.12387	12.9
259.07614	26.5
259.57953	4.1
261.11874	53.3
261.14499	3.8
265.07751	30.5
267.07568	2.6
272.06534	2.2
273.08249	3.1
281.07379	10.5
281.57370	3.7
282.07986	2.6
285.11810	10.7
289.07700	11.1
291.09283	54.7
292.09305	3.8
295.07019	2.7
301.08139	3.2
301.11200	16.3
309.06946	3.5
309.10388	13.4
319.08713	2.8
321.10419	10.8
322.10242	5.0
323.06564	2.9
329.06863	3.9
329.10806	58.1
333.11121	2.1
337.08478	9.8
340.10336	10.0
341.10916	2.7
351.11487	15.5
355.09189	3.1
367.10736	3.7
381.12286	4.2
395.10242	10.4
407.17880	15.4
425.09799	10.3
425.19077	19.6
511.10623	8.8
511.18741	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	511.3036
Annotation	CHEBI:68981
Peak:m/z	Relative Intensity
55.05509	17.8
57.03438	5.6
57.07067	9.0
67.05511	16.9
69.07076	22.0
69.18073	24.9
71.08626	5.2
71.84070	2.4
79.05473	6.8
81.07050	14.4
83.08613	17.2
87.25038	2.6
89.06042	3.9
89.56037	2.2
91.05470	3.6
93.07033	7.3
95.08611	14.5
97.06516	3.0
97.10164	7.8
98.11097	2.0
98.20734	4.3
98.98481	30.4
107.08598	5.0
109.10151	6.7
111.08070	3.8
119.08580	2.9
121.10141	6.3
123.11731	4.3
135.11710	5.2
155.01028	15.3
173.02106	2.9
201.16168	2.4
212.86317	2.8
246.87468	2.5
253.82329	2.3
265.25220	3.3
327.37985	2.6
339.28955	100.0
445.77008	2.9
475.28171	5.2
486.95761	2.5
511.33627	13.7
512.50403	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.1947
Annotation	SCHEMBL504410
Peak:m/z	Relative Intensity
50.45457	1.1
53.03944	2.0
64.68944	1.1
69.21116	1.0
70.61567	1.3
71.51355	1.9
77.06006	1.1
81.07069	1.2
82.30778	1.0
83.04984	2.6
90.15650	1.0
91.05449	2.2
95.04964	2.5
95.08610	1.7
105.03410	34.4
105.07063	2.8
107.08607	1.5
109.10125	1.1
112.22264	1.0
116.47943	1.0
130.97227	1.1
133.10146	1.7
145.10129	1.3
161.09644	1.5
200.44174	1.0
215.64267	1.2
328.82895	1.0
329.13660	1.4
347.94223	1.1
391.14923	1.5
451.17093	6.3
511.19461	100.0
512.19861	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	510.3281
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	2.2
55.05507	3.7
56.05025	3.9
57.03431	2.5
60.04536	100.0
67.05513	10.8
69.03440	6.6
69.07070	3.2
71.05004	1.7
71.11745	1.6
72.04514	4.6
73.02905	1.5
74.06088	2.7
79.05498	7.1
79.92957	0.9
80.05022	1.5
81.03413	3.7
81.07079	9.9
82.06586	1.5
83.05002	1.5
83.08618	1.6
84.04494	1.3
85.02450	1.1
85.02921	15.6
85.06548	1.4
86.06056	1.6
91.05485	6.7
93.07056	7.4
94.06580	2.7
94.18140	1.0
95.04989	1.5
95.08614	9.7
97.02892	4.0
98.06056	1.4
99.04446	1.2
102.05569	2.1
104.07101	2.3
105.07037	4.6
107.08617	5.5
108.08121	1.8
108.24520	1.0
109.02887	1.8
109.10149	4.0
112.07611	1.1
117.07032	1.5
119.08614	5.2
121.10098	5.2
122.61829	1.0
127.03945	1.3
129.07016	1.4
131.08604	2.6
133.10155	2.9
134.09650	1.2
135.08038	1.3
135.11707	3.1
136.27580	1.0
137.09599	1.0
143.08592	1.2
145.05016	1.4
145.10112	1.4
147.11719	1.7
149.13290	1.3
157.10114	1.6
159.11699	1.8
161.13251	1.9
171.11665	1.3
185.13347	1.3
188.09196	1.5
217.19373	1.3
224.11317	4.6
258.22476	1.3
276.23294	3.6
294.24304	6.1
304.67618	1.1
307.39459	1.0
312.25272	9.5
312.27786	0.8
321.99359	1.0
330.26425	55.0
347.40857	1.0
348.27496	73.2
372.27536	1.5
390.28751	1.5
438.28476	1.3
456.29596	2.5
474.31155	1.4
492.31650	22.1
510.32800	39.2
511.33374	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.3277
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	1.5
55.01888	1.4
55.05520	2.3
56.05043	4.0
57.03437	2.7
60.04529	97.6
61.02918	1.5
65.03957	0.8
67.05508	10.0
69.03439	5.9
69.07071	2.6
69.42271	1.2
69.42683	3.6
70.06615	0.9
71.05003	1.6
72.04508	3.0
73.02902	0.7
74.02338	0.6
74.06078	3.2
79.05502	7.6
80.05022	1.5
81.03423	2.3
81.07062	11.8
82.06586	2.2
83.05006	1.2
83.08629	1.4
84.04496	1.1
85.02908	16.0
85.06562	1.7
86.06067	2.7
90.05566	1.3
91.05489	7.7
92.20923	0.6
93.07052	7.7
94.06574	2.1
94.99253	0.5
95.04958	1.7
95.08614	9.1
96.08144	1.4
97.02890	5.1
97.06557	1.2
97.10208	0.9
98.06020	0.7
99.04447	1.3
102.05563	1.7
104.07127	1.5
105.07030	3.5
107.08585	4.3
109.02901	1.5
109.10164	3.9
110.09737	0.8
111.08112	0.6
112.07603	1.2
116.07081	0.7
117.07086	1.4
119.08565	3.2
120.08148	0.7
121.06509	1.0
121.10147	5.1
122.09697	0.9
123.11713	1.2
127.03946	2.8
129.07016	0.8
131.08583	3.0
133.10127	3.2
135.11722	2.7
137.13277	0.9
143.08600	0.6
145.05006	1.1
145.10165	2.1
147.11736	1.9
149.13333	1.3
159.11685	0.9
161.13248	1.0
173.13228	1.2
175.14854	0.8
181.28783	0.6
188.09158	0.6
206.10333	1.2
217.19565	0.7
224.11310	1.8
234.18820	0.6
258.22256	1.0
264.23187	1.0
268.22699	0.8
276.23297	3.3
294.24335	5.0
312.25366	7.6
315.13516	0.7
330.26401	21.0
348.27454	100.0
349.27853	2.6
357.00378	0.7
372.27374	0.7
390.28506	1.7
426.28558	1.1
449.50079	0.7
456.29541	2.2
474.30533	1.4
492.31680	5.1
510.32770	49.2
511.33234	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.369
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.9
54.04071	3.1
55.01867	4.2
55.05516	18.0
57.07068	12.5
59.05004	3.6
59.48405	3.6
65.37060	3.2
67.05495	21.8
69.03416	8.4
69.07070	39.8
69.96189	12.4
69.96608	6.0
71.08649	6.5
79.05482	12.2
81.03413	5.4
81.07064	100.0
83.04992	4.1
83.08635	22.2
85.02886	11.0
85.06533	10.2
91.05473	11.1
93.07062	24.0
95.04993	6.5
95.08612	56.9
97.10175	16.0
98.21417	5.9
99.08106	8.6
105.07026	11.4
107.04949	4.6
107.08609	23.5
109.10159	32.4
111.08081	10.4
111.11715	11.0
111.48860	3.6
119.08638	8.6
121.06480	4.2
121.10161	13.2
123.11734	24.8
125.13309	4.2
127.03938	4.5
131.04997	3.8
131.08600	5.3
133.10104	7.4
135.08151	3.9
135.11714	9.1
137.09645	4.6
137.13251	24.0
147.11687	6.7
149.13286	17.6
151.03931	3.7
153.12872	4.4
155.14336	24.1
163.14854	8.7
165.16431	6.3
167.14284	5.2
208.17772	4.4
275.27338	7.9
281.28656	5.6
293.28412	32.5
311.29379	5.6
335.94946	3.8
360.55386	4.6
426.40259	3.7
509.24332	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2472
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.2
55.01873	3.3
55.05509	4.5
57.03423	1.4
57.07076	1.3
63.61108	0.7
67.05508	5.6
69.03425	1.4
69.07072	4.7
79.05490	4.0
81.03403	0.8
81.06604	1.1
81.07067	21.0
82.07372	1.1
83.04972	2.7
83.08648	2.0
85.02886	2.1
85.06557	1.0
91.05486	2.6
93.07055	4.7
95.04939	1.5
95.08614	7.3
97.02898	1.2
97.06541	1.3
98.20745	1.6
99.04410	1.2
101.09639	1.0
103.05502	1.2
105.07031	3.6
106.24636	0.7
107.08596	4.3
109.06528	10.0
109.10177	2.9
111.04449	15.9
111.08047	1.0
113.06005	0.8
117.07036	0.7
119.08574	3.6
121.10168	5.1
123.08105	2.1
123.11724	1.8
125.06020	5.2
127.00884	0.8
128.76399	0.8
131.04915	3.0
131.08607	2.2
131.55814	0.8
133.10144	5.0
134.34917	0.7
135.08066	3.0
135.11685	5.6
137.05991	100.0
137.13211	2.3
138.06393	0.8
139.07532	0.8
143.08598	1.9
145.10114	1.8
147.08070	1.7
147.11678	6.1
149.09633	4.6
149.13272	2.1
151.07515	2.9
151.11139	1.1
157.10124	2.3
159.11731	1.2
161.09647	6.6
161.13272	3.2
163.11203	3.2
163.14810	1.5
165.09119	2.7
167.10658	1.2
169.10097	0.9
171.11632	1.1
175.11212	5.0
175.14679	1.1
177.09129	1.4
179.10689	1.9
181.10115	1.4
189.12700	1.0
193.12215	1.1
194.56534	0.7
197.13245	0.7
203.17923	5.8
213.16389	3.1
221.18983	2.7
231.17467	9.2
241.15907	1.1
249.18547	5.5
249.71382	0.8
277.18005	59.0
295.19080	9.9
320.22186	2.4
351.21695	60.8
352.22269	1.2
369.22754	26.3
431.18344	1.4
474.22137	1.0
492.23560	2.4
510.17978	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2754
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	16.8
55.01864	16.7
55.05516	23.9
57.03441	7.9
57.07069	4.3
61.02925	11.2
65.03960	3.9
67.05517	28.2
68.99796	8.3
69.03435	63.7
69.07063	21.9
71.04991	11.8
73.02905	12.2
79.05489	19.5
81.03423	55.0
81.07059	45.5
83.04985	11.6
83.08626	7.7
85.02914	100.0
85.06549	18.4
87.00829	38.1
87.04506	4.6
91.05493	27.7
93.07051	47.0
95.04958	13.5
95.08612	44.3
95.14826	3.8
97.02900	35.8
97.06512	4.4
97.10201	8.0
99.04457	26.3
99.08113	4.2
103.05479	6.6
105.01870	24.2
105.07025	30.7
107.04979	4.3
107.08600	43.5
109.02879	47.2
109.06544	11.5
109.10144	29.1
111.04467	5.3
111.08062	5.9
113.09649	8.7
115.03986	4.6
116.37669	4.1
117.01862	6.5
117.07005	16.1
119.08598	47.9
121.06503	9.7
121.10147	34.7
123.04462	4.1
123.08080	8.7
123.11712	16.5
124.03976	8.4
125.09618	8.5
127.03940	65.3
127.11223	4.1
128.06187	6.3
129.01871	11.0
131.04924	12.3
131.08575	26.1
133.06500	3.8
133.10139	37.0
135.08086	6.9
135.11743	23.7
137.05942	5.9
137.09607	16.4
143.08565	12.6
145.04993	24.5
145.10133	38.3
145.59056	4.1
147.02989	5.2
147.11703	16.4
149.09624	12.5
149.13231	7.3
151.03906	5.2
151.11192	6.7
153.01639	3.7
157.10132	14.6
158.10886	4.8
159.02927	31.9
159.11734	38.6
161.09647	6.3
161.13261	10.8
163.11180	7.5
165.09131	83.0
165.12831	5.7
169.10135	5.2
171.11702	10.8
173.09663	8.7
173.13272	34.1
175.11118	4.6
175.14824	22.9
177.09131	6.3
179.10704	3.8
185.13254	12.1
187.11250	5.1
187.14806	23.8
189.16539	4.7
191.10606	4.6
195.10196	5.7
197.13342	5.4
199.14867	6.0
201.12776	5.4
201.16368	23.1
203.17940	12.9
205.12270	24.6
207.10254	5.5
211.14973	5.8
213.16359	5.1
226.01878	4.4
229.55537	4.1
231.05042	9.9
243.21098	35.0
259.20462	7.5
261.22202	19.3
315.04959	12.1
369.24231	7.7
455.24115	7.0
473.25043	6.6
491.18890	4.8
491.26196	11.0
509.20828	5.4
509.27820	10.9
509.34442	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	509.2751
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	15.8
55.01881	11.9
55.05504	10.1
57.03437	11.2
57.05352	2.4
57.07063	3.4
61.02920	7.5
67.05515	12.9
68.99811	6.3
69.03441	55.5
69.07082	15.8
70.48925	2.2
71.01350	3.7
71.04992	8.5
71.24429	3.8
71.24802	2.8
73.02920	11.9
79.05490	9.3
81.03426	50.5
81.07076	27.2
82.80123	2.4
83.01317	2.5
83.05000	3.8
83.08626	5.8
85.02914	100.0
85.06554	16.5
87.00834	43.3
87.04463	3.0
91.03945	4.1
91.05481	16.9
91.76453	2.7
93.07053	19.8
95.04979	8.9
95.08617	25.4
97.02896	39.0
97.06583	3.7
97.10152	4.3
99.04469	23.1
103.05438	3.0
105.01862	26.3
105.07046	26.2
107.04948	3.9
107.08608	31.6
109.02893	49.6
109.06543	5.4
109.10162	15.3
113.09652	3.4
115.03938	2.9
117.01856	5.1
117.07004	4.7
119.08586	37.8
121.06516	22.7
121.10167	24.8
123.04408	3.3
123.11700	10.1
127.03929	75.9
128.06201	2.9
129.01855	6.7
129.07004	4.9
130.07797	3.3
131.08583	20.6
132.07445	2.6
133.10150	38.0
135.08063	3.7
135.11714	23.2
137.05971	4.7
137.09612	3.0
143.08594	9.6
144.09401	4.2
145.04993	27.7
145.10146	33.8
147.02917	7.9
147.11705	16.7
149.09659	4.1
149.13286	3.7
154.76302	2.9
157.10164	11.2
158.10922	6.1
159.02905	32.9
159.11713	30.0
161.09601	3.2
161.13298	7.6
163.11148	12.4
163.14726	3.7
165.09192	3.3
171.11678	6.4
172.12509	3.5
173.13263	34.2
175.11176	3.2
175.14833	24.3
177.16426	4.0
183.11766	3.4
185.13284	8.1
187.14815	24.2
189.03893	3.7
189.16472	2.9
191.10638	3.8
199.14854	4.7
201.16385	28.7
203.17996	8.1
211.14824	3.6
213.04031	2.7
213.16412	5.8
215.14240	2.7
225.16364	3.1
231.05057	14.9
241.19638	3.9
243.21107	41.5
245.22624	4.9
247.20641	2.7
253.19681	4.1
259.20645	6.8
261.22217	22.1
285.22110	5.8
289.05237	2.6
303.23196	4.5
426.76495	2.5
473.25543	4.8
491.26208	10.4
509.28317	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	508.3488
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	44.4
57.07080	24.7
60.08155	19.4
63.14163	9.5
67.05232	7.9
67.05516	73.3
69.07068	61.3
71.51640	12.7
72.08145	13.8
79.05494	28.8
81.07056	82.3
82.07402	10.4
83.08633	51.6
86.09699	40.2
91.05487	16.3
93.07043	36.4
95.08611	62.6
97.06492	11.3
97.10166	37.4
98.98449	28.5
104.10727	28.5
107.08607	36.0
109.10160	28.8
119.08584	11.9
121.10123	57.2
123.11720	23.5
124.99990	27.1
125.09531	10.3
133.10088	11.3
135.11696	37.8
137.13237	12.7
149.13272	18.3
184.07367	92.4
219.21178	62.0
219.23048	11.7
237.22182	82.6
255.23172	21.4
285.32095	11.4
292.72934	10.5
311.25848	100.0
329.26822	29.2
336.26117	38.6
425.38654	9.9
469.10876	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	509.0823
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96294	1.7
56.96570	23.0
57.03444	1.9
60.47071	0.8
61.02933	1.7
61.56570	0.8
69.03431	4.1
69.43474	4.2
69.43879	1.5
71.01366	1.0
71.95256	1.3
73.02935	2.0
81.03428	1.6
84.96047	22.6
85.02917	10.2
87.04478	1.1
97.02895	4.8
98.97597	100.0
100.99150	1.9
101.00901	5.3
102.97034	1.9
109.02867	0.8
110.97582	30.0
112.99145	7.7
113.00895	1.5
113.02396	0.9
115.02466	0.8
116.98640	19.6
119.01931	3.7
124.95477	1.0
124.99124	5.6
126.97025	1.3
127.00706	1.4
127.03931	3.5
128.98621	14.9
131.00203	8.0
131.01921	2.9
133.03468	1.4
134.99693	3.8
138.97075	3.1
138.98370	0.8
140.00194	1.0
140.98639	1.5
143.00174	8.9
143.01933	2.9
144.98106	2.7
145.01695	1.1
145.05014	2.5
146.99622	4.7
149.01260	3.4
149.77760	1.0
150.05525	0.9
150.97142	1.6
152.98589	0.9
155.00185	3.4
155.01915	1.7
156.98108	11.3
157.03467	4.8
158.99678	10.0
161.01234	15.5
161.02751	1.4
161.03058	1.4
162.99216	1.6
166.96596	1.1
167.02156	1.4
168.98116	5.4
170.99673	4.0
171.05092	1.2
173.01270	8.1
173.02972	2.4
174.99184	10.8
175.04590	2.4
177.00793	2.7
177.04231	1.2
178.04982	2.3
179.02290	31.6
182.99725	1.3
183.05101	1.0
184.97649	2.6
185.01291	1.3
185.03026	1.7
186.99217	3.8
187.04532	1.0
189.00763	2.5
189.04402	1.1
191.02330	3.6
191.03860	0.9
192.04759	1.2
193.00226	1.3
196.97662	3.0
197.01424	1.5
197.03328	12.0
198.99225	1.5
201.00777	2.2
201.02463	1.0
202.98627	1.1
203.02258	0.8
203.04033	1.3
205.00287	1.5
213.00752	3.1
214.98672	3.1
215.04214	1.1
219.01747	4.3
221.03355	17.5
223.06645	4.0
224.06909	1.0
225.02568	1.0
227.08826	0.9
229.00171	1.7
231.01718	1.6
231.07336	0.9
232.99687	1.7
234.12444	2.5
237.02824	1.8
239.04411	58.6
240.04932	0.9
240.67583	0.8
244.99632	0.9
245.05067	2.0
249.02832	3.0
254.61470	1.0
256.99884	1.1
257.05481	4.3
261.02884	1.1
262.05923	2.2
265.07739	3.1
267.03928	26.6
273.07855	1.1
281.05276	5.8
291.04233	1.5
305.07364	1.9
307.03406	2.5
309.04913	2.6
309.08719	3.4
317.05637	0.9
321.05008	7.9
321.10419	2.1
327.00272	2.0
327.05386	5.3
333.04977	16.3
335.06421	1.3
337.04547	2.1
337.08557	1.1
345.01263	8.6
347.06711	1.9
347.14661	1.4
349.04459	5.7
351.06064	3.8
351.11163	0.9
369.07394	1.1
389.02209	1.5
449.14166	1.6
473.15247	1.2
509.08240	24.8
509.19647	1.5
510.09067	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.4051
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	15.6
57.07079	46.0
60.20926	1.8
63.40080	2.0
65.03942	2.3
67.05180	4.1
67.05508	53.1
68.10790	1.8
69.07068	23.2
69.28255	14.4
69.28663	2.9
71.04992	5.1
71.08640	31.9
79.05498	28.0
81.03463	2.4
81.07063	85.4
83.04955	3.6
83.08630	27.7
85.06563	2.7
85.10192	18.3
91.05496	19.9
93.07055	31.8
95.04977	4.9
95.08609	48.1
95.09184	4.2
97.06561	5.5
97.10167	7.8
98.21471	4.1
99.08134	2.6
99.11703	2.0
105.07036	6.1
107.08598	21.4
109.10178	17.1
111.08118	2.6
111.11749	3.7
117.07041	5.6
121.10160	9.5
123.11714	9.4
131.08621	5.5
133.10136	10.5
135.11723	6.8
136.03523	2.6
137.13264	3.1
149.13264	18.2
159.11739	8.3
177.12787	2.6
195.13829	19.0
239.23807	11.3
447.20505	2.6
448.22214	2.1
507.23303	9.3
507.40536	100.0
508.40714	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	508.3396
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	3.5
56.05028	1.9
57.03445	1.7
57.07063	1.3
58.06610	1.2
60.08169	16.8
66.38662	0.9
67.05505	5.6
69.07065	3.6
71.07388	6.5
71.07706	1.2
71.52116	2.4
76.85861	1.1
79.05488	2.8
81.07045	4.3
83.08610	3.0
86.09709	56.2
92.30424	1.1
93.07052	3.5
94.07391	1.3
95.08611	5.5
97.10159	2.0
98.98462	6.5
104.10750	98.7
105.06976	1.2
107.08601	2.1
108.08887	1.1
108.65515	1.2
109.10162	2.1
119.08576	1.5
121.10134	2.0
125.00011	30.0
135.11694	1.3
155.01106	1.9
162.84604	1.0
163.88078	1.1
170.01016	1.1
184.07353	100.0
237.22160	1.6
245.75465	1.2
258.10898	1.6
287.83554	1.3
325.27347	2.2
336.26266	5.3
410.63968	1.0
424.57187	1.1
447.68787	1.2
455.31650	1.1
490.32867	9.3
508.33994	28.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.3402
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	0.6
56.05038	0.6
57.03428	0.4
58.06623	0.5
60.08166	7.0
64.36250	0.2
65.15944	0.2
67.05503	0.5
69.07065	0.6
69.19616	1.0
69.20044	0.8
71.07378	3.4
79.05500	0.4
81.07043	0.5
83.08633	0.3
86.09707	32.2
90.83257	0.2
91.05481	0.4
93.07057	0.3
95.08608	0.7
97.10194	0.2
98.21522	0.4
98.98470	3.9
104.10746	3.1
107.08606	0.2
109.10165	0.3
120.62486	0.2
121.10165	0.2
122.77874	0.2
125.00008	22.4
133.10133	0.2
143.14140	0.2
175.90622	0.2
184.07344	100.0
185.07738	0.3
258.11084	0.3
336.26108	0.6
347.29279	0.2
395.83984	0.2
490.32684	0.7
508.33893	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.4046
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	0.7
53.03942	2.4
55.01866	1.5
55.05514	16.4
57.03436	3.6
57.07078	40.6
65.03939	2.5
67.05508	57.4
69.07072	24.5
69.70715	4.0
71.04982	2.9
71.08636	28.0
79.05494	27.0
81.03410	1.7
81.07059	70.9
83.04980	3.1
83.08620	22.7
83.09119	0.9
85.06546	3.3
85.10185	16.1
91.05482	12.4
93.07047	38.1
95.04971	4.4
95.08610	41.1
96.08894	0.7
97.06537	5.9
97.10167	8.0
99.08084	3.7
99.11742	1.1
105.04528	0.9
105.07028	4.9
107.08594	23.2
109.06531	1.5
109.10155	15.6
111.08096	3.9
111.11700	2.5
114.35703	0.7
117.07032	5.1
119.08588	1.9
121.10149	15.0
123.11697	7.3
125.09698	0.7
125.13268	1.0
131.08554	7.3
133.10135	4.6
135.08031	1.7
135.11684	7.4
137.13199	1.9
139.11191	1.1
139.14803	0.9
147.11696	1.4
149.13261	28.5
151.11125	0.9
151.14867	0.8
159.11717	11.9
162.86122	0.7
165.16441	0.8
177.12750	6.4
195.13806	9.6
213.14867	1.9
221.22652	1.9
239.23692	8.3
431.91931	0.7
507.40494	100.0
508.40851	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2725
Annotation	Amoritin
Peak:m/z	Relative Intensity
52.45253	4.0
53.03952	7.0
55.05510	14.6
57.03439	8.6
67.05512	41.5
69.07061	17.6
69.24208	34.5
77.48592	3.5
79.05502	27.2
81.07068	52.2
83.08628	6.8
86.09707	5.5
91.05484	16.2
93.07052	42.6
95.08605	40.3
98.21468	8.5
98.98474	71.5
104.10757	15.8
105.07032	13.0
107.08602	21.3
109.10159	17.1
119.08589	11.0
121.10163	17.0
123.11713	6.3
131.08589	12.9
133.10136	14.5
135.11699	9.9
145.10129	8.6
147.11693	10.1
150.86560	4.4
155.01051	17.1
159.11732	7.1
161.13284	5.6
163.14833	6.7
173.02112	5.1
173.13196	4.9
184.07356	13.0
189.16560	4.4
243.21121	7.3
247.05811	5.1
261.22150	13.9
275.44043	4.3
317.24655	14.4
335.25806	100.0
471.24521	4.7
508.33731	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.3687
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.7
55.01876	3.1
55.05515	26.6
57.03456	8.5
57.07080	16.7
59.04995	3.2
65.03929	3.2
67.05511	100.0
69.03440	2.1
69.07070	18.0
71.04984	4.3
71.08641	10.5
71.51579	2.7
75.81752	1.5
79.05502	31.7
81.03427	8.6
81.07059	63.8
82.03769	1.7
83.05004	3.0
83.08628	19.4
85.06538	3.0
85.10171	5.0
91.05487	23.3
93.07056	32.9
95.04976	5.9
95.08614	46.9
97.06535	4.0
97.10165	16.4
105.07032	16.0
107.08604	25.8
109.10166	58.7
111.08080	4.1
115.66813	1.6
117.07058	7.6
119.08577	15.4
121.10126	15.1
123.11718	9.3
125.09659	9.0
129.06998	2.9
131.08559	12.3
133.10135	12.2
135.08052	2.6
135.11702	14.3
137.09621	3.1
137.13194	2.6
143.08629	2.9
145.10127	7.8
147.11736	8.4
149.13280	11.2
153.09077	2.1
155.10706	2.4
157.10139	4.2
159.11713	9.0
161.13245	7.3
163.14830	3.9
171.11673	2.4
173.11745	10.3
173.13303	6.9
175.14824	2.2
176.11490	1.6
176.99245	10.9
187.14790	2.7
189.11337	8.2
193.12395	2.5
195.00304	20.2
209.15343	2.5
227.12723	8.7
229.14348	25.0
243.21071	4.5
259.20630	1.9
261.22125	30.4
263.23755	3.6
279.23224	2.0
313.27374	9.1
317.24780	5.2
335.25867	21.6
351.24786	1.6
397.31097	5.3
415.22226	3.9
415.31915	6.0
433.33069	4.4
471.34695	3.2
489.25806	2.7
489.28348	2.5
489.35773	28.4
507.26822	34.9
507.37646	19.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.3688
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.5
54.78824	1.0
55.01860	1.7
55.05275	1.8
55.05517	23.6
57.03441	9.8
57.07079	11.6
59.05011	2.3
65.03925	3.1
67.05509	100.0
69.03433	1.3
69.07074	16.3
69.31009	10.5
71.04979	3.9
71.08639	7.7
74.74532	1.1
79.05499	31.3
81.03408	1.9
81.07063	64.5
83.05007	1.5
83.08626	17.5
85.06528	4.0
85.10174	3.4
86.09679	1.3
91.04980	1.7
91.05489	19.9
93.06489	2.4
93.07051	34.4
95.04948	2.7
95.08617	42.4
97.06535	3.4
97.10181	12.7
99.08067	1.5
105.07040	18.8
107.08605	24.2
109.06483	1.6
109.10162	64.0
111.08065	2.6
117.07018	6.6
119.08585	17.8
121.10144	16.2
123.08051	2.0
123.10988	1.0
123.11730	9.1
125.09669	8.7
127.11163	1.6
129.07074	1.7
131.08560	11.0
133.10136	11.3
135.11685	11.0
136.06180	3.5
137.09618	3.6
137.13249	2.2
143.08574	2.0
145.10143	9.8
147.11699	7.9
149.09608	1.5
149.13245	8.3
153.09120	2.1
155.10663	4.9
157.10118	2.8
159.11745	8.5
159.33907	1.1
161.13245	7.2
163.11229	1.3
163.14832	3.5
171.10182	1.5
171.11646	2.6
173.11737	15.2
173.13264	7.3
175.14822	2.8
176.99219	5.6
185.13240	2.7
187.14815	2.7
189.11258	8.3
195.00333	12.7
195.13853	1.5
197.13231	1.3
199.14842	1.3
201.16408	1.3
211.14873	1.4
227.12813	8.2
229.14360	37.3
239.23650	1.3
243.21011	5.8
249.18231	1.3
259.20520	2.0
261.22183	27.9
263.23645	2.3
279.23257	1.6
291.23154	1.7
313.27515	5.9
317.24747	3.8
335.25812	21.5
350.46298	1.3
351.25406	1.2
353.27026	1.4
379.29974	3.0
397.30920	4.8
415.22253	2.5
415.32159	6.4
433.33203	6.5
455.31915	1.3
468.44754	1.3
471.34641	4.1
489.25488	1.6
489.35779	37.0
507.26810	26.3
507.37000	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	507.2602
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	5.2
53.92477	1.2
55.01870	7.1
55.05515	11.5
57.03445	3.6
57.07083	6.9
59.05002	2.3
61.02926	2.8
65.03960	2.3
67.05513	16.9
68.99258	1.2
68.99783	1.7
69.03432	22.0
69.07076	28.8
70.06609	1.4
71.01366	2.2
71.04998	5.0
71.08656	1.9
71.51800	1.2
73.02915	4.8
74.70991	1.1
75.32151	1.2
79.05502	13.2
81.03432	17.3
81.07066	59.5
83.05001	3.2
83.08633	7.6
85.02912	36.7
85.06548	7.7
86.03265	2.5
87.00833	10.4
87.04495	2.5
91.05496	11.1
91.24948	1.2
93.07055	20.8
95.04995	3.8
95.08617	38.0
97.02899	14.3
97.06541	3.4
97.10185	4.5
99.04469	7.7
99.08090	3.7
101.02487	1.3
103.05499	2.4
105.01888	4.8
105.07048	19.6
107.05006	1.7
107.08602	21.6
109.02899	14.7
109.06509	3.4
109.10160	22.4
111.08099	5.3
111.11738	4.8
113.02377	43.2
113.09648	1.4
114.02713	12.0
117.07043	2.5
119.08598	19.4
121.06496	2.7
121.10153	15.1
123.08083	3.8
123.11697	14.3
125.05998	1.5
125.09602	2.4
127.03936	23.7
127.11061	1.3
128.06235	2.0
129.01892	1.3
129.07030	4.8
130.07803	1.3
131.04935	3.9
131.08592	7.9
133.10141	13.6
135.08037	2.6
135.11700	8.5
137.05991	3.3
137.09631	7.7
137.13275	18.5
140.03453	9.0
141.07059	2.7
142.07773	6.4
143.08575	8.5
144.09364	1.8
145.04991	7.6
145.10126	8.9
147.11708	11.0
149.09602	4.2
149.13257	4.6
151.07503	1.6
153.12752	4.7
155.08598	2.5
155.14333	14.7
156.09373	7.9
157.10146	20.5
158.10915	2.1
159.02902	7.6
159.11720	12.5
161.09566	1.6
161.13280	8.4
163.07582	1.8
163.11209	2.7
163.14859	3.1
165.09138	43.9
165.12759	3.5
167.07100	3.5
167.14342	1.9
169.08757	1.5
169.10181	3.6
170.10934	7.9
171.11699	19.6
171.13864	1.3
173.09544	1.8
173.13277	10.3
175.14859	4.7
177.09138	1.8
177.16415	2.0
181.05074	1.6
183.11691	3.5
185.13289	24.6
186.14146	2.3
187.14882	3.0
189.16403	1.6
191.14326	1.6
191.18005	2.6
197.13274	2.3
199.14809	10.3
200.15683	1.8
203.10695	1.6
205.12265	3.8
211.14839	3.9
213.16460	2.9
217.19504	2.2
226.17110	2.5
231.05061	4.3
241.19537	100.0
242.19887	3.2
259.20578	8.1
273.25830	4.2
278.09018	1.6
279.26828	2.4
291.26855	9.2
297.27887	1.9
309.11365	4.8
309.28049	9.6
310.11569	11.2
321.55591	1.4
327.29010	2.9
345.30017	2.5
507.26035	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	506.325
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	0.4
56.05038	0.6
57.03465	0.2
58.06373	0.2
58.06632	0.5
58.50235	0.2
60.08173	6.9
64.64600	0.2
67.05505	0.8
69.07079	0.3
70.34349	0.5
71.07383	3.3
74.06092	0.4
79.05510	0.3
81.07063	0.5
86.09719	33.2
94.04393	0.2
95.08625	0.3
98.98476	3.3
104.10754	3.0
109.10146	0.4
121.10155	0.3
125.00024	21.8
184.07367	100.0
185.07713	0.6
323.25815	0.4
380.68225	0.2
385.53326	0.2
448.13257	0.2
488.31326	1.2
506.32104	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.184
Annotation	4,6,2',4'-Tetramethoxychalcone 2'-beta-glucoside
Peak:m/z	Relative Intensity
56.05031	0.7
57.72878	0.7
67.78506	0.7
69.03429	2.1
70.06580	1.1
71.50993	1.3
71.51363	0.9
72.08154	2.4
83.06103	0.9
85.02930	3.8
86.03577	1.2
87.04460	0.7
95.06088	0.7
95.34557	0.7
97.02899	2.3
97.83613	0.6
98.97601	1.1
107.04924	0.9
110.97583	1.2
111.05573	3.0
112.07669	0.8
120.04496	1.6
126.06635	1.3
132.04477	16.8
134.06021	3.4
137.04823	1.6
137.05951	1.5
150.05557	1.6
151.06181	4.9
187.08757	0.9
187.14465	0.8
189.00673	0.9
194.06761	2.9
202.09778	1.2
230.09227	1.0
232.10887	1.3
237.02759	0.9
242.09317	3.3
257.10370	2.9
259.11963	8.7
284.11520	5.6
286.92862	0.9
302.12494	8.4
313.85123	0.7
327.11951	2.5
345.13092	100.0
346.13300	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.239
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01596	0.5
51.02381	1.4
53.03952	6.7
55.01867	1.0
55.05504	1.6
64.07158	0.5
66.59324	0.5
67.05478	0.7
69.40587	3.7
77.03936	1.4
79.05490	1.0
81.03413	0.9
81.07059	1.0
83.04986	11.5
91.05486	2.6
93.07050	1.0
95.04967	6.8
95.08612	1.1
98.21466	1.1
105.03397	100.0
105.04539	3.7
105.07018	3.8
106.03728	0.6
107.08601	0.9
109.06551	0.7
117.07027	2.1
118.61639	0.5
119.08593	4.5
121.06525	0.8
121.10138	0.7
128.06218	1.3
129.07025	0.6
131.08577	2.2
133.10123	3.4
135.08073	0.7
137.09610	1.0
139.07552	2.0
143.08542	2.5
145.06476	1.3
145.10139	1.5
147.08067	9.2
159.08121	1.9
159.11731	0.8
161.09630	22.3
165.09131	2.3
171.08098	1.5
173.13284	1.8
177.09082	1.0
183.11758	1.2
189.09137	7.2
201.12746	8.5
201.66026	0.5
203.14326	0.8
207.10176	4.9
211.11391	0.6
219.13832	1.6
229.12251	5.6
247.13348	7.0
249.11308	1.0
307.15442	0.8
311.12912	1.8
367.17862	0.7
369.16724	0.7
371.14767	0.9
429.19336	0.9
433.48203	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.3241
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	2.2
56.05033	1.4
57.03438	0.9
58.06610	1.9
58.56556	0.7
60.08168	16.8
65.64249	0.8
67.05514	5.6
69.07063	2.5
71.07384	8.0
71.08890	1.4
72.23840	0.8
74.06092	2.2
79.05501	1.4
81.07055	4.7
83.08614	1.1
86.09712	50.0
91.05481	1.5
93.07048	1.7
95.07801	0.8
95.08612	3.3
97.36713	0.7
98.98467	4.8
104.10753	98.2
107.08612	1.7
109.10184	2.4
109.58006	0.8
119.08596	1.2
121.10176	1.0
122.78233	0.8
123.11723	0.8
125.00013	28.6
133.10143	1.7
161.99068	1.0
184.07352	100.0
197.41318	0.9
235.20551	1.5
309.24164	0.9
314.90164	0.8
323.25839	0.8
341.99707	0.8
343.04120	0.9
488.31454	8.7
506.25266	1.6
506.32516	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	506.2964
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.9
55.01866	8.5
55.05509	4.5
57.03442	13.5
57.07054	2.2
59.10555	2.0
61.02937	13.6
62.49487	2.0
65.03913	2.5
67.05492	7.9
69.03437	40.1
69.07065	3.5
70.06583	2.5
71.01369	3.6
71.50874	3.6
72.46812	2.9
73.02926	64.7
78.97385	2.4
79.05504	11.8
81.03409	7.1
81.07058	39.1
83.04984	2.4
83.08607	2.5
85.02911	100.0
87.04436	3.1
91.03978	2.5
91.05488	4.1
93.07053	11.9
93.81407	2.2
95.04939	2.8
95.08607	35.1
97.02298	4.2
97.02899	64.6
99.04473	2.9
103.03986	4.4
105.07011	3.7
107.08577	12.9
109.02876	9.3
109.06503	2.9
109.10137	5.6
115.03934	30.3
116.42832	2.0
119.08581	2.8
121.10160	20.4
122.10471	2.3
127.03928	35.8
131.04927	3.7
131.08508	2.9
133.04977	34.3
135.11710	2.6
145.04964	52.2
147.11760	2.6
149.13243	3.2
163.06049	18.1
163.14873	2.8
165.09128	3.3
177.16376	34.2
193.04947	2.7
202.32434	2.0
204.08867	2.5
223.06079	6.7
241.07141	5.2
259.08133	9.2
295.10172	4.0
366.53531	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	506.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00303	1.0
53.03953	1.0
53.32310	0.5
55.01871	1.1
55.05484	0.9
56.96564	1.2
57.03429	2.1
61.02915	1.5
65.98631	0.5
67.05503	1.2
68.36892	0.5
69.03435	5.2
69.07052	0.8
71.05005	1.2
71.50941	0.6
71.51299	0.7
74.89098	0.5
79.05473	1.5
81.03422	1.2
81.07050	1.9
83.04971	0.7
83.93550	0.7
84.96042	1.0
85.02910	26.0
87.04469	1.9
91.03972	0.7
91.05484	2.0
93.07050	1.6
95.04981	0.9
95.08602	1.5
97.02899	7.2
98.97607	1.0
99.00810	1.6
99.04472	1.1
103.05457	2.6
104.98940	0.5
105.03398	1.1
105.07033	1.5
107.04962	1.1
107.08595	2.1
109.02890	1.5
109.10168	0.9
113.02374	100.0
114.02666	0.7
119.04933	0.7
119.08559	1.2
120.95458	0.6
121.06516	1.2
121.10144	1.3
123.08130	1.1
123.11762	0.8
127.03898	4.4
128.98627	0.7
131.03392	1.8
131.04929	4.6
131.08592	0.8
132.05290	0.6
133.10165	1.2
137.09651	0.9
139.52180	0.6
145.04993	2.4
145.10182	0.8
147.11647	0.8
157.10187	0.9
159.11728	0.7
165.09125	2.5
174.99155	0.7
178.07748	0.6
185.13257	0.9
191.62640	0.6
193.10191	0.9
197.09660	1.5
203.08557	1.1
205.12363	0.9
221.09630	3.3
231.08083	1.7
241.19521	1.8
249.09189	2.9
277.08594	5.2
292.76428	0.6
309.11270	19.8
309.14471	0.7
314.42227	0.5
327.12762	0.6
435.69565	0.6
506.19989	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.3
55.01867	0.3
55.05502	0.4
59.04999	0.2
67.05502	0.2
69.03428	0.3
69.07051	0.1
70.68703	0.4
78.03451	1.2
79.05481	0.5
80.05022	4.7
80.05497	0.2
81.07062	0.3
83.04980	1.4
85.06563	0.7
90.34595	0.1
91.05486	0.9
93.07072	0.5
95.04971	0.4
95.08591	0.5
96.04495	3.1
97.02870	0.2
97.06514	0.2
99.04449	0.3
105.07024	0.8
106.02914	0.7
106.97124	0.1
107.04961	0.3
107.08584	0.5
109.06530	0.4
109.10155	0.1
110.13625	0.1
111.04488	0.2
115.05456	0.2
117.07017	0.3
119.04910	0.2
119.08588	0.8
121.06528	0.6
121.10143	0.3
123.04469	0.3
123.08099	0.8
124.03958	100.0
125.04307	0.8
127.07613	0.2
128.06233	0.2
129.07014	0.7
131.04979	0.1
131.08565	1.7
133.06514	0.4
133.10141	0.4
135.08078	0.6
137.02327	0.2
137.06039	0.3
137.09622	0.5
139.03867	0.3
139.07558	0.1
140.03453	0.1
141.07001	0.5
142.07813	0.3
143.08591	0.7
144.05760	0.2
145.06493	0.4
145.10139	0.5
147.08060	1.7
147.11690	0.5
149.05988	0.5
149.09625	1.1
151.07552	0.6
156.09346	0.6
156.80559	0.1
157.06456	0.7
157.10141	0.5
158.07246	0.2
159.08061	3.1
159.11665	0.3
161.05984	0.3
161.09668	0.3
161.13271	0.4
163.04010	0.2
163.07553	0.8
163.11188	0.2
165.09105	0.3
166.07776	0.2
167.07191	0.1
171.08092	0.2
171.11684	0.8
173.09650	0.3
173.13261	0.1
175.07556	3.1
175.11165	0.7
177.09119	3.2
177.12645	0.2
179.07069	0.4
181.08583	0.2
181.10106	0.2
182.13710	0.1
184.08873	0.2
185.09642	0.3
187.07549	2.4
187.11194	0.4
189.09142	0.2
189.12776	1.2
191.10725	0.3
193.08612	7.5
194.45390	0.1
197.09633	0.2
199.11191	1.3
201.09186	0.2
201.12752	0.2
203.10710	0.5
205.08615	4.9
205.12051	0.5
207.13948	0.2
215.10638	0.7
217.12242	3.5
219.13808	0.2
221.08134	0.2
223.09648	1.2
227.10678	1.4
233.11716	1.6
235.09686	2.0
235.13293	1.5
241.10721	0.3
245.11740	2.4
245.14081	0.2
247.09587	0.8
251.12730	0.2
259.13251	0.1
263.12802	2.2
265.10733	0.5
265.18906	0.1
275.12656	0.2
281.14059	0.3
283.11783	0.2
287.12857	0.2
293.13864	0.2
305.13931	0.4
311.14981	0.6
323.14825	0.7
365.16016	0.5
506.20267	11.2
507.20786	0.4
513.25757	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	506.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	0.3
55.05507	0.6
59.05010	0.6
67.05508	0.5
69.03434	0.7
69.07087	0.4
70.17152	0.2
78.03462	2.0
79.05479	0.5
80.05031	4.1
81.07076	0.4
82.33688	0.3
83.04995	2.7
85.06541	1.3
91.05486	1.7
93.07053	1.0
95.05000	0.7
95.08608	0.5
95.09180	0.2
96.04500	2.6
97.06567	0.3
98.20719	0.5
99.04462	0.5
105.07053	2.2
105.35612	0.2
106.02924	2.1
107.04984	0.5
107.08607	0.8
109.06561	0.5
111.04443	0.4
111.08031	0.2
115.05435	0.3
117.07038	0.4
119.08591	1.3
121.06510	0.9
121.10153	0.3
123.04485	0.4
123.08090	0.8
124.03971	100.0
125.04309	0.7
128.06271	0.3
129.07030	1.4
131.04962	0.3
131.08586	2.8
131.50543	0.2
133.06599	0.6
133.10161	0.7
135.08081	1.0
137.02376	0.4
137.06020	0.6
137.09636	1.0
139.03915	0.9
140.46373	0.2
141.06999	0.7
142.07813	0.5
143.08578	1.1
144.05745	0.3
145.06532	1.0
145.10152	0.6
145.83380	0.2
147.08086	2.6
147.11737	0.8
149.05994	0.4
149.09633	0.8
151.07561	0.7
153.09161	0.3
155.08493	0.3
156.09395	0.8
157.06502	1.3
157.10149	1.0
159.08084	4.9
161.06071	0.3
161.09668	0.4
161.13293	0.6
163.03894	0.3
163.07512	1.6
171.11749	1.5
173.05971	0.3
173.09651	0.4
175.07582	3.7
175.11156	0.7
177.09158	4.2
177.12762	0.2
179.07077	0.6
184.08882	0.3
185.09692	0.3
187.07564	3.1
187.11206	0.5
189.12773	1.8
191.07138	0.2
191.10747	0.4
193.08632	10.2
197.09689	0.3
199.11240	1.7
201.12819	0.4
203.10764	0.5
205.08633	5.3
205.12265	0.7
207.13919	0.2
215.10710	0.9
217.12238	3.2
223.09639	1.5
227.10681	1.4
233.11758	1.9
235.09773	2.3
235.13313	1.9
238.40904	0.3
241.10738	0.5
245.11745	2.4
247.09711	0.4
263.12823	2.5
264.90668	0.2
265.10617	0.3
283.11783	0.3
323.15207	0.4
328.11954	0.3
446.18411	0.5
464.19415	0.5
488.19254	0.9
506.20297	12.0
507.20770	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3891
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	5.9
53.04177	1.3
55.01866	1.6
55.05516	14.5
57.03453	1.4
57.07080	46.4
58.56228	1.0
65.03954	1.7
67.05511	32.4
67.15128	0.9
69.03431	2.1
69.07073	13.6
69.31651	4.5
69.32086	3.6
71.04980	1.3
71.08246	1.6
71.08637	35.2
79.05498	14.2
81.03425	100.0
81.07063	35.7
83.04980	4.2
83.08157	2.0
83.08628	32.1
85.06540	1.8
85.10194	17.2
91.05489	19.5
93.07047	8.9
94.16357	1.3
95.04979	28.4
95.08613	37.0
97.02895	2.6
97.06544	2.6
97.10183	9.1
99.08096	1.2
99.11732	2.5
105.07047	17.5
107.04953	7.0
107.08601	4.8
109.06535	3.5
109.10153	15.3
110.78301	1.1
111.04463	2.3
111.08080	6.3
111.11724	2.6
115.05543	1.4
117.07043	2.1
119.04974	1.5
119.08614	11.9
121.06542	1.8
121.10157	5.7
123.04430	1.4
123.08070	2.0
123.11726	7.1
128.06314	1.1
129.07013	11.2
131.08578	8.5
133.06526	4.0
133.10153	5.1
137.09627	2.1
137.13255	2.6
142.07816	3.0
145.10175	1.8
147.08116	3.2
147.11717	7.4
149.09669	5.3
157.10155	9.6
165.12816	1.4
175.11227	10.4
183.59459	1.1
193.12260	68.6
203.14618	1.0
204.23839	1.0
221.22760	2.2
231.13774	1.4
239.23700	9.6
249.14806	5.7
280.53470	1.0
307.52542	1.1
387.78741	1.0
392.24945	1.0
505.38989	93.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00307	1.2
55.01862	0.4
55.05503	1.5
56.05029	1.5
59.04999	0.5
61.60542	0.4
65.02684	1.6
66.03158	0.4
66.03472	3.0
67.01863	0.9
67.05494	1.2
67.07056	0.3
69.03432	0.8
69.07063	0.4
69.24712	1.8
69.25134	1.4
71.01333	0.5
74.56461	0.3
78.03453	0.7
79.04233	0.5
79.05501	1.3
79.25020	0.3
81.07075	1.7
83.04990	6.5
89.44729	0.4
91.05493	3.7
93.07047	1.0
94.02908	1.6
95.01298	0.4
95.03713	4.3
95.04971	1.4
95.08627	1.8
96.04506	0.9
97.06554	0.5
103.05463	0.5
105.02130	0.5
105.07037	4.7
106.02311	0.3
106.02899	1.8
107.04935	0.5
107.08582	1.2
109.06547	1.1
112.04008	1.9
117.07024	1.2
119.08583	4.7
121.06567	0.7
122.02407	27.4
123.03204	1.8
123.08063	0.6
124.03991	0.8
127.02649	0.4
128.06247	1.8
129.06987	0.4
131.08553	2.3
133.06519	0.4
133.10130	2.3
135.08086	1.3
137.09639	0.5
139.07562	0.3
140.03441	100.0
141.03799	1.0
141.07014	0.4
143.08563	3.6
145.06531	0.6
145.10164	1.7
145.57198	0.3
146.07257	0.4
147.08049	4.7
147.11653	0.4
149.09625	1.4
157.10201	0.6
159.08023	1.3
159.11707	0.5
161.09648	4.8
163.07579	0.5
165.09140	1.5
171.08086	0.8
173.13303	0.6
175.14803	0.3
182.04558	0.6
183.11723	0.8
185.13336	1.0
189.09117	1.7
201.12746	2.4
203.14403	1.4
207.10229	1.1
219.13843	1.4
229.12248	2.0
247.13393	1.6
258.11401	1.5
261.09311	0.4
276.62482	0.4
282.11273	1.0
286.10843	1.0
304.11969	1.2
328.11893	0.9
342.17169	0.4
368.15121	1.1
384.90515	0.4
386.16010	2.3
388.13953	1.1
400.28357	0.4
404.17111	1.2
428.17172	0.6
446.18234	4.0
464.19507	2.0
505.67905	0.4
506.20291	45.5
507.20837	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.39
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	4.6
55.01876	6.2
55.05271	2.9
55.05521	40.6
57.03442	5.0
57.07077	12.7
67.05187	2.3
67.05518	37.9
69.06736	2.6
69.07083	43.3
71.04988	2.9
71.08645	9.0
71.52218	2.1
79.05511	26.8
81.03438	5.0
81.07072	46.8
83.04997	3.6
83.08161	2.0
83.08639	37.2
85.10211	2.9
91.05485	14.1
93.07060	36.3
95.04997	3.5
95.08630	18.3
97.06546	8.1
97.10188	21.6
105.07032	5.6
107.08618	21.0
109.06504	1.9
109.10149	5.9
111.08101	4.7
111.11742	6.3
114.92384	1.5
117.07052	5.3
119.08610	2.4
121.10184	13.9
123.11722	2.7
125.09599	2.1
131.08607	6.4
133.10158	3.0
135.11682	8.1
137.13342	2.5
139.11310	1.6
147.11736	2.4
149.13281	20.3
159.11742	7.9
177.12805	4.1
193.12326	2.0
195.13864	7.2
237.22182	16.0
505.38983	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2668
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	2.4
55.05502	3.4
56.78717	1.5
57.03431	5.1
58.80806	1.4
61.02904	1.8
66.49538	1.5
67.05502	4.2
69.03438	9.4
69.07063	3.4
69.84556	8.0
70.06586	5.5
70.64157	1.3
71.04990	2.9
72.08170	2.0
73.02911	12.5
79.05500	4.1
79.40082	1.4
81.03412	3.2
81.07066	14.7
85.02901	15.3
85.06544	2.0
91.05471	7.1
93.07045	7.2
95.04974	2.3
95.08614	17.4
97.02904	9.5
99.08092	3.5
103.05508	2.5
105.07043	14.9
107.08580	9.7
109.06557	1.6
109.10126	3.9
110.47318	1.5
115.03902	5.1
119.08588	47.0
121.06522	1.8
121.10153	2.2
123.11678	3.0
127.03910	5.1
131.04912	6.7
131.08540	2.6
132.05264	2.4
133.04990	3.0
133.09125	2.5
133.10135	49.8
135.11700	11.4
137.05978	13.6
138.06335	2.8
145.04948	6.6
147.11668	3.0
149.06075	1.8
163.11253	1.6
169.08493	1.4
169.47816	1.6
175.07506	3.5
175.14835	100.0
176.15149	1.8
177.47697	1.5
181.04922	2.4
185.13187	1.8
190.06184	1.9
191.96135	1.9
193.15907	12.4
206.08072	1.9
211.16942	11.0
299.70117	1.5
313.13443	1.7
429.31940	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.3093
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.4
56.05040	0.4
58.06607	0.3
60.07888	0.5
60.08171	6.6
61.88684	0.3
67.05510	0.6
69.07085	0.4
70.06572	0.5
71.07380	3.3
71.26331	0.3
71.26671	0.6
72.08134	0.3
76.79834	0.3
79.05486	0.8
81.07046	1.0
83.08626	0.3
86.09715	32.5
91.05471	0.3
93.07032	0.4
95.08613	0.6
98.98470	3.9
101.98076	0.3
104.10757	2.9
107.08627	0.3
109.01469	0.3
125.00017	23.2
131.04919	0.7
180.14685	0.4
184.07358	100.0
185.07756	0.6
215.74028	0.3
332.26703	0.5
404.69897	0.3
486.29858	0.8
504.31046	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.4051
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44762	1.6
55.05517	9.0
57.07083	9.6
58.91717	1.6
60.04523	8.1
65.73009	2.2
67.05506	2.5
69.07075	14.8
69.42805	11.7
71.08627	7.7
79.05476	1.9
81.07059	40.0
83.08630	7.7
85.10176	2.8
85.64101	1.7
91.05457	2.7
93.07047	5.7
95.08610	3.9
97.10166	4.2
107.08613	3.3
108.08132	4.9
109.10142	2.4
111.08089	8.5
111.11701	2.4
120.08099	5.5
121.10140	1.9
136.07594	2.3
137.06012	2.3
138.09145	56.0
139.07559	28.4
149.13403	2.0
150.09132	5.6
151.07568	3.1
154.08636	58.6
164.07080	56.7
164.10686	1.8
165.09117	2.3
167.07091	6.9
176.10677	2.7
180.10205	14.7
182.08134	11.0
192.10223	12.4
196.09743	4.0
198.11310	7.1
307.29974	2.2
426.37039	8.9
427.35907	5.5
444.38394	100.0
445.37054	3.6
462.39410	2.7
486.39450	60.9
504.40503	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	505.3527
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	6.2
55.01859	8.4
55.05516	23.3
57.03429	5.9
65.03955	2.6
67.05169	3.2
67.05515	33.3
67.84567	2.3
69.03422	6.7
69.06795	1.8
69.07077	20.4
69.42594	11.4
69.43001	4.5
70.06607	2.6
71.04987	6.9
72.08155	3.2
79.05498	32.4
81.03416	2.8
81.07065	45.6
83.04979	10.2
83.08624	11.6
85.02905	6.8
85.06532	10.5
87.04459	3.1
91.05479	30.7
93.07048	32.6
95.04996	11.8
95.08614	37.5
97.02880	7.3
97.06536	12.3
97.10175	9.3
99.08095	3.4
103.05473	5.0
104.49016	2.0
105.04566	2.7
105.07037	40.5
106.02910	4.6
107.04970	6.2
107.08610	22.6
109.06521	6.3
109.10155	19.7
111.04459	3.2
111.08105	7.4
115.05431	3.4
117.07040	12.2
119.08591	31.9
120.51885	2.1
121.06524	11.7
121.10172	22.4
122.10556	2.4
123.08064	9.1
123.11685	6.6
124.03978	12.6
125.06022	2.6
125.09650	5.1
127.03909	2.2
128.06241	2.8
129.07007	8.2
131.04918	7.2
131.08571	24.6
133.06479	5.3
133.10162	20.8
135.08078	5.3
135.11682	7.6
137.05975	6.3
137.09653	6.4
139.07565	2.7
139.11201	3.8
140.12234	2.2
141.07001	4.2
142.05154	2.0
142.07843	3.3
143.08572	12.3
144.09390	3.6
145.10156	14.3
147.08040	4.2
147.11684	15.8
149.09645	8.1
149.13292	4.7
151.07440	2.8
155.08507	5.0
157.10135	7.6
157.12305	3.6
159.08102	2.6
159.11702	18.0
161.09656	5.4
161.13228	4.9
163.11229	5.4
165.09160	9.4
165.12737	3.1
167.07085	3.4
167.08482	2.4
169.10144	4.8
171.11717	8.1
173.09686	3.4
173.13289	8.4
175.11121	4.7
175.14851	2.8
177.09091	4.7
177.12672	6.2
179.07112	3.6
183.11703	6.9
185.13234	3.3
187.11305	2.8
189.12788	3.8
195.11868	2.9
197.13310	5.2
199.14868	3.5
201.12668	3.2
205.12234	4.4
211.14867	2.6
218.12663	2.5
223.16927	2.8
245.06445	3.6
257.15128	4.6
257.21198	3.1
275.17490	3.1
275.20023	16.5
289.05661	2.4
339.23389	3.1
357.24286	3.2
413.83212	2.4
419.20361	13.7
423.32294	2.8
433.31097	5.8
451.32236	10.8
459.34836	3.2
461.21509	34.7
469.33252	19.9
487.34760	16.4
505.20490	100.0
505.35934	5.2
506.20697	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	504.2812
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.9
55.01856	1.2
55.05518	5.3
57.03427	1.5
59.05009	2.1
61.02931	1.3
66.47893	0.7
67.05498	2.9
69.03434	9.1
69.07069	2.2
70.06588	1.4
71.04996	1.9
71.08650	5.6
71.51501	0.8
72.08154	1.9
73.02912	2.2
74.94480	0.8
79.05489	3.5
80.35529	0.8
81.03404	3.0
81.07076	5.8
83.04993	4.8
83.08643	0.8
84.08159	1.2
85.02921	8.6
85.06587	1.0
86.05598	1.2
86.06081	15.4
87.04485	2.0
91.05464	3.9
92.05732	0.7
93.07065	4.2
95.04959	2.3
95.08595	5.3
96.08119	3.3
97.02918	5.3
97.06599	0.9
98.06084	0.9
98.09708	7.7
99.04453	2.0
99.08104	10.7
101.06026	3.4
103.05472	11.3
105.07047	4.4
107.08625	4.4
109.02889	3.1
109.06526	1.7
109.10193	4.5
109.10892	0.7
111.04464	6.4
111.08093	1.2
113.02395	1.2
116.10743	25.0
117.07014	1.0
119.08603	5.3
121.10138	3.2
122.09664	1.5
123.08049	2.0
123.11728	2.2
127.03945	5.7
129.05475	1.9
129.07014	0.9
131.04941	43.1
131.08531	2.0
132.05321	1.3
133.10129	2.4
134.09637	1.3
135.08098	1.3
135.11708	2.6
137.06033	4.9
137.09604	1.4
140.10617	0.9
141.01830	0.8
141.09094	1.0
142.08644	8.7
143.10707	1.3
145.04970	6.4
145.06531	1.1
145.10130	1.7
147.04352	0.8
147.11678	3.0
148.11131	0.8
149.05977	1.0
149.09628	0.9
155.07024	2.1
159.11649	1.0
161.05966	1.0
161.13228	1.9
164.10802	4.0
165.09111	3.3
173.08208	1.8
173.13278	1.4
175.07567	1.2
175.11317	0.9
176.08122	0.7
180.13928	1.1
182.13937	1.0
182.15387	4.7
185.05888	0.8
190.12288	3.3
191.14310	0.9
192.14632	1.5
198.14857	1.4
203.17937	3.5
205.12296	3.2
206.12535	0.9
208.13380	5.6
214.18053	11.3
226.14421	28.9
243.12419	1.1
244.15485	100.0
245.15814	2.2
249.10364	1.3
261.13348	2.4
289.07321	0.9
307.08194	2.7
342.22809	8.1
342.26675	1.3
388.19421	2.7
406.20807	17.3
442.17590	1.7
472.15436	1.9
504.17734	2.3
504.27841	5.7
504.35864	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.9
55.01872	1.0
55.07207	0.4
57.03429	1.0
59.05006	9.1
64.72782	0.5
69.03427	1.0
70.63996	0.6
70.64330	1.0
71.01353	1.3
71.04995	0.7
73.02908	0.8
77.03937	0.9
85.02912	5.8
86.68606	0.4
87.04493	0.7
95.04970	0.7
97.02906	3.3
99.04420	0.8
103.05470	26.6
105.03391	1.4
111.00939	0.4
113.01708	0.4
113.02347	2.7
115.05482	0.5
123.00877	0.5
128.06197	0.5
129.07019	1.0
131.04938	100.0
131.08603	1.2
132.05272	1.3
139.02127	0.4
141.01848	4.6
141.06984	1.1
144.05618	0.6
145.04970	26.8
148.62546	0.4
149.05994	1.7
159.08110	0.7
169.06537	1.6
185.06009	0.6
187.07507	2.9
190.85126	0.4
197.05904	0.7
199.07631	0.5
205.08752	0.6
213.05540	1.0
225.54517	0.4
227.07231	0.7
245.08231	0.8
247.09824	0.8
261.07663	0.8
271.04596	0.6
275.09134	1.2
289.07166	2.0
293.10028	0.4
299.37256	0.5
306.75153	0.4
307.08151	6.2
419.09775	2.3
433.11475	1.0
451.12476	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	504.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	0.6
53.03939	1.2
57.03437	1.0
59.05011	4.4
61.49249	0.3
64.44376	0.4
67.06849	0.3
69.03421	0.4
69.39368	1.7
69.39796	1.5
71.01331	0.4
71.04993	0.7
74.24672	0.4
77.03921	0.8
85.02916	2.8
95.04960	1.2
97.02909	1.6
98.20837	0.9
99.04457	0.5
103.05477	32.3
105.03397	0.5
113.02383	1.8
117.07001	0.5
127.03969	0.6
128.06213	0.5
129.07013	0.8
131.04941	100.0
132.05270	1.6
141.01828	1.7
141.07036	1.3
145.04971	12.5
149.06010	1.4
164.63615	0.4
169.06526	1.2
185.06026	0.7
187.07521	0.8
195.72331	0.4
197.06013	1.2
208.19456	0.4
212.72404	0.4
215.07127	0.4
261.07782	0.7
271.04636	0.8
272.36050	0.5
275.09146	0.6
289.07098	1.3
307.08231	2.1
401.08496	0.9
419.09741	1.7
433.11496	0.8
447.36182	0.4
451.12311	0.9
508.42722	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3734
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54314	0.7
53.03945	5.1
55.01884	1.2
55.05513	18.7
57.03445	1.7
57.07070	3.1
59.05002	1.5
62.56532	0.6
65.03939	2.8
67.05505	65.3
68.05840	0.7
69.03432	1.1
69.07069	12.0
71.04988	6.4
71.08611	1.2
77.03925	1.0
78.40164	0.8
79.05494	32.6
81.03416	6.3
81.07056	100.0
83.04987	2.4
83.08617	9.2
84.84673	0.7
85.06537	11.0
91.05479	23.7
93.07042	31.1
95.04955	4.2
95.08611	20.3
97.06535	2.2
97.10157	3.9
99.08127	0.8
105.04530	1.2
105.07028	16.6
107.08596	16.3
109.06548	1.4
109.10158	11.9
109.10851	1.2
111.08092	2.0
117.07021	5.6
119.08578	11.8
121.10135	14.1
123.08067	0.9
123.11700	11.6
129.06978	2.4
131.08560	7.7
133.10123	13.8
133.11092	0.9
135.11703	8.1
137.09592	1.4
143.08553	1.5
145.10155	7.1
147.11693	5.3
149.13269	3.2
151.11174	4.1
155.08551	1.1
157.10146	2.3
159.11728	3.4
161.13266	3.4
163.14806	0.7
169.10121	1.0
169.12332	1.7
171.11696	1.2
173.13316	3.2
175.14949	1.0
187.13324	9.1
187.14815	1.4
193.12302	1.7
261.22247	2.5
299.06012	1.0
313.90457	0.7
342.83255	0.8
411.32693	2.7
429.33694	1.0
445.17432	0.8
485.36252	2.4
503.37329	62.4
504.38495	1.8
506.58771	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	0.5
53.03942	0.6
53.66641	0.3
57.03424	0.3
68.37980	0.3
69.03421	0.4
69.43415	1.3
69.43837	0.9
71.01368	1.3
77.03909	0.5
77.58511	0.3
85.02899	1.8
87.04481	0.4
93.25819	0.2
95.04946	0.6
97.02895	1.0
98.21467	0.5
102.04675	0.4
103.05470	31.2
104.05785	0.4
105.04482	0.3
113.02376	1.8
127.03956	0.4
131.04933	100.0
132.05238	1.8
141.01836	1.3
145.04962	2.6
149.05989	2.3
166.21158	0.3
169.06409	0.3
261.07639	0.5
271.04483	0.5
289.07080	1.8
307.08072	4.5
391.10468	0.3
419.09839	1.2
433.11713	0.5
437.10962	0.5
451.12524	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	5.5
57.03445	4.7
58.39682	4.2
67.05506	9.0
69.03432	13.3
69.07058	8.0
70.06602	5.4
71.52212	7.0
72.08173	5.9
77.08447	4.7
79.05498	9.6
81.07051	14.4
83.04997	6.1
85.02897	18.2
85.06549	6.1
91.05478	12.5
93.07041	12.4
95.04971	10.4
95.08622	9.8
97.02908	11.2
97.06577	9.8
97.10202	6.2
103.05453	8.2
103.49974	4.3
105.07041	11.2
107.04987	9.4
107.08603	17.8
108.99308	4.1
109.06559	27.6
109.10184	15.1
111.04384	4.4
117.07045	5.7
119.08587	12.9
121.10138	8.9
123.08067	8.2
123.11691	5.3
125.09743	6.8
127.03975	8.0
127.94160	4.9
131.04935	29.5
131.08560	4.5
133.02908	5.3
133.10164	19.8
135.08067	17.0
135.11708	5.1
137.05992	32.2
137.09624	12.4
145.06512	4.4
145.10173	8.4
147.04372	6.5
147.11684	8.2
149.09610	4.5
151.07608	7.6
151.11230	5.0
159.11800	6.5
167.05606	5.4
173.13269	9.9
175.07544	11.7
179.07233	5.2
191.14310	25.9
201.05641	4.6
209.15402	24.0
291.10019	5.0
313.95615	4.2
423.78690	4.4
448.37582	4.8
503.18863	100.0
503.25558	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	503.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95174	1.2
53.03952	3.0
53.45154	1.3
55.01869	2.3
55.05526	1.7
57.03442	2.9
59.05015	2.6
61.02937	2.9
67.05513	3.1
69.03439	13.2
69.07069	4.6
70.01462	2.9
70.01859	2.8
70.35093	1.6
71.01367	3.6
71.05009	2.6
73.02902	1.6
73.04737	1.2
79.05494	2.5
81.03426	4.0
81.07082	6.3
82.07469	1.3
83.04971	1.4
85.02914	20.0
85.06522	1.9
86.09701	1.7
87.04462	2.1
91.05499	5.4
93.07082	2.9
94.04211	5.7
95.04999	2.1
95.08627	4.3
97.02890	6.9
97.10178	1.4
99.04465	2.8
101.68877	1.2
103.05483	34.0
103.28780	1.4
105.07053	7.1
107.04975	1.7
107.08616	3.8
109.02892	2.1
109.06538	4.5
109.10179	2.2
111.08103	1.5
113.02394	2.7
115.05470	5.5
117.07064	1.5
119.08624	6.3
121.10136	2.1
122.03683	8.0
123.08055	1.5
127.03963	4.6
128.06250	2.6
129.07010	3.3
131.04951	97.1
131.08621	2.6
132.05760	3.0
133.06538	3.3
135.08086	2.1
137.05998	100.0
141.01878	2.0
141.06995	2.7
145.04951	7.0
145.06564	2.8
145.10063	1.5
147.08083	4.1
149.06001	4.3
149.09636	2.0
151.07591	2.2
157.10182	1.9
159.08116	2.3
160.05280	2.8
161.06009	14.2
163.07626	8.4
165.09117	2.2
165.17055	1.3
167.07175	1.9
169.06487	1.8
175.07581	38.0
184.05212	2.1
187.07571	8.5
190.07846	2.2
191.08611	6.3
191.14346	1.5
199.07562	12.8
202.07837	3.9
203.08635	10.0
205.12305	1.6
219.08156	6.4
220.08836	3.1
231.08067	12.6
232.08813	1.7
237.18469	1.6
247.07596	5.8
248.08372	6.5
249.09227	2.4
251.10695	9.7
259.07507	7.7
260.08420	4.0
263.10739	7.2
265.08569	3.3
276.07880	5.4
277.08624	4.6
279.10095	10.5
280.10916	1.4
291.10214	18.3
292.11032	3.7
293.08316	2.8
295.13425	2.7
308.10550	1.8
309.11481	1.7
311.12817	18.7
317.08572	2.2
323.09512	1.5
323.12817	37.3
325.14301	2.1
419.09616	1.8
452.82803	1.4
503.21072	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	503.1894
Annotation	Tryptoquivaline I
Peak:m/z	Relative Intensity
60.68878	0.7
69.03432	1.3
70.16520	2.7
80.02040	0.8
81.07058	1.7
85.02908	1.3
85.06544	1.0
91.05490	1.2
93.07053	0.9
95.08629	1.2
97.02922	0.8
103.05479	1.9
105.07039	1.5
107.08586	0.8
109.06516	0.9
109.10177	1.5
111.08076	0.9
119.08629	0.8
131.04930	6.7
133.10074	1.0
137.05978	4.5
149.09770	0.7
157.10245	0.7
175.07584	1.8
191.14351	0.9
225.56964	0.8
276.45514	0.8
311.12817	0.8
390.09250	0.7
503.18930	100.0
504.19144	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	503.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	1.4
55.01873	1.7
57.03425	1.2
61.02923	2.1
69.03433	7.2
71.04994	0.8
71.51417	1.2
77.50550	0.8
79.05481	2.2
81.03403	2.8
81.07048	3.0
85.02909	14.0
91.05476	3.4
93.07026	1.6
94.04176	3.1
95.08585	1.4
97.02903	5.6
97.06505	0.9
103.05457	5.2
103.11722	0.9
105.07049	3.9
107.04944	1.3
107.08567	1.8
109.02885	1.6
109.06510	3.4
109.10140	1.2
115.05415	3.5
117.07028	1.0
119.05059	0.8
119.06055	0.8
119.08575	2.6
119.33630	0.9
121.10184	1.1
122.03647	8.1
127.03927	2.2
128.06239	2.0
129.06970	1.1
131.04930	9.1
132.05721	1.9
133.06476	2.6
137.05983	100.0
139.24071	0.8
141.06943	1.4
145.04965	2.4
145.06523	1.0
147.04449	1.5
147.08028	3.3
149.06030	1.0
159.08020	2.7
160.05194	1.7
161.05972	11.6
163.07539	5.0
171.08035	1.6
175.07561	34.0
184.05197	2.2
187.07590	6.2
189.09055	1.6
190.07742	1.8
191.08548	4.8
191.14236	1.7
199.07561	14.3
201.09160	1.0
202.07811	3.5
203.08551	7.6
207.35312	0.9
209.15303	2.1
215.08516	1.1
219.08118	7.8
220.08812	2.2
230.07193	1.1
231.08078	9.7
232.08853	1.8
233.09641	1.4
236.08344	1.2
247.07527	3.2
248.08281	5.2
249.08977	0.9
251.10619	6.6
259.07510	5.0
260.08301	2.1
261.09149	1.2
263.10699	6.7
265.08633	1.3
275.10190	1.1
276.07809	2.2
277.08545	3.7
279.10104	5.2
291.10165	13.2
292.10934	5.4
295.13321	1.8
308.10471	1.2
311.12799	15.8
323.12769	21.8
325.14359	1.4
503.19415	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.4108
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	9.7
55.31352	2.1
57.03439	15.6
57.07083	34.3
59.04992	3.5
65.38750	2.0
67.05510	94.1
69.07080	10.1
69.26794	19.2
71.04994	3.8
71.08630	23.7
73.04739	3.6
81.07055	22.1
83.08623	12.0
85.06561	3.4
85.10181	13.5
91.05413	2.9
95.08619	14.2
97.10202	3.1
107.08604	3.2
109.10165	84.0
111.08109	3.4
119.08588	5.7
121.10204	2.2
122.84696	1.8
123.11775	3.5
129.96576	1.9
137.09624	3.3
149.04439	2.0
155.10649	5.4
172.66238	1.9
173.11740	26.0
181.35271	1.9
229.14371	100.0
239.23750	3.1
288.34708	2.2
299.06366	3.2
313.27383	98.4
323.14731	2.0
337.00772	2.1
467.37378	54.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1879
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	2.4
53.91602	0.5
55.01878	2.7
57.03439	3.2
58.49513	0.5
61.02939	3.7
69.03438	18.8
69.14355	5.4
71.04996	5.7
72.08156	0.5
73.02908	1.5
79.05454	0.5
81.03428	22.4
81.07056	0.8
81.61732	0.5
85.02916	16.7
87.04465	1.1
87.75031	0.5
91.03960	1.5
91.05452	0.5
97.02902	6.6
99.04463	6.4
109.02869	2.2
111.04446	0.7
117.05474	1.3
121.10133	1.3
127.03929	3.9
133.07640	3.0
134.05997	0.7
135.09193	0.5
137.05972	0.8
145.04988	2.5
149.09642	6.5
160.07573	1.1
161.07135	6.1
163.08684	4.6
165.05511	0.6
167.10680	1.8
178.07327	0.8
179.08107	0.9
189.06642	6.5
191.08191	5.9
203.08229	0.7
207.07677	100.0
208.07959	1.6
219.07722	0.9
221.09152	0.9
229.09711	0.6
231.07675	0.9
247.10837	0.6
249.08734	1.8
259.10797	0.6
287.10583	0.7
293.17728	0.6
305.11456	2.5
323.12415	32.7
341.13489	84.8
342.13770	1.3
362.80603	0.5
393.93216	0.6
396.53479	0.5
398.62076	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
54.48116	0.6
55.01875	1.2
57.03437	1.4
57.30040	0.6
58.31966	0.7
61.02924	1.4
65.03948	1.2
67.05505	1.6
69.03431	3.1
70.06593	1.1
71.04969	0.7
71.51857	0.9
72.08169	0.9
73.02911	1.2
79.05491	3.2
81.03437	1.5
81.07047	2.7
85.02908	7.1
86.09711	1.6
87.04468	1.0
91.05488	5.1
93.07052	1.7
94.04183	4.6
95.04984	0.9
95.08584	1.7
97.02876	2.0
103.05478	2.3
105.03429	0.9
105.07047	7.2
107.04970	1.4
107.08592	1.0
109.06524	3.3
115.05465	4.8
116.06298	0.8
116.07183	0.6
117.07030	1.6
118.04172	0.9
119.04959	2.0
119.08580	2.0
121.10160	1.3
122.03679	6.6
127.03914	1.9
128.06226	1.7
129.07002	2.6
131.04942	2.9
131.08530	1.0
132.05725	2.4
133.06549	4.9
133.10103	1.5
135.11629	1.1
137.05991	100.0
138.06316	1.2
141.07033	0.8
143.04958	0.9
144.05730	0.9
145.05000	1.3
145.06496	1.1
147.04402	2.8
147.08089	3.5
148.04738	2.4
149.06017	2.4
151.03906	0.8
159.08070	3.2
160.05182	1.9
161.05995	13.7
163.07536	0.8
167.07097	1.2
171.07988	0.9
172.05211	1.5
173.13156	0.8
175.07565	30.2
177.09154	0.9
179.07043	1.1
181.04948	0.7
187.07573	8.3
189.09164	1.2
190.07857	2.3
191.08521	7.4
199.07588	8.9
202.07774	1.9
203.08572	5.9
205.06520	0.7
208.92529	0.7
217.08534	0.9
218.07301	1.7
219.08084	10.1
220.08842	2.6
231.08081	6.3
232.08908	1.6
235.07605	1.3
236.08281	1.7
247.07620	2.9
248.08287	2.5
251.10666	10.5
259.07587	3.0
260.08459	1.6
263.10699	3.2
265.08713	0.9
267.64612	0.8
276.07870	2.3
277.08740	3.0
279.10159	7.6
280.10861	1.4
281.08160	0.9
291.10181	8.8
292.10913	1.9
293.08063	1.9
295.13345	0.9
308.10394	0.8
311.12775	21.8
323.12817	15.2
323.18491	0.9
394.40359	0.7
503.18878	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	501.3944
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.9
55.05514	10.1
57.07073	4.9
59.04992	1.3
60.46928	0.7
62.97582	0.8
64.45745	0.7
65.03925	1.4
67.05511	12.8
69.03439	1.6
69.07073	18.8
69.64573	1.8
69.64980	3.8
71.04980	1.1
79.05496	11.8
80.10069	0.6
81.07061	23.9
83.04986	1.9
83.08624	7.0
85.06539	1.3
91.05489	12.8
91.42616	0.8
93.07053	39.8
95.04959	1.9
95.08614	39.6
97.06542	3.0
97.10172	4.5
99.08061	1.4
101.64124	0.8
104.94537	0.7
105.04505	0.8
105.07043	24.3
107.08604	52.2
109.06517	2.6
109.10162	22.3
111.08079	4.3
111.11731	1.2
113.09647	0.9
117.07011	2.9
119.08595	25.6
121.10149	45.7
123.08047	2.1
123.11714	15.9
125.09658	2.8
129.06998	2.2
131.08588	7.7
133.10138	21.4
135.08026	0.9
135.10701	1.6
135.11705	30.0
137.13249	8.4
139.11186	2.8
143.08565	6.1
145.10127	17.1
147.11696	24.4
149.09541	2.0
149.13272	52.9
151.11160	1.0
153.12784	1.1
157.10120	6.2
158.10907	1.3
159.11716	21.7
161.13275	12.5
163.11215	1.5
163.14819	4.6
167.14325	2.0
169.10152	1.0
171.11716	5.3
172.12347	1.0
173.13249	8.3
175.14818	6.3
177.16383	9.7
179.14276	0.8
183.11688	1.9
185.13289	8.2
186.14041	1.1
187.14842	12.7
189.16400	4.6
191.17949	6.6
195.17458	3.5
197.13321	1.9
199.14842	6.0
201.16386	28.3
203.17973	42.8
205.15941	2.0
211.14906	1.1
213.16402	10.2
215.17940	10.2
217.19427	2.3
220.29634	0.8
223.16928	6.2
225.16380	2.3
227.17908	11.0
228.18681	1.0
229.19566	4.2
233.19026	14.3
235.20592	1.1
241.19421	4.1
245.19006	2.0
251.20078	20.4
253.19528	2.0
255.21106	3.0
267.21063	2.1
269.22821	1.6
275.24374	0.9
279.23163	2.5
281.22699	1.9
283.24173	14.0
283.27133	1.0
288.01019	0.8
301.25601	0.8
308.28989	0.9
363.30420	1.1
381.31741	1.1
389.79596	0.9
405.35437	4.1
423.36249	100.0
424.36542	2.7
441.37408	10.8
501.38184	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74292	1.5
53.03938	2.2
55.01875	1.6
55.05508	1.7
56.66157	1.1
57.07058	1.2
66.04116	1.2
67.05489	3.2
69.03423	3.5
69.07067	3.7
70.22312	5.1
71.04998	2.0
79.05493	5.3
81.03415	2.1
81.07061	7.2
81.43388	1.5
83.04979	1.8
83.08624	2.4
85.02911	6.5
87.00806	2.9
87.68243	1.2
91.05460	6.8
93.07052	9.0
95.04947	2.1
95.08607	9.4
97.02880	3.0
99.04496	1.7
103.05475	10.5
105.01852	6.0
105.03440	2.3
105.07016	13.5
107.08605	13.7
109.02905	2.5
109.10165	4.4
111.08081	2.0
117.07034	3.7
119.08583	11.7
121.06487	1.8
121.10143	7.9
122.72188	1.3
127.03918	6.5
129.07051	2.5
131.04936	25.4
131.08569	26.5
133.10101	7.0
135.11723	7.9
144.09322	1.3
145.04926	2.4
145.10139	25.2
147.11668	3.1
157.10152	1.7
159.11729	16.7
161.13261	32.1
163.14806	2.8
173.13251	4.3
186.14272	1.3
191.18144	1.9
201.16388	100.0
219.17438	48.0
231.04999	2.6
403.10022	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58205	0.6
55.01876	3.9
55.39013	0.6
57.03443	6.6
59.04996	1.4
61.02933	6.9
62.06078	1.5
67.05489	0.9
69.03433	14.0
70.40968	1.5
70.41370	1.3
71.01355	2.1
71.04987	1.5
73.02921	30.8
79.05500	1.5
81.03410	4.0
81.07049	2.3
85.02910	38.8
87.00839	0.6
87.04471	1.9
89.57648	0.6
91.03963	1.1
91.05491	3.6
92.30428	0.7
93.07034	1.3
95.04977	0.7
95.08601	0.9
96.04462	0.9
97.02897	27.5
99.04449	2.4
100.74413	0.7
103.03952	1.8
103.05463	2.2
105.07048	3.2
107.08587	1.3
109.02866	3.7
109.10176	1.1
113.32204	0.7
115.03941	12.8
117.07019	0.8
119.08584	1.4
120.92653	0.6
121.10183	0.9
124.03970	7.5
127.03922	12.6
129.07021	2.5
131.04950	6.9
131.08575	39.6
132.08888	0.7
133.04987	13.8
133.10179	1.0
135.11693	0.8
139.07568	0.8
142.04938	4.0
145.04962	16.8
145.10112	5.5
147.11670	0.8
150.07600	1.4
156.09315	0.6
159.11711	1.4
161.40112	0.6
163.06067	5.7
171.11700	2.8
173.13274	100.0
174.13535	0.9
193.04962	0.9
199.06039	0.8
201.16417	1.5
205.10153	0.7
215.08615	0.8
217.06993	1.0
219.17447	0.8
223.06116	2.4
241.07034	3.6
259.08163	5.7
277.09357	0.9
287.16397	1.9
295.10461	1.5
304.13486	0.7
305.17422	1.5
322.14502	4.7
340.15451	1.5
352.16052	0.6
353.19528	0.8
371.18649	0.8
488.97998	0.7
502.18210	0.8
502.26996	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.2759
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25336	0.8
57.93955	0.7
64.65475	0.7
66.21716	0.7
67.05512	1.8
69.07059	1.5
71.51287	0.9
81.07079	2.3
83.60469	0.8
99.52713	0.8
110.65948	0.7
115.03714	2.4
120.96674	1.3
141.12474	0.8
176.99251	2.7
195.00336	100.0
306.27902	4.1
328.25940	1.2
335.85965	0.8
351.86017	0.8
500.27133	8.3
520.38263	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.3948
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	27.8
57.03433	14.1
57.07074	11.2
59.05001	6.0
65.03944	2.6
67.05508	92.5
69.07073	30.0
71.04975	2.4
71.08625	7.0
71.51904	2.8
79.05505	5.0
81.07041	16.9
83.08636	28.0
83.80065	2.2
85.10223	3.1
88.07626	3.0
88.36687	2.0
91.05492	6.2
93.07038	5.8
95.08626	11.4
96.43604	2.5
97.06532	2.5
97.10173	16.6
107.08566	4.3
109.10163	80.8
109.81989	2.2
111.08082	5.1
111.11729	4.9
119.08595	5.8
121.10140	3.6
137.09563	4.0
155.10686	9.2
173.11723	25.2
181.95605	2.2
229.14368	100.0
244.22566	2.4
283.26273	4.2
311.25830	81.7
333.98975	2.2
457.43292	2.2
465.35785	73.5
500.39090	3.4
500.46701	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	499.3272
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90326	2.2
53.03945	9.8
55.01876	4.2
55.05518	31.5
57.03241	2.1
57.03451	21.4
57.07072	9.3
61.02936	62.0
65.03934	4.9
67.05513	92.6
69.03436	38.6
69.07077	40.9
71.01349	5.1
71.05004	4.3
71.08641	6.2
71.51607	3.5
73.02928	32.3
79.05500	32.2
81.03428	27.2
81.07068	100.0
83.04967	7.9
83.08612	22.2
85.02434	4.7
85.02914	55.5
85.06532	3.3
87.04488	4.6
91.03963	40.3
91.05485	29.4
93.07053	39.9
95.04990	6.2
95.08617	81.7
97.02898	49.2
97.06536	8.8
97.10155	15.3
99.04470	8.3
99.08089	3.3
99.81652	2.3
101.02377	16.7
103.03962	7.3
105.07044	20.9
107.04933	3.3
107.08604	20.9
109.02914	13.8
109.06537	5.2
109.10165	37.6
111.04395	5.8
111.08102	4.2
111.11746	3.4
115.03925	4.8
117.05515	3.1
117.07079	3.3
119.08601	20.8
121.10147	20.2
123.11683	13.8
127.03929	23.4
129.05478	7.1
131.08565	9.5
133.06543	2.9
133.10175	17.2
135.11717	10.4
137.09622	2.6
137.13268	7.5
139.11183	3.1
143.08653	3.7
145.04980	10.1
145.06561	3.1
145.10139	5.7
147.11693	13.1
149.13264	7.5
151.11226	4.0
153.12784	2.8
159.06555	3.8
159.11752	3.7
161.05894	2.5
161.13297	9.8
163.14847	8.6
165.12842	4.1
173.13350	4.1
175.14883	8.7
177.16304	2.5
183.06546	7.5
185.13254	3.8
187.14778	3.1
189.12784	2.6
189.16322	3.7
191.14323	3.0
201.07585	4.0
245.22701	13.0
261.22162	4.4
263.23746	22.6
275.23807	3.3
303.23184	3.3
305.24680	3.3
337.27417	85.8
365.26862	4.7
371.25787	4.7
389.27002	4.7
463.30600	5.2
464.30664	2.9
481.31451	7.8
499.32822	19.8
514.96265	2.7
522.77905	2.7
529.00165	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	500.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34585	0.3
57.21405	0.2
66.04744	0.3
69.03426	0.3
69.89788	0.9
71.43311	0.2
76.02197	0.2
79.05493	0.4
81.03396	0.2
81.07076	0.4
85.02912	1.3
91.05450	0.6
91.32365	0.2
91.41745	0.2
94.03723	0.2
94.04195	1.8
97.02882	0.3
107.04963	0.4
109.02881	0.2
121.06495	0.4
122.03651	4.2
127.03860	0.3
137.05986	100.0
138.06334	0.7
147.04445	0.3
149.05959	0.7
151.07521	0.4
153.06993	0.8
179.07040	0.9
181.06413	1.2
213.09166	0.9
225.09134	0.3
241.08612	1.1
253.08740	0.6
273.11234	3.6
285.11234	1.6
303.12393	0.9
430.04987	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.218
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79600	0.8
53.03947	1.2
55.01870	1.5
55.05520	1.7
57.03430	1.3
61.02935	1.6
67.05506	2.3
68.99796	1.0
69.03078	1.5
69.03433	16.4
69.07066	1.5
69.55317	0.9
70.06591	1.7
71.05000	2.5
71.18789	1.7
72.80415	0.9
73.02909	1.3
79.05485	2.4
81.03424	6.9
81.07060	2.6
83.04990	4.2
85.02916	15.6
87.00832	5.7
91.05498	4.1
93.07047	3.8
95.05000	1.3
95.08620	3.0
97.02900	5.4
99.04462	3.0
103.05489	1.4
105.01866	3.2
105.07040	7.9
107.08616	9.5
109.02908	5.8
109.06561	1.7
109.10186	3.2
111.08077	1.8
117.01874	0.9
117.07024	1.7
119.08587	6.2
121.06516	7.4
121.10151	4.2
123.08074	2.6
123.11758	1.2
127.03912	7.0
131.04964	3.7
131.08594	8.5
133.06509	1.0
133.10138	23.2
135.08080	8.2
135.11671	0.9
137.09566	1.0
143.08546	4.4
145.04961	4.3
145.06496	1.0
145.10149	9.2
146.07295	3.1
147.08031	3.3
147.11702	2.3
149.09694	2.9
149.13297	2.8
156.09247	1.3
157.10164	3.2
158.10921	2.9
159.08061	4.9
159.11720	2.5
160.08823	1.1
161.09631	78.5
161.22672	0.9
162.09914	1.4
163.07579	1.6
163.14815	0.9
172.08760	1.1
172.12248	1.0
173.09648	6.4
173.13271	19.7
175.11227	6.8
178.25945	0.8
179.10637	5.2
182.10915	2.4
187.11153	1.5
187.14827	9.4
189.12743	5.3
191.14322	31.9
197.13264	4.4
200.12192	1.0
215.14337	38.1
216.14696	1.5
231.04941	2.1
233.15375	100.0
234.15721	2.1
251.16446	80.9
252.16791	0.9
289.05270	1.6
291.72150	0.9
388.09344	1.0
455.22778	1.9
481.20712	2.0
499.08557	2.6
499.21609	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	499.3271
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	8.3
55.01873	8.7
55.05516	32.1
57.03443	29.0
57.07077	7.2
60.08171	10.7
61.02932	80.0
61.08508	2.9
65.03955	3.6
67.05510	97.5
69.03436	39.7
69.07071	33.7
70.64069	4.2
71.01352	6.9
71.05006	5.6
71.07370	5.2
71.08617	2.7
73.02924	33.6
73.51518	2.4
79.01379	2.6
79.05495	33.5
81.03426	27.4
81.06590	4.9
81.07065	91.9
83.04975	6.7
83.08626	23.5
85.02917	73.4
85.10203	3.7
86.09711	24.4
87.04475	4.1
87.10049	10.4
91.03963	48.1
91.05486	24.2
93.07052	34.1
95.04964	6.5
95.08615	77.9
97.02900	62.4
97.03530	3.9
97.06523	4.8
97.10168	12.9
99.04465	11.4
99.08169	2.8
101.02406	15.9
103.03966	9.7
104.10754	47.2
105.01360	2.4
105.07051	13.4
105.11084	20.6
105.94685	2.6
106.11250	2.9
107.08594	13.4
109.02907	11.6
109.10162	30.8
111.04475	4.0
111.08080	5.2
115.03947	5.8
117.05515	2.7
117.07021	4.0
119.08624	14.1
121.10139	17.4
123.11710	12.3
125.00076	11.2
127.00432	5.6
127.03946	27.8
129.05475	6.0
129.20641	2.2
133.10178	16.4
135.11725	12.0
137.13283	7.0
145.04997	8.6
145.10104	3.6
147.11717	9.3
149.13318	6.5
151.11206	2.8
151.14836	3.1
153.12799	3.2
159.06587	4.2
161.13234	11.3
163.14845	11.1
165.12825	4.3
165.16331	3.7
175.14856	8.2
183.06581	4.3
184.07373	30.1
185.07707	17.2
186.07802	25.4
187.08104	4.4
187.14810	3.1
189.16455	3.6
201.07603	5.6
245.22568	13.8
261.22235	2.9
263.23734	24.8
337.27393	100.0
338.27560	3.0
365.26697	4.9
371.25766	7.1
376.08182	2.3
445.55515	2.6
464.30847	2.6
481.33044	4.3
489.86102	2.7
499.34485	28.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.116
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29115	1.3
54.42950	1.3
56.96571	5.4
57.03424	2.4
62.24879	1.1
69.03430	5.2
70.34614	2.9
71.01349	1.2
73.02918	2.4
77.29239	1.1
81.03414	2.0
82.99893	4.1
84.96033	1.5
85.01431	1.5
85.02915	7.5
88.51242	1.1
94.99847	1.7
97.02898	5.4
98.97585	19.8
101.00886	25.7
101.01499	2.1
103.00639	2.0
103.02462	3.6
105.06987	1.2
109.02905	2.0
110.97580	4.6
112.99168	1.9
113.00890	8.3
116.98634	5.3
119.01939	29.4
121.03506	1.7
127.02438	17.3
127.03912	3.1
128.98628	5.0
131.01920	22.7
133.03481	2.7
137.00912	1.7
137.02975	1.8
139.02426	5.2
143.00197	3.5
143.01901	30.9
145.01743	2.2
145.03476	47.8
145.04729	2.3
146.03670	1.3
146.99641	1.7
147.01384	3.5
147.04372	2.7
149.01242	2.3
149.03000	1.6
153.04007	1.5
155.01915	38.7
156.98047	1.5
157.03482	22.2
158.99631	7.4
159.03247	1.6
161.01460	2.0
161.02985	22.7
163.02621	1.7
163.04553	4.9
167.01941	15.9
169.03450	9.0
170.99721	3.9
171.01413	9.9
171.05084	4.3
171.51634	1.4
173.02983	46.9
174.99188	2.4
175.00833	2.5
175.04570	6.3
177.00822	2.1
179.02028	8.1
181.03542	2.9
181.05420	1.2
182.99727	1.9
183.01367	2.6
184.05788	1.4
185.02968	48.1
187.04506	5.2
189.00847	2.5
189.02382	8.0
191.02306	1.6
191.03987	3.1
193.00267	1.9
196.01425	1.8
197.02977	19.0
199.00893	5.2
199.04549	3.5
201.00716	5.2
201.02499	3.0
201.06166	1.5
203.02275	2.1
203.04053	13.0
205.05573	2.2
208.04608	1.4
209.03162	3.9
215.04039	12.1
217.01970	59.9
217.05426	2.3
219.01811	5.4
220.02541	3.6
221.03316	2.6
221.05093	6.6
223.06648	4.2
224.02734	1.3
225.02396	1.8
227.04094	10.1
229.01903	8.5
229.05638	2.5
234.06624	1.4
235.03035	14.0
237.02852	4.2
239.04274	4.2
241.03229	1.5
245.05098	100.0
246.05379	3.1
247.02928	14.0
247.06805	2.6
257.05112	14.8
261.02820	6.9
263.03467	1.4
263.06186	9.8
265.03833	1.4
275.06183	15.9
277.04044	23.0
279.04074	2.1
291.03815	1.8
293.07150	3.2
301.04013	12.7
305.07251	8.7
307.08798	3.8
317.04791	2.2
319.01215	2.3
319.05121	23.9
319.08807	2.6
321.04987	2.7
323.06540	2.4
335.08365	3.9
337.06201	28.6
337.09998	2.6
353.07675	3.9
365.09503	9.0
367.10968	1.9
383.08569	1.5
480.27121	1.5
481.10193	2.1
499.11337	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	497.4205
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39056	3.7
55.05519	71.8
57.03424	4.5
57.07083	80.5
63.17619	3.7
67.05506	49.3
67.38779	3.6
67.48692	3.8
69.07074	77.9
71.04991	5.5
71.08640	52.8
71.51850	5.2
73.06555	5.2
73.43018	3.6
79.05488	15.2
81.07065	72.4
83.08630	80.0
85.06548	6.4
85.10197	30.0
86.79396	3.2
89.06049	10.6
91.05499	5.6
93.07043	29.9
95.08616	70.7
97.06535	19.5
97.10176	24.8
99.08110	4.6
107.08611	28.4
109.10161	30.9
111.08079	11.4
112.92758	4.4
118.61353	3.2
119.08565	4.4
121.10133	13.4
123.11714	10.6
125.09705	4.1
125.13244	4.1
137.13318	6.9
140.45918	3.8
149.13275	55.8
167.14355	41.0
176.73248	3.2
178.11584	3.5
178.35197	3.8
185.15382	11.1
203.76776	3.2
239.23669	31.9
241.17989	39.2
313.27219	8.1
497.35880	12.4
497.42130	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.363
Annotation	Oncostemonol G
Peak:m/z	Relative Intensity
52.73587	1.9
54.57552	1.7
57.07061	2.1
67.05511	5.9
69.07061	6.8
79.05506	6.8
81.07062	10.8
89.06026	10.7
91.05505	6.7
93.07042	7.3
95.08611	14.7
97.06516	2.9
105.07047	11.3
107.08601	13.5
109.06557	1.9
109.10143	9.7
119.08596	25.0
121.10151	11.1
123.11692	3.2
125.06009	6.4
131.08601	4.1
133.08598	4.3
133.10146	18.6
135.08095	3.2
135.11707	7.0
136.34424	1.9
139.07552	4.2
143.08574	2.7
145.10146	12.3
147.11678	15.7
149.09599	2.0
157.10132	2.8
159.11740	4.3
161.09631	2.2
161.13263	3.5
171.11656	2.5
173.09666	4.9
173.13329	3.3
175.11232	7.5
177.09099	2.9
187.11195	6.9
187.14893	6.9
189.16396	100.0
191.10669	3.4
197.13232	3.1
201.16353	2.3
205.15933	3.8
207.17467	2.8
211.14903	2.5
215.14310	16.2
229.15906	44.3
231.17496	7.0
233.15381	45.9
233.17531	4.1
237.33653	1.9
247.16942	20.1
249.18521	25.9
283.17566	2.3
412.46851	2.2
419.32870	5.3
437.34140	10.6
479.35132	19.4
495.08389	2.0
497.36218	56.0
498.37204	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.3628
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	5.6
57.07084	6.3
61.78550	1.0
67.05502	7.0
69.07069	8.5
70.25663	3.8
71.08627	3.6
75.50813	1.1
79.05491	3.8
81.07063	11.4
83.04979	1.1
83.08621	4.4
85.10180	1.8
89.06039	3.6
91.05485	2.6
93.07046	5.5
95.08606	17.8
97.10165	2.9
101.06078	1.1
105.07035	6.4
107.08588	8.7
109.06561	1.5
109.10170	6.7
111.08082	1.4
111.11728	1.5
119.08585	6.9
121.10139	5.2
123.11714	2.8
127.79858	1.1
131.08565	4.1
133.08623	1.6
133.10150	8.3
135.08047	1.5
135.11707	1.1
137.13269	4.4
143.08611	2.9
145.10147	5.4
147.08063	1.3
147.11707	3.9
149.13287	4.7
157.10204	1.7
158.10927	2.0
159.11711	5.6
161.13264	3.6
167.14391	3.0
169.10129	1.3
171.11716	1.9
173.13278	8.7
175.11197	1.5
178.11600	1.2
182.11078	1.0
185.13347	2.1
187.14819	4.5
189.12938	1.5
197.13318	2.7
199.14841	1.8
201.12834	1.7
211.14867	2.4
215.14342	1.3
237.16524	1.4
241.17949	1.4
246.52991	1.1
248.15907	1.4
251.14348	2.0
253.19662	1.1
261.14856	3.4
263.17929	3.0
281.18988	4.1
284.17862	1.5
401.31976	2.2
419.33224	4.3
437.34177	13.7
479.35229	100.0
480.35284	3.9
497.35944	12.6
497.43185	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	497.2
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	2.4
61.23301	0.5
64.66895	0.5
67.05499	1.0
69.03430	1.6
69.07097	0.7
71.04996	0.6
71.40692	0.8
79.05479	0.9
81.07074	2.7
83.04991	4.3
83.08635	1.3
84.08157	0.6
85.02921	1.9
85.06543	0.8
91.05492	1.0
93.07038	1.1
95.04958	1.0
95.08618	1.7
97.06580	1.0
97.10200	1.3
97.30264	0.5
99.04470	0.6
105.07042	1.2
107.08602	2.8
109.02920	0.9
109.06523	1.2
109.10162	1.8
111.08034	0.8
119.08583	1.2
121.10171	1.2
123.11717	0.7
125.09653	1.5
127.03927	0.9
131.04945	1.0
131.08597	0.6
133.10149	1.7
135.08069	0.7
137.05965	1.0
137.66388	0.6
145.10178	1.1
149.09628	0.5
151.11188	2.1
153.12730	1.5
159.11787	0.6
161.13290	1.0
167.14319	5.7
173.13199	0.6
177.12767	0.6
203.10768	0.5
209.15385	3.4
231.13585	2.2
245.06363	1.3
249.14650	11.5
289.05353	4.2
291.15652	0.6
335.22311	1.0
411.19904	14.7
453.21057	25.5
465.10114	1.4
467.19025	1.9
497.19986	100.0
498.20300	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.3633
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	2.1
57.07071	1.5
59.54054	0.8
61.62722	0.8
65.03960	0.8
67.05502	3.3
69.03429	1.1
69.07085	7.3
71.08637	1.2
71.51888	1.5
79.05489	3.8
81.07074	7.1
83.08620	4.4
89.06028	1.0
91.05476	6.1
93.07053	11.7
95.08617	12.1
97.06512	1.6
97.10186	2.1
105.07029	13.2
107.04970	1.9
107.08614	28.3
109.06519	1.9
109.10170	4.0
115.05461	1.6
115.42802	0.8
116.06202	1.3
117.07043	1.8
118.71183	0.8
119.07718	1.2
119.08593	23.5
121.06498	2.6
121.10163	15.0
123.08125	1.1
125.05959	1.5
131.08588	6.4
133.10149	14.4
135.08080	10.4
135.11711	11.0
139.11185	0.9
144.93141	0.8
145.10133	7.2
145.54568	0.8
146.10924	1.0
147.11700	13.6
149.09653	9.4
149.13283	1.4
157.10168	1.3
159.11734	1.9
161.13272	3.7
163.07547	9.7
163.11183	1.3
163.14851	24.0
173.09677	2.7
173.13319	1.2
173.41574	0.9
177.16440	3.3
187.14874	4.4
189.16412	77.1
194.01860	1.0
197.13370	1.0
205.14084	1.2
205.15939	15.8
215.14403	1.7
223.35623	1.0
231.17523	1.6
233.15398	100.0
234.15637	1.8
249.12282	1.1
249.18506	7.5
251.16434	9.8
261.18494	2.6
267.35269	0.9
282.10974	0.8
419.33020	1.9
436.59537	0.9
437.34283	6.7
497.30060	1.4
497.36337	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	497.1999
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	1.6
57.03442	0.7
57.07071	0.5
62.24174	0.6
67.05499	1.7
69.03426	2.2
69.07068	1.5
70.63427	1.4
79.05486	1.8
81.03421	1.2
81.07067	2.8
83.04977	1.5
83.08646	0.6
85.02895	2.4
85.06551	1.1
86.09709	0.6
87.04470	0.8
91.05495	0.9
93.07050	2.3
93.53978	0.6
95.04980	1.2
95.08611	2.1
97.02882	1.6
97.06516	0.9
97.10188	2.1
99.04456	0.7
103.05466	0.9
105.07031	2.3
107.08605	2.0
109.06506	1.2
109.10176	2.6
111.04443	0.8
111.08119	0.8
119.08593	1.9
121.06499	1.0
121.10155	1.4
123.04496	0.6
123.08061	1.2
123.11693	0.7
125.09666	1.0
127.03925	0.7
131.04031	0.5
131.04945	2.0
131.08583	1.1
133.10153	0.9
135.11682	1.0
137.05966	1.0
137.09607	0.8
139.11292	0.6
145.10138	1.3
147.11688	1.1
149.09601	1.0
151.07478	0.9
151.11174	0.6
157.10168	0.8
159.11690	1.4
161.09676	1.4
163.11238	1.3
165.12779	0.9
167.14359	1.0
168.75812	0.6
171.11650	0.9
193.12314	0.7
200.69453	0.5
212.20851	0.6
231.13699	1.8
249.14661	5.8
273.42007	0.6
277.14139	3.8
289.05334	1.0
317.21332	1.5
335.16016	0.9
335.22238	1.2
367.17203	1.2
393.18732	1.5
409.18628	1.4
411.19989	11.2
435.20419	0.9
453.21005	44.0
454.21185	1.3
461.25043	0.6
497.19986	100.0
498.20569	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	497.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	6.0
54.25746	0.9
55.01872	4.0
55.28647	0.9
57.03438	5.5
61.02916	4.2
67.05511	1.3
68.99791	3.1
69.03434	24.2
69.07090	1.5
69.25632	3.5
69.26060	5.5
71.04993	3.0
73.02925	6.0
79.05481	1.7
81.03424	27.9
81.07054	1.9
85.02912	36.7
87.00838	17.2
91.03982	1.2
91.05482	3.5
91.95836	1.0
93.07059	1.8
95.04950	1.0
96.76598	1.0
97.02903	15.7
99.04468	9.9
103.05462	2.7
105.01860	12.4
105.07017	3.4
107.04952	2.7
109.02891	20.1
115.05453	4.5
116.06316	1.1
117.01864	3.6
117.07027	5.7
127.03926	33.6
128.06245	4.3
129.01886	4.8
129.07007	6.2
130.07759	2.8
131.04941	6.5
131.08571	5.4
132.05750	2.5
133.06471	1.1
133.10059	1.3
137.05934	1.2
141.07008	13.0
143.08575	5.7
144.05714	6.2
145.04970	9.9
145.06514	12.5
145.10118	5.0
147.02885	2.3
147.04433	1.3
153.05434	1.5
153.07019	1.5
155.06039	3.3
155.08569	3.2
157.06532	2.7
158.07304	11.4
159.02895	13.5
159.08080	7.0
160.05170	1.7
161.05928	1.2
161.09604	2.4
167.07097	3.1
169.06462	5.5
169.07718	1.7
171.08049	3.2
172.05164	1.4
173.06017	4.9
173.08287	1.6
173.09653	17.8
177.05457	3.5
186.06767	1.9
187.07555	5.5
188.07890	1.2
189.09100	2.6
190.06189	1.6
191.07104	1.6
192.07826	9.7
201.09120	32.6
201.10973	2.1
202.09676	1.9
203.07074	2.9
204.07768	2.2
205.08597	5.0
213.03998	1.4
216.07848	1.2
217.08493	1.6
218.09329	1.8
219.10159	2.1
219.52930	1.0
231.05049	4.4
231.10126	1.6
233.11739	100.0
234.12016	1.7
247.09714	1.3
249.11237	39.2
277.56363	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.3399
Annotation	PC(16:0/0:0)[U] / PC(16:0/0:0)[rac]
Peak:m/z	Relative Intensity
56.05029	1.2
57.07080	2.6
58.06606	0.9
60.08168	16.0
67.05523	0.8
69.07049	0.5
69.51377	3.7
71.07376	5.5
71.08641	2.5
81.07040	0.7
85.10184	1.4
86.09709	48.1
95.08602	1.0
98.98470	3.9
104.10747	100.0
112.28593	0.5
121.56456	0.5
125.00008	28.9
138.63028	0.5
159.39438	0.5
184.07347	99.0
263.87955	0.5
313.27478	1.9
431.66483	0.5
478.32803	10.1
496.33987	25.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.3401
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	0.1
56.05033	0.5
57.03431	0.2
57.07085	0.8
58.06363	0.2
58.06631	0.4
59.73480	0.1
60.08166	6.2
67.05495	0.2
69.07068	0.2
71.07378	2.8
71.08645	0.6
71.16307	0.1
71.16643	0.2
80.60741	0.1
81.07074	0.3
83.08591	0.2
85.10199	0.2
86.09709	30.1
87.10047	0.2
95.08630	0.3
98.98469	3.0
101.94292	0.1
104.10751	3.1
125.00011	20.8
128.36223	0.1
144.32266	0.1
178.14206	0.1
184.07349	100.0
185.07684	0.5
186.07790	0.1
224.94180	0.1
258.11005	0.2
265.05801	0.1
313.27359	0.2
399.30420	0.1
409.32516	0.1
478.32959	1.0
496.34122	1.9
497.33990	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	496.2398
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	21.8
57.03443	7.1
59.04975	8.2
60.04515	8.5
62.50344	6.0
67.05499	18.0
69.03452	14.9
71.05005	8.8
71.51730	12.9
79.05469	11.5
81.07053	13.4
83.04990	100.0
83.80333	6.3
84.04504	7.4
85.02898	27.1
85.06538	10.4
91.05477	18.3
93.07038	18.3
95.04990	11.5
95.08618	22.7
97.02885	17.1
97.06522	10.1
105.07034	20.8
106.07330	6.9
107.04954	7.8
107.08617	11.2
109.06516	15.6
109.10142	7.6
117.07049	8.3
119.08580	12.0
121.02864	19.6
121.06499	7.4
122.06042	6.2
123.04455	22.2
123.08103	12.7
129.06989	8.0
131.08589	33.1
135.08020	10.6
137.06013	9.9
137.09639	8.8
143.08525	12.7
147.08061	25.9
149.06038	10.0
149.09631	11.0
151.07614	8.0
153.05577	7.9
157.06471	7.6
159.08089	27.7
161.65599	6.2
163.07555	19.7
163.11201	8.8
165.09052	10.6
175.07552	42.9
177.05630	7.6
177.09142	51.8
185.08147	15.0
185.09673	7.3
188.85245	6.3
189.12849	8.3
193.08621	83.8
195.10196	10.6
201.54456	6.9
205.08606	29.2
205.12308	9.9
217.12273	16.2
223.09654	38.8
233.11777	28.9
235.13332	10.1
241.10699	18.3
245.11708	7.6
251.12793	11.1
262.98364	6.1
263.12793	61.9
269.13882	13.8
281.13849	40.7
299.14890	93.5
317.16016	89.0
466.16818	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	496.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	1.3
55.01870	1.0
56.96559	1.2
57.03461	1.7
59.05009	1.1
61.02924	2.9
69.03441	8.8
69.88896	2.0
69.89305	3.1
70.06594	1.4
71.01347	1.1
71.04980	1.9
72.08155	1.2
73.02915	1.4
81.03412	3.1
81.07040	1.7
84.08154	1.0
84.96049	1.2
85.02914	34.5
87.04469	1.5
91.03971	1.6
91.05495	13.8
95.04978	2.5
97.02905	11.7
98.21446	0.9
98.97614	4.6
99.04462	2.0
104.48022	0.8
109.02888	3.0
109.06496	1.1
110.07172	1.0
110.97581	1.4
119.04967	10.8
119.29157	1.0
120.39367	0.9
121.06515	1.0
126.35207	0.9
127.03933	9.5
136.07596	1.0
137.05991	100.0
138.05501	2.9
145.04973	10.4
149.06038	1.3
151.07578	1.5
155.07024	9.5
158.62410	0.9
158.99684	1.9
161.05965	1.1
163.06026	2.6
165.05513	1.0
167.07025	1.9
177.09113	1.3
179.07066	4.4
182.99635	1.5
197.81656	0.9
200.05890	1.4
201.00638	1.6
203.07121	2.8
213.11244	1.1
217.08623	1.1
218.06847	1.1
221.08093	2.4
233.08115	0.9
244.31491	0.9
245.08223	1.3
257.09357	2.0
263.09155	5.2
281.10266	2.5
298.95096	0.9
299.57755	0.9
390.58829	0.9
390.64450	1.2
486.85568	1.0
499.67987	1.2
507.28680	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.4048
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	35.6
55.92911	10.8
57.07073	71.3
67.05511	60.0
69.07061	47.7
71.08631	44.0
71.52051	19.0
76.06405	11.4
79.05466	13.3
81.07072	96.1
83.08611	18.7
85.06551	12.7
85.10148	13.4
87.47139	11.0
89.06049	14.8
92.47681	11.0
93.07046	23.7
94.65777	12.5
95.08617	100.0
97.10204	13.5
99.04492	15.4
105.07047	16.5
105.07706	11.6
107.08585	19.8
109.06485	15.2
109.10190	33.9
110.13278	10.6
113.05997	13.6
119.08563	16.2
123.11703	12.9
125.06000	12.5
127.07552	37.0
137.32458	13.5
139.07562	97.3
147.11723	14.9
177.09131	15.1
327.07385	12.8
332.15717	13.0
388.01541	16.3
445.36755	32.8
477.39444	93.6
495.40726	89.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67290	1.2
52.89837	1.5
57.03427	2.7
67.05480	1.5
69.03434	14.2
70.96181	3.4
74.34812	1.3
81.03408	2.5
81.07053	1.4
85.02908	11.9
87.04459	4.9
91.05468	1.8
93.07043	1.8
97.02887	12.5
97.90656	1.7
97.96861	1.2
109.49644	1.2
110.03663	5.1
111.04479	1.8
111.76964	1.3
115.03932	8.7
121.02839	2.0
125.06003	19.3
127.03914	2.0
133.04971	8.6
137.05983	2.8
139.03940	3.2
145.04933	2.1
152.04762	1.4
153.05478	40.3
154.06259	15.6
155.03394	2.0
155.07088	1.6
166.06346	1.6
167.07025	6.9
170.05754	9.7
177.05531	1.6
178.06297	5.2
179.06985	1.6
181.08604	2.7
182.05788	3.9
185.08107	100.0
186.08481	1.5
194.05821	8.2
197.08142	6.6
209.08119	20.6
217.43163	1.5
221.08134	1.9
227.09114	15.7
251.09172	6.2
257.54919	1.4
263.09119	5.7
281.10257	12.5
299.11261	2.4
367.32764	1.5
520.81555	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.3479
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77658	1.0
54.34888	1.2
57.07085	5.9
57.52063	0.9
58.06588	2.7
59.55810	1.0
62.86259	1.0
65.03942	1.6
68.75043	0.9
69.07051	1.2
70.06261	1.5
70.06598	17.8
71.08634	1.8
71.26502	2.2
72.08157	1.1
78.54286	1.2
85.10145	1.1
88.07635	19.1
93.07047	1.8
99.04421	1.9
102.09190	15.3
149.02354	54.0
149.03410	2.2
171.80246	1.0
182.22453	1.0
193.04990	51.1
200.20084	4.5
202.69133	1.2
208.89934	1.0
222.23579	1.2
224.02458	1.2
237.07576	57.5
260.17639	1.1
284.29483	46.7
328.32050	2.3
445.05527	1.1
469.11819	1.2
494.34647	100.0
495.35059	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2961
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62912	0.7
52.36872	0.7
53.03951	1.3
55.01883	1.4
55.05520	13.0
57.03446	3.8
57.07094	1.4
61.02931	1.6
65.03945	1.6
67.05515	32.5
69.03435	2.1
69.07079	18.0
70.90817	1.7
71.05004	4.5
73.02927	2.0
73.06570	1.0
79.05504	24.5
81.03441	2.1
81.07066	100.0
83.05000	7.2
83.08624	9.7
85.02914	2.5
85.06564	7.0
91.05492	29.3
91.78713	0.8
93.07061	15.6
95.04991	3.1
95.08615	19.8
97.02930	1.1
97.06540	6.4
97.50926	0.7
99.04441	1.1
99.08092	3.9
101.06051	1.9
103.05482	1.2
104.23676	0.8
105.07045	44.0
107.05022	0.7
107.08615	14.2
109.06514	5.7
109.10186	2.1
111.08103	1.1
113.06007	0.9
115.07578	1.3
117.07045	1.8
119.08598	34.0
121.10155	22.5
123.08097	4.3
123.11722	33.7
125.09622	1.0
127.07594	3.1
127.79704	0.8
129.07048	1.3
131.08601	3.1
133.10164	2.9
137.09607	1.4
137.13287	3.5
141.09213	1.4
145.10164	2.3
147.11705	72.3
148.12062	1.7
155.08499	0.8
157.10252	1.5
159.11751	1.7
165.12776	36.2
175.11275	1.9
183.13777	5.6
193.12332	2.2
211.13380	1.7
229.14351	5.8
267.15955	41.5
285.17139	2.1
333.24179	1.0
449.29214	1.8
459.27493	1.3
477.28580	5.9
495.29590	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	495.2957
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.9
55.01873	1.3
55.05270	1.2
55.05516	15.4
57.03430	2.6
57.07072	1.7
59.05002	0.9
65.03937	2.9
67.05508	32.7
69.03429	2.1
69.07072	14.1
70.90122	1.9
71.04993	3.7
73.02899	1.0
73.06560	1.1
79.05502	23.6
81.03403	1.6
81.07061	100.0
82.14575	0.8
83.04998	6.4
83.08620	8.1
85.02911	2.2
85.06550	8.1
87.04476	1.0
91.05485	30.2
93.07047	16.9
95.04976	2.3
95.08616	20.5
97.06527	7.3
97.10187	1.4
99.04453	1.2
99.08100	3.2
101.06042	1.5
103.05476	1.1
105.07037	46.9
107.05007	0.8
107.08591	14.5
109.06523	5.3
109.10175	1.8
111.04452	1.3
111.08112	2.3
111.69240	0.7
113.06010	1.0
117.07027	1.9
119.08588	34.4
121.10149	25.7
123.08104	4.1
123.11710	35.2
127.03931	0.9
127.07582	3.5
129.07001	0.9
131.08591	1.9
133.10149	2.7
136.97534	0.8
137.09653	1.0
137.13290	3.5
141.09171	1.9
145.10210	2.1
147.11697	76.4
148.11980	0.9
157.10164	1.7
163.11270	0.8
165.12762	37.8
175.11256	1.3
183.13824	4.9
193.12292	1.7
211.13351	1.9
229.14272	6.2
267.15936	43.4
285.17087	3.4
388.64374	0.8
397.26892	1.0
449.29221	2.9
459.27612	1.1
477.28644	7.4
495.29742	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	495.4043
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.2
55.05513	13.8
55.65293	0.9
57.03443	1.0
57.07080	53.7
65.03943	2.8
67.05508	62.4
67.88129	0.9
69.07070	23.3
71.05009	7.5
71.08241	1.6
71.08635	31.0
71.52596	1.7
78.42652	0.8
79.05502	14.1
81.07059	97.9
83.04961	2.2
83.08146	1.5
83.08621	16.7
84.20185	0.8
85.06550	16.5
85.10186	16.4
89.06017	1.6
91.05480	7.5
93.07049	7.0
95.04985	0.9
95.08611	100.0
97.06524	2.5
97.10185	7.4
99.08087	3.1
105.07030	5.7
107.08591	2.8
109.10162	12.1
111.11725	1.4
119.08588	5.5
121.10162	4.0
123.11724	9.9
125.13287	1.0
137.13231	6.6
147.11687	16.4
151.14799	1.0
152.06241	1.5
153.06969	1.7
165.12776	11.6
183.13823	5.6
201.14931	2.4
221.22673	0.9
233.03665	1.9
239.23715	8.3
251.04674	1.4
279.75510	1.0
290.90457	1.1
327.07806	19.3
335.67148	1.1
340.92148	1.0
383.13998	6.8
403.78983	0.9
439.20462	12.0
495.26871	12.4
495.40469	92.5
496.40564	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2962
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	6.7
55.01867	7.1
55.05518	24.0
57.03444	15.1
59.05001	2.5
65.03925	3.5
67.05511	45.9
69.03433	9.4
69.07072	12.2
69.07643	1.9
69.23927	7.0
69.24349	11.4
71.05002	9.0
79.05499	41.0
81.03423	100.0
81.07061	46.2
83.04987	20.7
83.08627	38.0
85.02911	53.4
85.06546	3.8
91.05487	53.3
93.07050	30.5
95.04966	40.8
95.08610	21.4
97.02897	7.4
97.06512	5.1
97.10181	8.7
98.21528	3.3
98.97602	1.9
99.04463	2.5
99.08093	2.6
103.05479	3.0
105.07039	37.6
107.04969	9.9
107.08601	14.1
109.06528	10.1
109.10194	6.3
111.04453	5.3
111.08113	17.9
113.06004	7.1
115.05479	3.7
117.07047	5.0
119.08597	28.6
121.06554	5.2
121.10150	18.8
123.08086	7.8
123.11733	3.9
124.03996	3.4
125.09650	4.5
129.07031	20.0
131.04965	4.1
131.08578	15.7
133.06512	5.0
133.10132	14.2
135.11737	4.0
137.06030	3.5
137.09669	4.6
137.25694	1.9
142.07791	5.5
145.10152	5.3
147.08067	7.1
147.11723	24.4
149.09630	8.1
149.13243	2.5
151.03882	2.1
155.08615	2.3
157.10155	21.0
159.11687	2.1
163.11240	2.9
165.09148	5.9
165.12808	5.8
166.09491	3.3
167.07138	2.4
173.13167	2.9
175.11211	27.7
181.12331	1.8
184.07462	2.6
187.07521	1.9
193.10452	4.3
193.12256	89.5
211.13298	96.2
212.13608	2.5
233.09753	2.4
267.15967	6.7
273.14984	2.5
285.17114	3.2
385.23807	2.7
459.27887	3.6
464.18155	5.4
477.28339	6.1
495.16830	4.3
495.29623	77.2
496.30112	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	494.3247
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	0.5
56.05036	0.4
57.03444	0.2
57.07063	0.3
58.06629	0.4
59.07413	0.3
60.08167	6.1
67.05508	0.3
69.07076	0.5
71.07375	3.4
71.25072	0.3
79.05502	0.2
81.07063	0.4
83.08614	0.3
86.09711	29.2
92.00149	0.2
93.07043	0.2
95.08627	0.4
98.98469	3.1
104.10748	2.9
107.08605	0.2
111.13010	0.2
121.10143	0.3
121.23510	0.2
125.00012	22.2
143.01073	0.2
149.02399	0.4
160.05872	0.2
184.07350	100.0
185.07710	0.4
193.04996	0.5
214.92230	0.1
237.07626	0.3
273.89047	0.2
284.29538	0.2
311.26028	0.2
336.62500	0.2
476.31451	0.9
494.32379	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.3252
Annotation	Vinylamycin
Peak:m/z	Relative Intensity
50.34909	0.7
55.05509	2.7
56.05039	1.0
57.07074	1.0
58.06599	1.6
60.08173	18.4
62.00047	0.6
69.07066	3.0
70.09569	2.0
70.09985	1.1
71.07389	7.6
72.66629	0.7
81.52994	0.6
83.08627	1.3
86.09718	52.1
96.85288	0.7
97.10167	1.6
98.98476	4.7
104.10758	100.0
108.50552	0.9
124.99099	1.4
125.00024	29.4
129.69023	0.7
142.10680	0.9
143.84302	0.7
174.63934	0.7
184.07365	98.0
237.07680	0.9
311.25790	2.0
476.31363	11.2
494.32471	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	494.3329
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82632	1.0
53.03936	1.5
55.01872	1.1
55.05507	2.9
56.05025	3.2
57.03450	1.5
60.04530	88.9
61.02923	2.0
67.05509	10.0
69.03436	8.8
69.07066	3.8
70.42567	2.4
71.04987	1.3
72.04527	2.9
73.02931	2.3
74.06077	3.0
79.05503	5.1
80.05010	1.3
81.03415	5.3
81.07060	11.8
82.06577	1.5
83.04983	1.0
83.08620	1.2
84.04505	2.4
85.02911	21.4
86.06059	1.8
87.04440	1.1
90.05578	1.4
91.05502	2.8
93.07053	4.7
95.04958	1.2
95.08603	6.2
96.08141	1.5
97.02927	6.3
97.10194	1.0
99.04472	1.1
102.05556	2.9
104.07134	1.3
105.07040	1.7
107.08608	3.9
109.02919	2.1
109.10164	2.3
119.08612	2.6
121.10169	4.6
123.11732	1.1
127.03928	4.3
131.08612	1.1
133.10143	2.0
135.11649	1.8
145.04991	1.8
147.11711	2.2
224.11201	2.3
248.23775	1.1
260.23767	2.2
278.24954	5.6
296.25922	9.0
314.26895	17.8
332.27975	100.0
333.28458	2.1
374.29251	2.5
440.29944	1.5
462.62350	1.0
476.32361	3.0
494.33267	49.1
495.33856	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.26
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	8.0
55.01876	5.7
55.05500	17.4
56.05040	5.4
57.03421	5.0
57.07073	6.0
60.04545	5.4
67.05504	22.0
69.03430	24.9
69.07070	24.2
70.06614	6.5
71.04995	6.2
71.51563	5.7
72.08166	4.9
73.02916	4.4
76.07616	4.9
78.03450	10.9
79.05489	13.7
81.03421	14.9
81.07070	30.2
83.04997	8.2
83.08616	9.9
84.08147	5.1
85.02919	44.3
85.06522	10.2
87.00840	17.9
91.05460	13.9
93.07042	36.3
95.04964	10.1
95.08616	49.5
97.02895	16.3
97.06529	6.1
99.04475	7.0
103.05476	6.3
105.01874	34.1
105.03395	9.2
105.07035	28.2
106.02903	36.4
107.08601	42.1
109.02876	12.7
109.06516	15.2
109.10171	68.6
111.08106	11.4
117.07019	6.7
118.09438	4.2
119.08575	38.3
120.08142	7.1
121.10148	67.1
123.08059	21.0
123.11710	20.9
124.03968	80.2
125.04287	4.8
125.09685	10.2
127.03924	25.1
130.12294	6.3
131.04961	7.5
131.08626	5.0
133.10150	43.6
135.08037	6.1
135.11671	43.0
137.05972	6.7
137.09625	18.2
137.13260	7.7
138.05489	4.2
139.11127	5.8
145.04973	14.1
145.10121	8.2
147.11696	12.8
148.13332	14.6
149.09622	4.5
149.13248	44.4
151.03824	5.4
151.07504	4.4
151.11151	4.5
151.14838	5.6
153.01753	5.9
158.21155	4.4
161.06052	7.0
165.05495	4.5
165.16458	10.7
167.07085	5.4
167.63765	4.1
173.13011	4.1
175.14816	79.9
176.47740	4.4
180.06523	19.3
193.15892	100.0
211.13264	11.2
211.16859	7.6
231.05035	7.1
249.05978	10.1
298.23819	5.6
332.04648	4.4
333.05875	6.0
347.07703	13.7
348.08020	34.7
434.14417	9.5
451.19269	5.5
458.34280	5.2
476.15433	10.3
476.35858	8.2
494.16116	11.3
495.10995	8.4
495.17920	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	493.389
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	6.0
55.05513	44.3
57.07080	60.7
67.05504	22.3
67.21883	3.1
69.07072	89.2
69.29612	26.3
71.08632	38.4
78.63647	2.4
79.05503	33.3
81.07062	72.8
83.04988	6.8
83.08154	4.7
83.08626	58.3
85.06525	2.9
85.10188	18.4
91.05492	13.6
93.03400	6.0
93.07050	100.0
95.08613	68.6
97.06537	5.6
97.10169	39.1
99.08091	6.8
105.07040	11.0
107.04958	4.8
107.08604	64.0
109.06528	10.3
109.10166	40.2
111.08108	10.1
111.11723	23.4
115.07581	8.6
119.08581	8.6
121.06519	10.0
121.10142	35.1
123.11732	20.4
125.05980	5.6
125.09638	9.2
125.13228	7.2
127.07562	29.0
129.09120	3.8
131.08588	5.7
133.10164	6.6
135.11719	40.2
137.13251	12.2
139.07558	7.0
141.09169	5.3
143.07062	24.4
145.10147	6.0
147.03920	3.0
147.11691	5.8
148.40276	3.0
149.09727	3.6
149.13261	44.4
151.14809	6.6
153.09102	12.9
153.12772	3.0
159.11623	3.9
163.11180	6.1
163.14830	43.7
165.16394	2.9
173.13310	4.6
177.12752	5.7
177.16374	18.2
181.12151	4.1
187.14781	4.9
189.16344	4.6
191.14328	10.1
191.17999	9.0
195.13803	4.8
205.15855	3.4
205.19553	7.7
209.15338	4.0
215.17982	3.3
219.21092	6.8
233.01343	2.8
233.22647	8.6
243.20970	3.0
243.65482	3.3
247.20648	4.6
257.37830	2.9
289.28885	79.8
299.27264	12.7
307.29984	60.7
317.28375	53.1
349.31000	29.9
367.32037	4.3
427.56720	2.9
493.34818	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	493.2936
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.4
53.65769	0.6
54.35878	0.8
55.05278	1.4
55.05522	19.2
57.03445	9.0
57.07089	9.4
62.01702	0.7
63.06183	0.6
64.20574	0.8
67.05516	19.3
69.07082	24.6
71.04993	0.9
71.08633	3.0
79.05505	7.7
81.07069	18.8
83.08163	0.9
83.08636	16.2
85.06553	1.2
85.10197	1.3
91.05500	2.1
93.07059	11.9
95.08624	19.9
97.04881	0.7
97.06546	2.1
97.10184	10.6
98.20631	1.3
98.98485	55.5
99.08109	1.0
105.07044	0.9
107.08620	6.6
109.06573	0.8
109.10168	9.1
111.08118	2.2
111.11735	2.1
121.10165	10.0
123.11720	2.8
125.09649	1.0
135.11732	6.5
137.00027	3.8
137.13326	0.9
145.10109	1.1
149.13298	3.8
153.12825	0.8
155.01070	51.1
163.14830	0.8
165.16409	1.1
177.16460	1.2
193.02669	1.6
211.03642	3.3
213.58997	0.6
229.04811	1.8
242.26537	0.7
247.24277	2.8
265.25293	8.0
339.29007	100.0
340.29276	1.4
430.49097	0.7
475.28293	16.9
493.32306	1.8
505.23642	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.3374
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60889	5.2
55.05507	13.1
57.07078	59.1
60.63057	5.1
60.84783	5.2
67.05511	19.0
69.07069	16.7
70.01583	27.3
71.08643	47.7
81.07058	35.9
83.08621	20.5
85.10191	20.6
91.09978	6.3
93.07056	8.6
95.08614	48.8
97.10155	9.0
109.10163	19.3
121.10133	8.5
123.11676	7.5
131.30269	5.8
137.13191	7.7
216.95021	5.7
239.23747	47.5
313.27423	100.0
424.96036	7.2
486.85352	7.4
493.32626	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	493.3382
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93106	4.0
55.05502	15.5
57.06828	5.8
57.07079	51.1
65.78490	4.3
67.05515	23.5
69.07066	12.2
71.08355	3.6
71.08646	38.9
75.04477	4.6
79.05471	6.3
81.07078	22.3
83.08622	14.8
85.10191	23.1
88.27399	4.9
91.05473	6.6
93.07034	8.7
95.08619	33.4
97.10211	7.7
100.89237	4.8
105.07053	5.8
107.08582	6.6
109.10155	22.0
111.11687	4.9
121.10226	4.8
123.11736	4.6
133.10175	6.6
137.13196	5.3
169.63667	4.2
206.63963	4.8
239.23679	34.8
246.64154	4.3
257.24841	8.6
313.27426	100.0
493.32938	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	493.3531
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12427	1.1
55.01875	1.1
55.05506	3.3
67.05506	5.9
69.03430	1.5
69.07075	4.4
69.38440	1.4
69.38851	6.2
79.05507	3.4
80.26804	0.9
81.03386	1.4
81.07063	8.8
83.04976	1.8
85.02916	1.3
91.05486	3.3
93.07059	4.4
95.08616	6.7
97.06561	1.2
97.10196	1.9
98.21573	2.0
105.07038	2.2
105.27883	0.9
107.04939	1.7
107.08586	3.4
109.06552	1.0
109.10154	8.2
113.77258	0.9
119.08595	5.9
121.10147	2.8
122.07314	1.5
123.04433	1.0
123.11729	3.9
131.08556	1.4
133.10135	1.4
135.08075	1.3
135.11732	1.7
137.05989	1.9
137.09644	11.2
137.13210	1.0
139.11169	1.6
145.10223	1.2
146.82932	1.0
147.11699	1.7
149.09628	4.2
149.13272	1.9
151.07541	1.0
153.05504	1.1
155.29773	1.3
163.11230	2.1
165.09131	100.0
166.09471	1.9
167.07112	1.0
179.10579	1.8
180.75667	0.9
187.11200	0.9
189.12781	1.2
191.10744	1.2
203.10568	1.0
205.12242	6.7
299.05515	2.1
305.24713	3.0
308.27072	1.0
439.32144	2.1
457.33231	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77480	6.3
55.01873	19.4
57.03439	8.7
69.03435	11.3
72.08170	10.0
73.02921	7.3
81.03422	12.8
85.02894	33.0
89.57498	4.9
89.58146	5.0
91.05505	8.0
95.05007	8.7
97.02918	11.3
105.03410	6.6
105.07040	11.1
107.04931	5.2
109.02879	21.2
119.04927	8.2
119.08598	5.8
121.02901	19.5
123.04447	9.7
126.63116	5.5
127.03929	8.1
129.07013	7.6
137.06013	8.0
147.04446	12.4
151.03967	6.7
159.04550	6.3
161.02248	6.2
161.06001	22.2
163.03908	16.5
171.04442	18.9
171.08087	6.2
173.06030	7.1
175.03944	24.8
177.05544	20.8
181.04993	43.2
185.05966	12.1
187.03952	24.3
189.05484	17.3
193.05000	44.5
199.03871	16.3
201.05521	25.9
201.93018	5.3
203.03362	11.8
203.07036	8.8
205.05006	56.8
211.05934	7.4
213.05495	23.9
215.07053	7.0
217.04982	42.5
219.02936	12.0
219.06580	21.1
221.04468	19.1
223.06047	57.7
225.05551	12.6
227.07091	10.1
229.04987	28.2
231.06580	33.0
235.06017	51.0
237.05510	6.3
241.04930	17.1
243.06598	20.9
245.04562	7.6
245.08105	9.8
247.06070	93.7
249.07550	6.1
253.04977	15.7
255.06595	21.6
257.04556	6.8
259.06030	100.0
267.06357	6.2
271.06100	38.2
273.07608	19.1
277.07117	72.3
279.06476	7.5
283.05966	27.4
285.07504	19.6
289.07117	98.0
295.08505	8.6
297.07617	9.5
301.07101	75.3
307.08252	32.6
313.07031	66.3
319.08148	35.3
325.06668	18.9
325.09161	60.4
331.08267	10.9
337.09564	28.6
343.08160	56.9
355.08173	28.4
355.10913	7.7
361.09244	35.9
367.08087	25.6
373.09204	41.7
379.10229	22.9
385.09305	17.5
391.10236	41.6
403.10275	22.8
421.11429	24.6
439.12360	25.1
493.18109	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	493.1043
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96567	5.0
57.03437	3.4
57.72210	1.2
59.45613	1.2
61.02919	1.2
68.98329	2.0
69.03448	9.0
70.99864	1.7
71.01345	2.9
71.49822	1.6
72.08150	1.2
73.02947	1.4
79.23682	1.1
81.03434	2.6
82.99841	7.1
84.96040	5.2
85.01409	1.8
85.02916	10.3
86.99334	2.2
94.99869	1.5
95.48262	1.1
97.01410	2.8
97.02885	5.3
98.97585	13.5
101.00890	59.2
102.00930	1.7
103.02435	2.6
110.97562	8.0
112.99147	1.9
113.00861	18.4
115.00713	1.6
115.02451	13.0
116.98631	1.6
119.01932	59.7
122.09645	1.3
127.02432	5.2
127.03909	6.0
128.98615	3.1
129.00363	2.3
129.01915	1.4
129.03986	2.5
131.01915	33.0
131.44087	1.1
133.01688	1.4
133.03490	11.8
137.02980	2.7
139.02405	9.1
140.98634	1.3
143.00151	1.4
143.01901	12.7
143.20462	1.1
145.03459	11.9
145.04970	3.2
146.99670	2.1
147.01411	5.8
147.05077	1.5
151.02383	2.1
153.00388	1.2
155.01933	11.2
156.98112	1.2
157.03476	65.3
158.03543	2.1
158.99547	1.4
159.00101	1.4
159.01411	14.7
159.05185	1.8
159.61188	1.1
161.01115	1.3
161.03053	7.8
163.04533	5.5
167.01991	3.1
168.98140	2.1
168.99727	1.3
169.03442	17.6
170.99866	1.4
171.01392	8.0
171.03578	1.4
171.05029	1.7
173.01645	1.2
173.02959	7.4
173.06689	1.5
174.99167	2.7
175.04541	33.7
176.04857	1.2
177.02475	1.4
179.02113	2.5
181.03508	1.8
183.01445	3.1
185.02925	7.6
185.06641	1.5
186.99336	2.3
187.00958	4.3
187.02933	1.3
187.04584	5.5
189.02390	2.1
195.01427	3.7
197.02960	8.1
199.00880	2.3
199.04555	1.6
201.00739	2.1
201.02480	3.3
203.04001	2.4
205.05592	12.2
207.01431	1.2
209.02966	2.1
211.00900	3.2
211.04784	1.4
213.02490	5.3
215.04037	1.8
219.01775	2.7
221.05057	1.8
223.06638	100.0
224.06740	3.0
225.02538	2.9
227.04039	2.0
229.01976	5.1
233.05038	2.8
237.02550	1.5
239.04337	4.5
241.01949	3.1
241.07689	11.6
243.03566	3.2
245.05223	2.1
246.08507	1.7
251.06171	18.4
251.08713	1.9
252.06624	1.5
259.03201	1.5
259.06693	1.6
264.06836	2.3
265.07712	37.2
275.06140	2.0
277.07626	7.7
281.07309	3.0
289.11511	1.5
291.05713	17.7
291.08859	2.6
293.07217	11.7
305.07144	6.7
307.08621	1.7
311.07541	1.3
317.07202	21.6
319.08743	1.9
321.10281	2.6
329.03577	4.1
331.04819	1.7
333.06689	6.9
335.08249	14.6
345.01529	3.0
345.06488	6.0
347.08334	2.8
353.09402	3.6
363.07840	2.4
367.11099	1.8
373.04764	3.9
375.07849	3.3
403.06851	1.8
405.09195	1.5
423.09836	11.1
433.15411	1.4
465.10947	1.7
493.10431	86.2
494.10529	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	492.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.0
55.01869	2.2
55.05513	9.5
57.03429	1.6
59.04987	1.6
65.24060	1.0
67.05488	2.1
69.03432	5.5
71.04989	2.3
71.05368	1.3
71.05667	1.6
75.57577	1.1
76.30566	1.1
81.03415	5.0
81.07051	3.6
83.04982	10.2
83.08640	6.1
85.02908	9.8
85.06521	1.2
87.00823	4.3
91.05450	1.8
93.07065	1.5
95.04381	2.4
95.04971	41.4
95.08609	2.4
97.02882	2.8
97.06547	2.2
97.10160	1.5
99.04456	12.0
105.01860	2.4
105.03397	5.1
105.07037	2.5
107.08627	5.4
109.02870	4.2
109.06491	1.7
109.10144	6.6
111.08040	1.5
119.08548	1.4
121.10163	2.5
123.11749	1.3
125.09650	2.0
127.03919	4.8
130.29785	1.1
133.10135	6.0
139.11188	1.4
139.60736	1.3
145.04980	6.8
146.11046	1.1
147.11653	1.4
151.11194	11.9
153.09103	15.0
159.02892	2.1
161.13321	1.2
167.07027	1.8
167.14304	13.6
173.13286	3.2
175.14861	1.2
179.14296	2.9
191.14325	4.1
209.15370	100.0
210.15739	2.7
227.16396	4.6
231.04968	1.6
435.36499	1.4
457.20056	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1038
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	2.6
55.01866	8.0
55.05501	3.1
56.96570	30.4
57.03442	20.2
59.04992	6.6
61.02927	10.1
68.98287	4.1
69.03439	50.4
70.71993	4.3
70.72321	3.0
70.99881	3.1
71.01364	20.4
71.04979	10.2
71.95238	3.2
73.02923	14.0
81.03433	14.7
82.99842	8.1
83.01322	2.3
83.04986	4.2
84.96045	20.6
85.02911	64.1
85.06531	4.2
86.03230	2.9
86.06064	2.7
86.99347	5.1
87.04480	17.8
89.00848	2.0
91.03964	4.0
95.01307	2.6
97.01443	3.0
97.02899	62.3
98.97596	60.4
99.04443	9.7
100.99168	3.7
101.00893	64.5
101.02359	3.2
101.03476	3.0
101.06092	2.8
102.00953	2.5
102.01577	2.8
103.02439	4.2
108.08137	4.5
109.02895	5.8
110.01302	2.9
110.28737	2.3
110.97588	40.4
112.99170	17.2
112.99811	2.7
113.00172	3.6
113.00874	25.4
113.02369	10.1
113.59647	2.3
115.02462	16.4
115.03928	6.4
116.98626	10.5
117.02061	2.9
117.03951	4.5
119.01928	70.6
124.99157	7.4
125.00114	3.2
126.97076	4.2
127.00702	6.6
127.02419	6.3
127.03947	14.9
128.58852	2.3
128.98592	16.6
129.01889	10.7
129.03972	7.1
131.00252	11.5
131.01915	39.2
131.03465	3.8
131.05556	3.8
132.02007	3.4
133.01572	3.8
133.03445	16.3
135.03117	3.5
137.02919	3.3
138.97063	5.6
139.02434	11.9
140.00732	2.9
140.02359	3.4
140.98613	4.0
141.01959	2.3
141.04005	3.1
143.00157	7.4
143.01910	18.0
144.98120	3.9
145.01714	8.9
145.03500	19.5
145.04976	22.0
146.00690	3.8
146.05023	5.7
146.99637	4.8
147.01414	6.6
147.03235	3.0
147.05067	8.5
149.01126	6.0
149.02963	3.0
151.52599	3.2
152.07077	4.1
153.04105	2.6
153.05779	15.0
153.55917	3.0
155.01976	15.1
155.05585	3.0
156.98076	14.4
157.01628	3.4
157.03494	79.9
158.03616	2.5
158.99673	14.1
159.01382	14.9
159.03191	4.3
159.05066	6.0
160.03844	3.0
161.01218	11.1
161.02951	9.8
161.04504	6.1
161.06654	5.5
162.01939	4.1
162.06396	4.2
163.02806	5.9
163.04459	10.6
166.03090	4.0
167.01968	2.9
168.98094	5.5
169.03268	16.4
169.04588	7.4
170.05188	7.7
170.99654	9.5
171.01376	8.3
171.05190	3.7
173.01270	10.6
173.02957	8.9
173.04546	2.6
174.99164	10.0
175.02780	8.9
175.04549	35.2
176.03531	2.8
177.00729	4.6
177.02678	3.3
177.04265	7.8
178.04976	18.9
178.55135	3.2
179.02084	5.4
181.54495	2.7
182.01711	3.5
182.99727	2.8
183.01379	3.3
184.05441	2.2
184.97649	4.2
185.01364	2.9
185.02954	6.5
186.99174	3.2
187.00865	4.0
187.02795	3.2
187.04576	7.8
189.00735	5.6
189.06076	8.8
191.02237	8.7
191.03883	4.3
191.76807	2.6
193.03796	6.0
195.01462	4.9
197.03003	8.4
198.02823	4.1
200.02872	3.5
201.00819	5.6
201.02487	6.4
201.06100	5.5
203.02271	3.0
203.03984	3.6
203.07648	3.4
205.03867	4.2
205.05608	15.5
206.02840	5.4
211.00902	4.0
211.04659	3.9
211.06525	4.4
212.02754	4.4
212.04597	3.9
213.00752	3.8
213.02533	6.6
214.98682	4.3
215.04120	4.8
215.07654	3.8
217.00204	3.4
219.01767	20.6
219.05244	3.7
219.07237	5.1
221.03288	3.2
221.05168	7.0
223.06651	100.0
224.06870	2.6
225.02354	3.0
225.05951	3.6
227.07719	4.4
229.05734	2.8
232.04292	6.6
233.05014	6.5
234.05849	6.3
234.08328	5.8
234.52473	2.7
235.06534	6.6
237.02713	10.0
240.06194	2.8
241.07889	5.4
242.07733	5.3
245.05147	6.3
248.05525	8.2
250.07080	5.3
251.06108	17.0
252.02335	3.0
259.02936	2.5
259.06812	4.8
261.02881	5.1
263.06726	5.5
265.07739	40.5
271.05634	4.6
277.07748	9.7
290.07291	7.3
290.57788	2.9
291.05600	20.2
291.09286	13.3
293.07376	14.2
295.06821	3.0
297.08160	6.8
297.58160	3.8
301.04022	3.4
305.07217	10.6
305.10861	13.0
305.57605	2.4
309.10361	4.9
314.07764	4.0
315.06314	5.0
316.06052	5.7
316.55988	18.3
317.03860	8.8
317.07535	22.2
321.10794	12.3
322.10400	4.6
324.05051	7.6
328.07742	6.3
329.03586	7.0
331.09500	9.6
331.14716	2.8
332.04022	3.8
332.13379	3.4
332.54529	3.5
333.06543	13.6
335.08533	18.6
336.07028	4.5
337.08130	8.5
339.09857	2.8
345.01303	12.7
345.06555	3.4
347.08566	3.4
348.56937	3.4
353.09351	3.1
373.04504	4.0
413.67209	2.5
423.09787	10.1
493.10321	85.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	7.0
55.01877	5.6
55.05505	12.9
57.13902	2.6
58.06601	4.7
60.04542	21.6
61.02926	5.0
67.05502	8.5
69.03428	22.6
69.07076	8.6
71.05001	5.0
71.51366	3.7
72.08174	3.8
79.05508	10.4
81.03432	16.4
81.07063	10.2
83.04995	14.4
83.08641	5.6
84.08147	4.7
85.02915	52.9
85.06570	4.5
85.89796	2.8
87.00848	31.3
91.05475	13.8
93.07056	10.7
95.04987	6.8
95.08614	9.9
97.02907	24.3
97.06519	5.4
99.04446	5.8
105.01886	40.4
105.03398	16.5
105.07048	10.1
107.04994	2.9
107.08614	58.7
109.02878	17.6
109.03530	2.7
109.06509	3.9
109.10165	7.0
111.08080	6.4
117.85780	2.8
119.04939	6.9
119.08614	11.1
121.10157	18.8
123.08108	5.7
127.03941	39.9
127.07568	6.1
131.04913	3.9
131.08588	7.3
133.10155	34.4
135.08089	6.7
135.11674	9.8
136.92053	2.9
137.05945	4.2
137.09610	12.3
145.04964	22.8
145.10168	3.1
147.11697	10.1
148.13348	9.3
149.09639	3.7
149.13295	9.6
151.11194	7.2
153.09148	9.3
159.02931	5.2
163.14923	4.6
167.07137	3.9
173.13290	11.9
175.14848	12.4
191.14331	100.0
197.09653	16.9
209.15405	23.8
231.05040	11.4
249.06134	6.9
330.26447	17.8
347.07550	11.6
438.87631	3.2
456.33948	3.3
492.31772	12.0
492.37772	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.1
55.01854	3.4
55.05506	5.8
55.50884	1.9
57.03430	3.0
58.06605	2.5
60.04535	12.4
61.02930	4.0
67.05494	7.4
69.03430	15.7
69.07058	6.6
70.06602	2.3
71.04996	3.2
71.40275	3.9
72.08150	4.9
73.02904	3.0
75.47997	1.7
76.07642	3.5
79.05486	8.5
81.03411	7.2
81.07053	8.6
83.04971	5.3
84.08130	5.9
85.02908	33.7
85.06544	2.7
86.09704	3.1
87.00822	7.1
91.05484	33.6
93.07030	8.9
95.04973	4.1
95.08601	6.2
96.50732	1.9
97.02893	11.2
99.00802	8.7
99.04458	4.2
103.05442	2.6
105.01871	8.6
105.03378	20.1
105.07037	8.9
107.04947	7.7
107.08601	25.0
109.02895	4.4
109.06535	2.9
109.10155	3.7
110.07175	2.4
117.01840	4.4
117.07001	3.1
119.04946	44.6
119.08592	8.9
120.08125	1.9
121.10136	8.4
123.08041	2.4
127.03931	12.2
129.07005	1.8
130.12265	4.6
131.08589	5.3
133.10135	27.6
135.08087	3.0
137.09616	4.4
139.11188	2.2
145.04948	6.4
145.10162	4.0
147.11696	5.1
148.13333	11.4
148.53618	1.8
149.09602	2.8
149.13254	3.3
151.11197	2.5
155.03270	2.4
155.34570	1.9
162.03139	1.9
167.07109	9.2
173.13243	6.6
175.14854	3.7
178.07755	4.4
179.08621	5.9
191.14307	23.2
197.09622	100.0
198.10034	2.6
209.15219	4.2
224.96899	1.9
231.05046	3.7
253.52823	2.0
258.05313	2.3
276.23151	2.4
283.09915	2.2
285.16333	2.5
293.97604	2.3
294.24216	4.3
295.09753	3.5
303.04816	3.5
312.25275	6.0
330.22913	1.9
330.26474	11.3
334.34839	1.8
347.07669	11.0
420.31192	2.9
456.33585	3.7
474.34097	5.9
492.30649	31.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.3373
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35980	1.3
53.03955	1.1
55.01868	1.7
55.05516	8.3
56.79284	1.1
57.03407	1.2
57.07101	1.2
60.09702	1.1
67.05509	9.4
69.03416	2.4
69.07077	5.5
70.06594	1.9
71.04994	2.2
71.29980	1.0
71.50909	1.8
79.05487	8.4
81.03426	1.8
81.07058	11.8
82.62722	1.2
83.04981	3.2
83.08656	2.5
85.02901	1.8
85.06525	1.8
85.94524	1.3
91.05473	6.9
93.07060	10.8
95.04960	5.9
95.08615	8.0
97.02898	1.8
97.06535	2.2
97.10175	6.9
98.84900	1.3
103.05453	1.9
105.03397	2.3
105.07041	7.9
107.04993	7.4
107.08614	6.8
109.06517	3.4
109.10167	10.4
113.84497	1.1
117.07013	3.2
119.08583	8.8
121.06495	6.1
121.10162	3.5
122.07291	2.7
123.08137	2.0
123.11721	2.9
125.09641	4.1
128.06279	1.4
131.04955	2.8
131.08580	3.4
133.06491	1.1
133.10159	3.8
135.08081	3.7
135.11732	2.6
137.05965	3.1
137.09622	13.6
143.08600	2.6
143.10747	1.6
145.10127	3.0
147.08054	2.1
147.11717	3.1
149.09662	4.1
149.13249	1.8
151.07590	2.9
151.11209	2.1
155.59123	1.3
157.10085	1.4
159.11684	2.1
161.09689	2.1
163.11163	2.6
165.09129	100.0
166.07840	1.7
166.09605	2.5
171.11681	1.6
173.09673	2.1
173.13362	1.4
177.09116	1.8
183.11685	2.2
185.13377	1.3
187.11102	1.6
189.12758	1.3
191.10619	1.5
197.65955	1.2
205.12309	3.7
214.48366	1.0
219.13847	2.8
225.39812	1.1
233.93814	1.3
245.16028	1.2
249.14868	1.5
251.20576	1.1
321.04694	1.4
321.24301	2.5
367.22699	4.8
367.95331	1.2
385.23721	3.4
400.22980	1.2
455.31183	1.8
459.27353	7.6
491.30035	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	491.1187
Annotation	Quercetin 3-(4''-acetylrhamnoside)
Peak:m/z	Relative Intensity
52.00766	1.4
55.05511	4.9
57.03443	2.9
61.02924	3.2
67.05505	3.0
69.03435	64.2
69.93804	6.0
71.04984	6.6
79.05479	3.0
81.03403	2.1
81.07056	4.4
83.04979	20.2
85.02898	6.7
85.06532	1.8
91.05474	2.8
93.07023	4.6
95.05013	2.6
95.08585	5.1
97.02843	1.9
103.05468	3.2
105.07033	3.1
107.08633	2.6
109.06457	2.2
109.10138	4.5
111.04446	19.1
119.08597	4.8
121.10102	3.5
129.05495	34.3
131.04941	4.0
131.08566	2.5
137.02333	2.7
137.05975	3.8
137.09612	3.6
147.11821	2.1
149.13257	2.2
151.07556	2.1
153.01793	7.3
165.09111	23.6
167.07083	8.5
181.05009	2.8
185.04262	7.6
189.07515	8.1
191.10596	2.2
205.12222	2.3
229.04977	5.1
257.04449	2.0
285.07385	10.1
303.05008	100.0
315.04825	2.4
395.07956	2.0
413.08585	2.9
459.09213	9.9
491.11624	17.9
491.18195	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	491.2776
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26632	2.5
53.82172	2.5
55.05519	19.4
57.03440	14.3
57.07064	5.3
59.04979	2.9
62.25420	2.7
65.03932	3.1
66.55770	2.6
67.05188	4.7
67.05513	54.1
69.07074	20.1
71.08635	3.0
71.51461	3.4
79.05498	19.3
81.07062	64.7
83.08604	11.2
91.05495	10.3
93.07056	20.6
95.08611	51.0
95.66576	2.6
97.06539	3.9
97.10177	3.8
98.98470	86.6
100.11362	2.6
105.07017	10.0
107.08607	13.9
109.06494	3.4
109.10164	23.8
111.08078	3.9
116.70413	2.9
118.66998	2.9
119.08560	9.2
120.44267	2.5
121.10135	8.6
123.08067	8.5
123.11703	7.2
131.08572	2.5
133.10114	10.8
135.11684	7.7
135.51750	2.6
137.00026	3.5
145.10159	3.2
147.11716	4.8
149.13289	5.2
155.01050	75.0
158.15324	2.5
161.13295	4.3
163.14777	4.1
175.14830	2.9
179.14340	4.4
211.03645	4.2
229.04720	4.6
245.22548	6.0
263.23685	9.8
299.30841	3.0
302.20737	2.9
337.27368	100.0
349.27603	14.6
448.25507	3.3
473.26721	11.9
491.30197	12.8
491.37439	4.1
498.66391	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	490.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.7
55.01875	1.1
55.05512	0.6
57.03436	0.6
58.59883	0.5
69.03444	0.9
69.39108	4.7
72.08158	0.5
76.39413	0.6
76.52037	0.4
77.94460	0.6
79.05495	1.4
81.07028	1.2
83.04966	0.6
85.02916	2.3
91.05480	2.1
93.07083	0.7
95.04977	0.9
95.08592	0.8
97.02901	1.8
98.21510	0.7
103.05476	22.9
105.07027	2.9
107.05005	0.6
109.10163	0.6
113.02357	1.3
115.05467	1.6
117.07018	1.3
119.04860	0.6
121.06507	2.1
123.08085	2.4
131.04941	95.8
132.05304	1.4
133.06499	6.8
133.10081	0.7
141.01823	3.3
143.96231	0.6
145.06517	2.1
146.07236	1.3
146.36459	0.6
147.08083	3.1
148.13345	1.0
149.05968	5.0
151.07581	3.9
161.05994	25.1
162.06754	0.8
163.07578	2.6
164.08331	0.9
165.09100	1.0
175.07581	5.3
176.08339	77.0
177.05504	3.3
177.09091	4.7
179.07019	0.5
179.10715	1.2
181.12373	0.7
191.07097	0.8
192.07863	4.4
207.10188	100.0
208.10464	2.0
225.12459	0.9
225.14685	0.6
227.12778	0.6
235.11598	0.7
263.08884	0.6
289.06940	2.6
307.08154	12.8
362.00687	0.5
419.09677	1.1
427.36523	0.6
437.10703	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12467	1.4
55.01872	2.0
55.05503	4.4
57.03420	1.7
57.76045	1.1
58.06584	3.5
59.05000	2.4
67.05503	6.7
69.03425	4.7
70.06599	1.7
71.04987	3.8
72.08165	10.3
73.06563	1.8
73.08494	1.4
76.07666	2.1
79.05495	7.5
81.03382	2.2
81.07062	7.4
83.04988	2.9
84.08150	5.6
85.02913	11.2
85.06572	2.5
86.09691	1.9
87.00840	2.7
87.04499	1.8
91.05489	10.1
93.07050	5.6
95.04971	3.4
95.08602	4.8
97.02892	3.8
97.06493	1.8
102.09173	3.0
103.05453	4.3
103.06073	1.3
105.07035	15.8
107.08578	12.1
109.06506	4.1
109.10153	4.2
111.08073	2.0
112.11182	1.5
117.07017	2.7
119.07809	2.2
119.08591	23.8
120.08112	1.5
121.06492	1.7
121.10148	11.0
123.08083	4.0
123.11726	3.1
125.09692	2.2
127.03962	2.2
128.06239	2.7
129.06999	4.7
130.12292	6.4
131.04945	10.5
131.08578	11.8
133.10083	6.8
135.08067	20.6
135.11688	5.8
137.05989	1.9
137.09612	2.3
141.07054	2.3
142.07843	1.4
143.08553	8.5
145.04956	1.5
145.10143	8.2
147.08046	11.2
147.11690	14.6
148.13380	2.1
148.87370	1.4
149.09650	10.0
156.09351	15.9
159.11681	2.9
161.09683	1.7
161.13240	6.3
163.11142	2.3
165.09129	2.4
165.12741	3.7
171.11693	32.4
174.10367	1.8
189.12741	29.6
207.13809	100.0
208.14099	3.1
226.18044	1.4
257.93973	1.5
258.17801	1.4
382.25845	2.0
383.26312	3.8
401.27472	2.2
435.62006	1.4
454.32932	2.7
455.32181	8.8
471.34384	2.1
472.34650	20.8
473.33020	10.5
489.35074	3.0
490.35654	27.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.1561
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36393	0.2
51.02379	0.4
52.01590	0.2
53.03944	0.9
59.05003	0.4
61.02423	0.2
64.15418	0.2
69.03423	0.4
71.41238	0.5
74.84842	0.2
77.03937	0.7
78.52793	0.2
81.07043	0.6
85.02906	0.4
87.16244	0.2
89.06040	0.2
91.05492	0.2
95.04980	0.6
97.02935	0.3
99.29213	0.2
102.04700	0.4
103.05477	28.3
104.05814	0.2
105.04549	0.3
107.08627	0.3
113.02377	0.5
127.03932	0.2
131.04941	100.0
132.05283	1.9
141.01820	0.9
146.80885	0.2
149.06001	3.4
207.09651	0.6
261.07590	0.5
271.04504	0.3
289.07086	1.4
307.08157	5.4
391.10126	0.3
419.09811	1.4
425.23770	0.2
433.68744	0.2
437.10840	0.9
472.32950	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.1559
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.4
55.01870	0.6
57.03444	0.6
69.03426	0.7
69.16428	1.2
69.16856	1.9
71.36034	0.3
77.03894	0.5
83.28492	0.3
85.02899	0.5
95.04974	0.5
95.08616	0.4
97.02925	1.4
103.05473	22.6
105.04507	0.4
107.50133	0.3
113.02365	0.9
131.04936	100.0
132.05275	0.9
141.01823	3.3
145.70406	0.3
148.13356	0.3
149.05991	3.2
176.08412	0.4
207.10144	1.0
217.05794	0.3
261.07520	0.7
263.09290	0.6
271.04532	0.4
289.07153	3.0
307.08127	13.1
308.08517	0.4
309.57645	0.3
325.09174	0.7
326.22720	0.3
372.44141	0.3
419.09567	1.9
433.19925	0.3
437.10840	1.7
472.33102	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.4465
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05491	4.1
57.07060	3.7
62.06093	71.0
67.05492	5.9
69.07056	5.8
79.05492	3.2
81.07057	10.8
83.08600	4.9
91.05470	1.5
93.07053	6.6
95.08612	25.0
97.10181	3.2
105.07012	1.8
107.08601	8.4
109.10158	17.9
119.08551	1.5
121.10159	7.3
123.11707	5.4
133.10159	1.9
135.11690	6.1
135.12610	1.4
137.13248	3.6
149.13269	8.6
163.14813	4.2
191.17935	1.8
205.19499	5.3
471.42194	2.3
488.36813	5.4
488.44604	100.0
489.45190	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	489.3216
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.4
54.42897	0.4
54.44806	0.4
55.01888	0.4
55.05511	2.3
57.03443	0.7
63.64922	0.4
65.03951	0.6
67.05516	3.7
69.03429	2.6
69.07066	1.9
70.06571	0.8
70.47076	1.3
70.47446	0.4
71.01347	0.5
79.05502	2.0
81.07059	4.6
83.04993	1.1
83.08659	0.4
85.02924	1.5
85.06554	1.0
86.09718	0.5
91.05495	2.4
93.07048	3.3
95.04961	0.8
95.08618	3.9
97.02898	1.4
97.06564	0.6
97.10169	2.2
99.04452	0.9
101.00633	0.4
103.05470	1.1
105.07027	3.5
107.04957	0.8
107.08577	3.1
108.16995	0.3
109.06512	1.0
109.10157	6.2
111.04479	0.5
111.08087	0.8
115.05487	0.5
117.07001	1.1
119.04951	0.5
119.08587	4.6
121.06519	0.8
121.10152	3.3
122.07287	1.5
123.08067	1.1
123.11732	1.1
125.05999	1.4
125.09623	1.2
127.03912	0.5
129.06995	0.8
131.04938	1.5
131.08560	1.5
133.10112	2.3
135.08067	3.2
135.11694	1.4
136.08807	0.7
137.05959	1.6
137.09624	9.1
139.11153	0.7
141.09084	0.8
143.10664	0.8
144.09352	1.1
145.10120	1.5
147.08049	0.8
147.11717	1.4
149.09634	10.0
149.13304	1.1
151.07555	2.0
151.11133	0.6
153.05409	0.6
153.09137	0.8
157.10158	0.7
159.08064	0.7
159.11713	3.6
161.05957	0.5
161.09651	1.7
161.13242	0.5
163.07530	0.8
163.11200	1.6
165.09125	76.6
166.09410	0.6
167.07114	1.8
167.10728	0.6
169.08578	0.5
170.56633	0.4
171.11705	0.5
172.08879	2.1
173.09618	0.8
173.13248	1.0
175.07521	1.5
175.11189	1.1
176.08336	0.5
177.09183	2.7
177.12788	3.6
181.04953	1.3
185.13193	0.5
187.11180	4.7
187.14853	0.8
189.09103	1.3
189.12828	0.9
190.09908	10.7
191.07013	0.8
191.10635	1.1
201.12668	0.5
203.10670	1.7
203.14394	0.4
205.12250	100.0
206.12581	1.2
210.96977	0.4
223.11314	0.5
231.13762	0.4
233.15306	0.9
245.15495	0.7
250.67555	0.4
251.16383	1.3
269.17615	0.6
301.21585	0.5
319.22656	0.9
341.65314	0.5
453.30099	1.0
471.30984	1.2
489.17682	1.4
489.32239	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.2137
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04452	1.4
52.94848	1.3
53.03953	2.0
55.01862	2.3
55.05505	3.7
56.05025	1.3
57.03423	5.1
61.02920	4.2
67.05492	4.3
69.03434	16.0
69.07060	3.3
70.06567	2.6
70.11188	1.5
71.04983	3.4
71.51592	2.2
71.58649	1.4
72.08167	10.7
73.02925	2.8
79.05483	6.0
80.05017	1.8
81.03440	6.9
81.07053	5.6
82.06586	1.3
83.04977	3.3
84.04506	3.1
84.08158	3.3
85.02913	32.3
86.09698	5.5
91.03941	2.2
91.05492	7.4
93.07058	9.1
94.06551	2.7
95.04958	4.2
95.08609	2.8
96.08100	1.3
97.02903	10.7
97.06540	3.4
97.13794	1.3
99.04444	4.2
105.03406	2.1
105.07011	5.4
106.06573	1.4
107.04925	1.9
107.07369	1.6
107.08588	4.4
108.08121	2.9
109.02850	2.9
109.06513	3.5
110.06046	8.3
111.08134	1.9
117.07028	5.3
119.04946	1.9
119.08584	4.2
120.08099	5.1
121.06500	3.1
121.10080	1.4
122.05986	3.2
123.08080	2.1
124.07568	2.9
125.05989	2.1
126.09249	1.4
127.03913	5.8
130.05022	1.6
130.06555	2.0
132.08054	3.2
134.05989	1.7
134.09694	7.7
136.07584	15.4
138.05498	3.4
140.07086	1.9
142.07784	1.8
143.07262	1.8
143.08507	1.9
144.08104	9.7
145.04921	3.1
145.08766	1.8
146.06007	8.8
146.09621	3.3
147.04425	3.4
147.06776	1.6
148.07607	13.7
152.07085	9.7
157.08717	1.4
157.10068	1.5
160.07610	9.3
161.08322	1.4
162.09142	28.2
164.07074	4.7
164.10634	1.7
166.08705	1.5
169.08842	2.3
172.06166	2.7
172.07579	31.1
173.08340	1.9
174.09178	6.4
176.07071	5.8
178.08658	2.6
183.10301	1.7
184.11249	1.9
186.09113	1.9
188.07077	3.4
188.10736	3.8
190.08646	19.3
191.09346	5.3
192.10258	11.1
192.13744	2.1
198.12810	4.7
200.10669	2.6
202.08566	1.5
202.12335	6.6
208.11488	1.8
212.10719	8.6
212.16414	2.0
218.15390	5.9
220.13347	2.7
225.11351	1.6
226.12297	14.4
228.10225	2.1
228.13681	2.0
230.11780	8.8
236.16344	1.9
244.13336	7.0
246.14899	25.8
248.12842	4.0
253.35208	1.4
254.11804	16.4
264.15967	41.0
265.11917	3.3
272.12851	31.9
290.13876	32.2
291.14081	1.6
308.14944	100.0
309.15213	3.6
326.16226	8.2
326.19638	1.8
382.25616	1.9
417.30338	1.6
470.19598	2.4
470.35477	1.4
471.33871	2.4
488.20517	5.4
488.36523	5.1
489.22766	1.9
496.07919	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2153
Annotation	3"-Deamino-3"-hydroxykanamycin X
Peak:m/z	Relative Intensity
50.14553	0.3
53.96844	0.3
55.20836	0.3
63.21651	0.3
69.68648	1.5
77.22980	0.3
86.09710	0.8
93.07020	0.6
95.08620	0.4
107.08574	0.5
109.16151	0.3
125.09538	0.3
127.27947	0.3
131.04985	0.4
161.25314	0.4
203.05321	0.7
275.07391	1.1
310.19809	0.3
312.71573	0.3
335.09470	10.1
355.17307	5.0
453.63568	0.3
487.21524	100.0
488.21808	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3057
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.7
55.01871	0.8
55.05505	2.1
58.60767	0.5
63.55681	0.5
67.05505	3.3
69.03422	2.1
69.07063	1.2
70.06618	0.6
71.51973	0.5
71.52343	0.5
79.05478	1.6
81.07047	3.4
83.04962	0.9
85.02895	0.8
85.58506	0.6
87.47759	0.5
88.34369	0.5
91.05482	1.9
93.07050	2.6
95.04983	0.7
95.08597	3.1
97.02929	0.5
97.06574	0.8
97.10160	1.9
103.05485	0.7
105.03376	0.8
105.07027	2.5
107.08606	3.6
109.06513	1.0
109.10183	4.5
111.04449	0.8
111.08106	0.9
117.07024	0.9
119.08599	3.2
121.06488	1.0
121.10143	2.9
123.08063	0.9
123.11718	0.6
125.05991	0.9
125.09589	0.7
125.44922	0.5
131.04930	1.3
131.08539	1.5
133.06450	0.8
133.10152	2.5
135.08049	4.1
135.11722	1.2
136.08755	0.5
137.05995	0.6
137.09624	4.6
138.56279	0.5
139.07571	0.6
143.08553	1.1
144.09311	0.7
145.10103	1.6
147.11697	1.8
149.09631	8.6
151.07481	0.8
157.10135	0.8
159.11705	4.1
161.09615	2.3
161.13210	0.8
163.11157	1.6
165.09123	26.9
166.09427	0.8
169.10153	0.6
171.11601	0.9
172.08870	2.6
173.13264	0.9
175.07562	2.1
175.11182	1.3
177.09149	2.5
177.12790	3.6
187.11198	5.7
189.09019	0.6
190.09883	9.4
203.10712	2.6
205.12250	100.0
206.12639	2.1
217.15810	0.6
280.41083	0.7
361.02048	1.0
451.28369	1.4
469.29465	0.9
487.30457	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31834	1.0
55.01864	1.6
55.05497	1.3
57.03436	2.8
57.48380	0.9
57.99430	1.1
61.02917	2.2
67.05489	1.9
69.03434	11.0
69.07066	2.4
70.06577	2.6
71.04977	2.0
71.40752	1.5
71.89449	1.0
72.08137	3.1
73.02917	1.2
79.05492	4.5
80.05019	1.4
81.03400	4.2
81.07053	2.4
81.11430	1.0
83.04966	1.4
85.02448	1.4
85.02912	23.6
86.09716	8.0
87.04482	1.8
91.05486	3.8
93.05762	1.6
93.07053	6.6
94.06559	1.7
95.04956	3.2
95.08594	1.9
95.76283	1.1
97.02917	9.2
97.06554	2.9
99.04453	3.3
103.05461	1.2
105.07021	3.3
106.06562	1.5
107.04971	1.9
107.07360	1.2
107.08584	4.7
108.08102	2.1
109.02859	2.8
109.06513	2.7
110.06051	7.3
110.09685	1.1
111.08050	1.7
115.05476	1.3
117.05809	1.6
117.07002	3.9
118.06521	1.2
119.07324	1.5
119.08516	1.1
119.76157	1.2
120.08077	4.6
121.06569	1.4
122.06044	3.2
124.07586	3.3
125.05972	2.5
127.03897	4.7
130.06506	1.8
130.12283	1.7
131.08556	1.8
132.08043	3.1
133.06512	1.3
134.06052	1.4
134.09634	10.3
136.07603	12.7
138.05493	1.1
139.07475	1.2
140.07034	1.8
143.07161	1.3
144.08090	7.4
145.04915	2.0
145.10037	1.2
146.05998	6.2
146.09615	4.3
147.04391	2.6
147.06827	2.5
148.07591	12.2
148.13309	1.1
152.07040	6.8
157.10178	2.1
159.10384	1.1
160.07579	6.0
160.11160	1.2
162.09152	27.4
164.07071	4.4
164.10742	2.4
168.07959	1.4
170.09810	1.1
172.07587	23.7
172.11227	1.8
174.09140	4.4
174.12753	1.8
176.07086	4.0
178.05040	1.6
178.08582	1.2
178.54248	1.1
181.10147	1.3
182.09618	1.4
184.11282	1.9
186.09140	1.7
187.07132	1.1
187.09955	1.0
188.06999	2.6
188.10699	3.3
190.08647	20.4
190.15881	2.0
191.09454	5.2
192.10201	12.6
192.13838	2.2
198.12744	4.7
200.10699	1.9
202.12285	7.4
210.09183	1.8
211.09795	1.0
212.10718	5.8
216.09758	1.1
218.15327	5.1
220.13390	3.5
226.12286	11.3
228.10356	2.2
228.13635	1.9
230.11726	7.8
244.13399	5.3
246.14906	23.9
248.12801	1.9
254.11769	15.7
254.19864	1.3
264.15964	33.4
265.16116	1.1
272.12802	25.7
290.13895	23.2
300.15765	1.2
308.14938	100.0
309.08743	2.6
309.15204	2.0
326.15976	13.7
327.09793	1.3
488.20731	1.6
488.34064	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93381	0.4
55.01870	0.7
56.96568	2.7
57.03435	1.3
59.04993	0.8
61.02926	0.6
69.03439	2.2
69.07071	2.2
70.06596	0.4
71.01353	3.7
71.04971	0.6
71.50453	0.7
72.96027	0.5
73.02900	0.5
81.03423	0.9
84.96040	1.9
85.02916	4.5
86.09712	100.0
87.04498	0.7
87.10046	1.0
91.04005	0.5
97.02909	4.9
98.97595	4.3
99.04461	0.7
99.06625	0.4
110.97592	2.8
112.99135	1.2
113.02357	0.9
115.03949	0.6
116.98646	0.4
119.01861	0.8
127.03972	0.9
128.98622	1.6
131.00194	0.6
131.01920	1.1
132.10214	76.6
133.10490	0.6
136.06187	1.0
143.00175	0.7
143.01936	0.7
145.03473	0.7
145.04913	1.2
156.98135	1.0
158.99673	1.1
159.01357	0.4
161.01218	0.6
161.04703	0.9
168.71620	0.4
168.98097	0.9
169.04422	0.9
170.05182	0.6
170.99715	0.7
173.02998	0.5
174.56474	0.4
174.99202	0.8
177.00801	0.5
177.04314	0.6
178.04918	2.0
196.97479	0.5
201.00812	0.6
219.01799	1.2
237.02812	0.8
243.00479	0.4
310.11105	1.0
345.01276	0.6
489.11505	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3424
Annotation	Iridotectoral A
Peak:m/z	Relative Intensity
55.05498	32.4
57.07084	12.9
67.05489	37.8
69.07056	36.0
71.51746	12.8
74.11275	9.0
79.05480	29.0
80.05849	9.8
81.07058	56.5
83.04967	9.1
83.08627	18.5
91.05486	20.2
93.07046	50.4
95.08615	54.4
97.06469	10.7
97.10153	18.9
105.07037	41.6
107.08598	100.0
109.06512	15.3
109.10156	35.0
119.08597	99.1
121.06541	10.9
121.10149	64.9
123.11691	24.0
131.08534	26.0
133.10173	45.8
135.08104	10.6
135.11734	21.5
140.30746	8.9
143.08562	11.4
145.10123	42.0
147.11719	46.1
149.09595	13.0
149.13260	15.6
157.10110	31.7
159.11700	45.9
161.09628	8.9
161.13226	39.5
163.14729	15.0
165.09180	11.4
167.10722	15.2
171.11624	16.1
173.09669	10.3
173.13266	30.1
175.14803	22.4
185.13287	17.8
187.14853	39.3
189.12692	12.6
189.16357	12.7
197.13179	9.8
199.14684	11.7
201.16460	21.2
203.17801	11.2
207.13872	9.6
218.90199	11.5
219.13779	15.6
221.15463	13.4
231.13847	11.6
233.15375	18.2
235.16806	10.7
242.45299	9.5
245.15355	15.9
405.31339	11.7
423.32449	10.0
433.30722	21.2
441.33536	10.7
451.32489	42.7
469.33557	42.4
487.08435	33.7
487.33926	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	485.2879
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	1.9
57.03441	4.2
57.07082	27.4
67.05513	6.3
69.07072	6.7
71.08644	19.0
79.05526	1.4
81.07069	11.8
83.08620	5.0
85.10191	9.4
89.06062	1.9
91.05509	2.3
93.07089	1.9
95.08612	13.0
97.10195	2.9
98.98473	26.1
105.07062	3.7
107.08608	2.8
109.10150	9.9
119.66168	1.5
121.10180	2.3
123.11732	1.7
133.10127	5.9
137.09598	1.8
155.01057	14.9
159.11728	2.0
161.04173	1.6
173.02065	2.7
215.10657	1.9
228.23233	1.7
239.23796	1.9
280.12100	1.5
313.27386	100.0
314.27597	2.1
354.70697	1.8
449.26819	6.8
484.47165	2.7
485.32117	3.0
485.47449	3.4
490.48901	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.3607
Annotation	Fomlactone B
Peak:m/z	Relative Intensity
53.21735	1.0
55.05530	1.1
57.07076	4.1
67.05510	2.4
69.07071	1.6
70.06583	2.6
71.08631	1.8
71.53121	1.6
77.66086	1.0
79.05488	1.3
81.07056	3.1
87.04477	1.4
87.42400	1.0
88.07626	2.6
91.05478	2.6
92.30066	0.9
93.07061	1.2
95.08613	3.7
97.10176	1.8
102.09196	1.8
104.08916	1.1
107.08566	1.2
109.10134	2.2
119.08612	1.9
121.10143	1.4
122.86075	1.0
133.10141	2.2
149.13245	1.5
189.16420	1.1
200.12492	1.2
200.20114	2.3
201.20457	1.2
228.23262	3.2
229.23631	2.2
275.01550	1.1
283.26361	3.2
284.26660	2.1
311.29330	1.5
312.29813	1.5
467.35489	1.4
485.36084	100.0
485.46707	14.2
486.36227	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.3634
Annotation	Regelin
Peak:m/z	Relative Intensity
53.03951	1.0
55.05282	1.2
55.05511	7.0
57.07084	9.0
57.98837	0.9
67.05518	7.2
69.03439	1.4
69.07076	7.8
70.06596	2.9
71.08636	2.6
73.06578	1.0
79.05505	9.2
81.07066	22.6
82.74273	0.9
83.04980	1.4
83.08629	4.1
85.06529	1.2
87.04456	2.5
88.07661	6.5
89.08003	1.7
91.05479	5.8
92.25784	1.0
93.07047	15.1
95.04994	2.5
95.08624	23.6
97.06554	4.6
97.10188	1.5
99.08102	1.7
102.09206	3.6
105.07018	8.5
107.04943	1.8
107.08608	20.1
109.06546	3.8
109.10165	18.7
111.08092	3.0
115.07580	3.3
119.08609	13.3
121.06544	1.8
121.10147	15.8
123.08091	2.3
123.11699	7.9
125.06001	5.4
129.07028	1.1
129.09134	3.3
130.07933	1.6
131.08571	5.4
133.10155	10.3
135.08066	7.7
135.11696	6.6
137.07013	1.0
137.09671	1.4
137.13310	2.1
139.07559	3.3
143.08575	3.7
145.10138	13.5
147.11722	5.0
149.09645	5.2
149.13307	3.9
151.11198	4.1
155.08459	1.3
157.10168	4.2
159.08080	3.2
159.11668	6.8
161.09671	4.2
161.13344	3.0
163.11238	3.7
163.14859	2.6
167.10670	6.3
169.10202	3.8
170.10898	1.2
171.11769	3.7
173.09641	7.6
173.13315	2.7
175.09956	0.9
175.11240	6.3
175.14891	2.8
177.09166	4.1
177.12804	2.8
177.16385	2.8
181.12288	3.7
182.10976	1.2
183.11838	2.3
185.13338	2.3
187.11212	14.2
187.14870	9.9
189.16466	3.8
191.10684	5.8
195.13864	2.4
197.13327	3.6
199.11084	1.0
199.14870	2.3
200.20128	4.5
201.12823	1.6
201.16444	2.9
201.20496	3.9
205.15988	5.5
209.13354	1.2
209.15421	1.2
211.14891	3.6
213.12817	1.4
215.14365	15.4
215.17963	1.3
217.15918	3.1
219.17505	1.5
223.14845	1.6
228.23247	4.7
229.15912	100.0
229.23627	4.1
230.16281	2.7
231.17474	9.4
233.15392	19.8
237.16353	1.8
237.18497	11.2
241.15961	1.3
243.17455	3.4
245.19043	1.9
247.16983	21.0
251.20155	7.0
255.17531	1.5
255.21120	1.4
257.19016	7.6
261.18655	1.5
269.19110	1.6
283.20630	4.5
283.26416	3.9
284.26685	6.4
297.22308	5.0
311.23761	1.1
311.29474	2.9
312.29810	5.1
315.23334	1.6
396.23749	1.1
435.32651	9.7
436.33405	1.2
453.33743	7.2
467.35272	59.7
468.35699	3.1
485.36386	87.4
485.47327	33.8
486.36450	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	484.2761
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.6
55.01876	3.9
55.05528	1.3
57.03448	8.3
57.07077	2.9
61.02924	4.0
63.76241	1.4
64.52235	1.3
67.05505	7.1
69.03439	12.0
69.07064	6.4
69.82854	5.9
71.01352	1.4
73.02931	17.7
79.05511	9.2
81.03425	2.2
81.07069	100.0
81.36500	1.4
82.07361	1.5
85.02918	30.4
87.04471	3.6
88.11023	1.3
91.05508	1.9
93.07063	1.5
95.08622	40.2
97.02895	21.7
101.18130	1.5
103.03963	2.9
107.08599	1.4
109.02895	4.4
109.10180	1.8
111.11708	1.4
115.03942	9.1
127.03947	10.6
133.05000	19.4
137.06001	3.5
137.13275	57.0
145.04968	18.4
155.14359	2.6
160.22124	1.4
163.06053	10.4
223.06099	2.6
241.07141	4.4
259.08096	14.5
277.09146	2.9
281.56372	1.5
295.10199	7.2
303.54620	1.3
309.96982	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.4727
Annotation	Unknow
Peak:m/z	Relative Intensity
54.89149	0.4
55.05519	2.1
57.07081	17.9
58.06589	1.3
63.66743	0.4
67.05505	2.4
69.07071	3.1
69.82114	0.4
70.06599	13.5
70.76189	0.5
70.76546	1.2
71.08635	8.5
73.02920	1.4
81.07066	2.7
83.08614	2.5
83.60878	0.4
84.08149	0.5
85.10186	3.8
87.04478	0.5
88.07637	20.2
92.20576	0.4
95.08609	3.6
97.10179	0.9
102.09189	13.0
106.08620	0.8
109.10155	0.7
114.85495	0.4
141.97139	0.4
184.20604	0.7
200.20142	2.3
222.98512	0.4
228.23236	45.2
229.23593	0.6
246.24336	4.3
255.23175	3.0
256.26385	1.7
277.64764	0.4
283.26331	49.1
311.29514	2.2
313.12939	0.4
452.93076	0.5
484.47290	100.0
485.47464	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	483.3838
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01224	6.8
51.80099	6.0
52.89881	6.1
55.05503	28.7
55.12179	7.4
57.07066	18.5
67.05511	43.1
69.03418	8.9
69.07075	46.5
71.08615	19.3
73.40935	5.8
79.05494	11.4
79.14678	6.7
80.40549	6.1
81.07055	84.7
83.08624	17.8
85.06562	6.9
89.06027	25.3
90.06373	8.4
91.05492	11.8
93.07053	33.7
95.08613	100.0
97.10156	20.3
105.07016	20.4
107.08593	64.6
109.06501	8.0
109.10155	90.8
111.11732	8.0
119.08560	38.4
121.10140	52.3
123.08087	6.9
123.11703	43.4
125.09641	9.8
131.08626	10.5
133.08578	19.9
133.10089	33.3
135.08023	7.2
135.11691	32.7
137.13223	12.2
142.25047	6.2
145.10144	20.5
147.11655	17.9
149.13269	24.5
151.97154	6.4
157.10069	10.2
159.11623	22.0
161.13310	17.1
163.14778	10.2
171.11674	9.7
173.13269	27.4
175.11142	13.8
175.14818	20.3
177.16443	15.3
187.14781	7.9
189.16386	13.7
191.17940	16.1
199.14859	14.6
201.73834	7.0
203.17964	13.0
205.19547	20.8
217.15826	12.6
217.19479	10.5
219.17392	10.1
231.21156	16.4
245.19261	8.1
283.17572	10.3
284.17850	9.6
302.94025	7.1
405.35110	30.9
423.36197	67.2
483.38229	96.4
484.47198	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	483.3837
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09901	0.7
55.05516	1.7
57.07074	2.6
67.05498	3.6
69.03436	1.6
69.07068	6.9
71.43778	1.2
79.05484	2.2
81.07067	10.2
83.04972	4.6
83.08622	2.1
89.06036	4.6
91.05481	2.7
93.07052	7.8
95.04971	1.1
95.08614	17.9
97.06516	1.0
97.10174	1.9
105.07027	4.6
107.08597	12.5
107.83178	0.8
109.06489	1.3
109.10168	10.0
111.11713	1.2
119.08576	7.2
121.06524	2.5
121.10146	11.0
121.35086	0.9
123.08073	2.4
123.11715	6.0
131.08595	1.3
133.08618	2.0
133.10132	7.0
134.08890	1.0
135.08063	3.6
135.11693	11.7
137.09601	1.2
137.13327	4.5
139.11134	1.3
145.10165	2.1
147.11697	4.7
149.09615	15.5
149.13278	3.4
159.11693	3.0
161.13226	2.9
163.11157	1.9
163.14847	2.4
173.13284	1.9
175.14816	2.0
177.12796	1.1
177.16429	3.0
187.14734	1.1
189.16406	6.4
191.17958	6.5
201.16476	1.4
203.17879	1.3
205.19594	1.8
213.16417	1.8
215.18004	3.7
233.18965	4.6
275.96188	0.8
277.18018	1.5
283.17566	1.5
283.26340	1.6
284.17926	1.7
287.23724	6.4
423.36185	2.8
483.38367	100.0
484.39102	4.1
484.47333	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	483.2722
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31152	4.2
55.05516	20.4
57.03434	6.9
57.07095	6.6
66.94516	3.3
67.05489	4.3
69.07067	32.5
70.10594	11.3
71.08631	8.4
79.05483	5.9
81.07066	5.5
83.08607	20.6
85.10152	5.3
93.07053	4.1
95.08620	4.0
97.10161	13.0
97.94843	3.2
98.98457	13.2
107.08611	4.5
111.11708	3.9
121.10122	4.2
134.89148	3.5
137.13248	3.4
155.01036	6.0
173.74570	3.5
194.55547	3.7
203.43437	3.4
221.48285	4.0
274.15549	4.0
311.22168	5.6
311.25827	100.0
483.30798	7.6
500.89383	4.0
503.32593	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	483.2958
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97348	5.9
53.03965	5.3
55.05502	18.4
57.03446	33.6
61.02933	79.2
65.04852	5.3
67.05509	100.0
69.03439	41.3
69.07063	25.2
71.01360	10.3
71.04998	8.2
71.50816	9.9
73.02934	32.8
79.05499	70.3
81.03412	28.0
81.07062	94.0
83.04980	9.0
83.08644	12.6
85.02916	86.8
85.06525	7.2
91.03953	50.9
91.05502	38.8
93.07061	69.0
95.04967	7.2
95.08617	75.9
97.02902	51.3
97.06563	7.8
99.04460	19.4
101.02396	16.3
103.03902	7.6
105.07023	30.8
107.08609	56.0
109.02865	10.6
109.06553	11.7
109.10168	35.7
115.03900	8.8
117.07036	15.3
119.08592	24.9
121.10170	35.6
123.11729	11.0
127.03923	36.3
129.05551	8.3
129.07051	10.9
131.08557	19.9
133.10120	13.8
135.08098	8.2
135.11697	21.0
145.04987	9.7
145.10136	26.3
147.11688	19.4
151.11230	6.5
155.84169	6.1
157.10097	10.5
159.11635	13.6
161.13287	10.3
173.13326	10.3
187.14778	7.9
247.20641	19.1
283.91873	6.6
285.92023	8.2
321.24286	84.2
331.07278	6.5
483.30075	31.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.3244
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	0.7
56.05030	1.3
57.03448	0.6
57.07086	2.9
58.06589	1.7
59.07381	0.6
60.08167	17.2
67.05500	0.7
69.07066	0.7
70.83135	0.7
71.07386	6.7
71.08622	1.5
81.07056	0.7
85.06501	0.3
85.10173	1.1
86.09711	48.3
95.08614	1.2
98.98483	3.8
104.10750	100.0
105.11102	0.5
109.10177	0.6
114.07921	0.3
125.00014	27.4
143.00980	0.3
163.01599	0.8
173.79044	0.3
176.45811	0.3
184.07353	97.9
185.07602	0.5
258.11142	1.3
299.25735	2.3
405.24017	0.6
464.31451	8.5
481.56125	0.3
482.32471	27.5
483.32623	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.0013
Annotation	Unknow
Peak:m/z	Relative Intensity
55.77850	0.6
56.96545	1.8
58.59903	0.5
65.82864	0.5
68.34103	0.5
69.68227	3.6
87.16430	0.6
90.15260	0.5
98.50520	0.6
98.96960	0.8
98.97600	12.7
107.05035	0.6
114.55083	0.6
116.97968	0.5
116.98631	6.7
134.99689	1.0
140.36292	0.6
156.96613	1.2
172.94408	0.8
174.97681	6.4
190.95610	1.5
192.98761	2.9
196.94638	0.6
198.97795	1.3
214.95668	11.2
216.98750	5.0
232.96733	18.6
233.96892	0.7
234.99832	4.2
238.95761	1.9
240.98923	1.3
250.97812	7.7
256.96735	40.2
257.96790	1.4
258.99939	7.3
273.99301	0.7
274.97778	62.0
275.97955	4.3
277.00882	5.1
278.01208	0.8
280.96597	2.8
283.00049	9.1
284.00143	1.8
284.99680	1.2
289.96353	0.7
290.95490	0.8
292.98813	7.9
297.99338	0.9
298.97781	82.5
299.97815	3.2
300.98019	1.2
301.01077	8.6
302.01593	0.6
303.00839	1.2
314.95712	1.0
316.98846	100.0
317.99020	5.0
318.99292	1.0
332.96722	1.4
334.99942	2.1
340.00415	1.5
340.98984	2.4
356.96915	0.9
358.99838	4.9
360.00348	0.6
374.98080	3.7
380.97101	1.6
398.97977	3.3
416.98996	11.8
422.97870	6.5
425.01242	1.1
440.98990	83.8
441.99118	5.4
443.02606	0.9
459.00027	74.3
460.00156	5.4
477.01181	0.9
482.01706	3.0
483.00571	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	483.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	2.2
55.01868	1.3
55.05502	2.7
55.97594	0.9
57.03445	1.1
58.74887	0.8
59.57520	1.1
67.05504	2.6
69.03439	7.0
69.07066	3.8
70.72826	1.4
70.73154	2.0
71.01366	1.1
71.05005	1.9
73.02890	1.3
79.05489	3.2
81.03432	8.6
81.07069	8.4
83.04992	1.6
83.08640	1.1
85.02921	13.6
85.06540	1.3
87.00826	4.9
91.05479	3.8
93.07063	5.3
95.04994	1.9
95.08625	8.3
97.02917	4.7
97.06554	1.1
99.04469	1.9
105.01866	3.1
105.07057	11.3
107.04959	1.8
107.08634	7.9
109.02911	4.9
109.06533	4.1
109.10179	4.1
111.08046	1.5
117.01844	1.5
117.07095	1.1
119.08590	13.0
121.06506	2.3
121.10191	6.1
123.08092	1.8
123.11720	1.3
127.03959	8.3
127.91250	1.0
129.07007	1.6
131.04964	1.6
131.08609	5.7
133.06442	1.3
133.10149	10.7
135.08078	5.1
135.11679	1.6
137.06029	1.0
137.09625	2.3
137.13275	1.8
141.01988	1.1
143.08577	4.3
145.04997	2.2
145.10104	4.6
147.08076	4.6
147.11717	4.9
149.09595	1.8
151.31512	1.1
153.09042	1.2
157.10188	5.3
159.02914	4.2
159.11719	21.3
161.09619	5.7
161.13298	2.5
163.11150	1.4
165.09253	1.3
169.10170	1.6
171.11742	2.9
173.05856	1.0
173.13289	3.8
175.11217	3.6
175.14847	26.1
177.12756	4.8
183.11667	1.4
185.13318	1.5
189.16357	5.7
197.13376	1.1
199.14897	10.5
217.15907	40.3
231.04897	1.7
235.16965	100.0
236.17149	2.2
319.68753	1.1
321.99484	1.0
346.70395	1.1
385.29495	0.9
465.29593	1.1
483.30713	1.1
492.15405	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.6
53.31313	0.5
53.53224	0.6
55.01866	1.2
55.05509	1.5
57.03439	4.2
59.04991	1.8
59.27313	0.6
61.02925	2.9
68.89693	0.6
69.03434	6.5
69.07064	1.6
69.97658	1.7
69.98077	1.4
71.05000	12.9
73.02926	6.7
73.06558	3.0
79.05497	3.4
81.03423	1.5
81.06597	0.8
81.07061	14.7
83.15466	0.6
85.02907	14.8
87.04475	1.1
91.05486	1.1
93.07052	10.9
95.08607	2.4
97.02304	0.8
97.02895	10.9
97.06537	1.0
98.20797	0.6
101.70004	0.6
103.03951	0.7
106.53626	0.6
107.08609	8.1
109.02907	1.8
109.10150	1.1
115.03938	4.1
127.03946	4.4
133.04985	4.7
135.11703	17.5
137.25273	0.6
142.68816	0.6
145.04982	5.7
153.12758	100.0
154.13095	1.6
163.06041	2.4
171.13799	1.0
177.67900	0.5
195.25154	0.5
223.06044	0.9
241.07057	1.7
259.08148	2.3
295.10269	1.2
330.46365	0.6
363.63010	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.2602
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	11.4
55.01879	8.7
55.99822	5.6
56.26812	5.3
57.07067	11.1
58.40053	5.9
67.05503	7.4
69.03431	15.2
69.07081	50.0
69.83566	26.9
71.05016	9.0
71.08648	6.7
73.02934	8.7
73.06538	8.2
79.90730	6.0
81.03423	17.4
81.07089	7.2
85.02909	40.4
87.00835	28.5
89.06036	27.3
95.08602	12.7
97.02917	36.6
98.56346	6.1
99.04478	12.7
105.01854	39.7
107.08604	7.3
108.64620	6.1
109.02904	19.4
111.11739	71.7
112.07613	5.6
119.08590	7.7
127.03929	46.4
129.12762	100.0
133.10106	7.8
145.04994	23.0
175.05338	7.0
199.16914	17.6
217.17963	12.8
231.04999	10.2
265.74841	6.6
482.32452	15.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.2604
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38094	1.0
53.03957	1.9
55.01886	9.6
55.05499	2.8
57.03446	23.6
59.05001	3.3
60.04531	2.5
61.02938	19.8
64.46930	0.9
67.05511	1.6
69.03439	35.0
69.07084	10.8
69.62925	7.6
71.01366	6.4
71.04999	2.0
72.04532	1.0
73.02928	100.0
79.64109	1.1
81.03429	7.9
81.07069	6.0
83.04995	2.8
83.08627	2.2
84.04527	1.4
85.02917	83.3
87.04470	5.6
91.03957	3.7
91.05486	2.1
91.27398	1.2
93.07074	2.9
95.08631	5.5
96.08952	1.2
97.02908	66.9
97.06551	3.3
99.04475	5.7
101.02365	1.4
103.03954	3.9
105.07053	2.0
107.08602	3.2
109.02898	7.4
109.10195	5.3
111.04469	1.5
111.08102	1.7
111.11739	5.4
111.38499	1.1
113.09632	1.5
114.05572	1.8
115.03946	37.4
119.08547	1.2
121.06522	1.9
121.10136	2.2
127.03941	28.6
131.04982	2.4
133.04988	38.7
135.11668	2.9
137.05991	2.7
137.09634	1.5
141.60498	1.1
144.06563	6.3
145.04980	40.4
145.06137	2.1
147.11690	1.7
149.09631	1.3
150.07626	4.0
153.12778	14.4
156.06607	2.6
159.11665	2.1
161.09680	1.4
162.07639	5.0
163.06058	12.5
171.13823	19.9
176.62306	1.0
180.08679	5.8
193.05008	2.4
199.06145	2.1
217.07140	1.2
223.06131	5.3
226.82935	1.1
231.13844	1.9
235.17020	3.8
241.07149	7.4
249.14766	5.8
259.08142	5.5
267.15967	3.2
276.10864	1.7
277.09247	2.6
294.11932	2.9
312.13092	1.7
370.34656	1.2
445.25162	1.1
482.20712	1.8
483.21835	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	482.2602
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36993	0.6
53.03951	0.7
53.67755	0.5
55.05513	1.1
57.03439	3.7
57.07081	0.6
59.05012	1.6
61.02922	1.4
67.05500	0.6
69.03455	5.0
69.07079	1.7
70.82970	0.7
70.83282	1.0
71.05003	12.2
73.02928	7.8
73.06574	2.9
77.08218	0.5
79.05484	2.5
81.03412	0.9
81.07069	14.6
85.02910	8.6
91.05485	1.4
93.07059	9.4
95.08624	1.7
97.02908	9.3
97.06513	0.7
98.32627	0.6
105.30344	0.6
107.08622	7.5
109.10175	1.6
115.03943	5.5
127.03929	2.6
133.04985	1.9
135.11710	20.1
145.05000	2.5
153.12767	100.0
153.31497	0.6
154.13091	2.5
163.06079	1.8
171.13821	0.9
223.06096	1.3
232.76488	0.6
241.07027	0.8
259.08203	1.1
420.71109	0.6
441.07077	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.8
55.01868	8.5
55.05511	4.8
57.03436	16.6
57.07057	2.7
59.04990	4.9
61.02924	13.0
67.05502	4.6
69.03430	33.0
69.07073	15.5
70.81319	5.4
71.04999	17.3
73.02920	42.0
79.05479	6.4
81.03439	10.4
81.07059	17.6
83.08617	3.4
85.02912	79.3
85.06554	2.1
87.04463	5.7
91.05502	10.3
93.06496	2.1
93.07049	27.0
95.04980	5.2
95.08610	8.5
97.02894	54.5
97.06510	3.5
99.04428	4.7
103.03915	4.0
105.07023	8.4
107.04955	2.4
107.08611	34.5
109.02896	8.8
109.06499	4.7
109.10142	11.3
111.04415	2.1
111.08075	2.3
115.03956	21.8
116.11344	1.9
117.07079	1.8
119.08562	12.9
121.06552	4.6
121.10168	3.7
125.13274	5.4
127.03919	24.9
131.04953	2.7
131.08586	4.1
133.04964	31.0
133.10083	3.9
135.11702	32.0
137.06027	2.0
137.09572	2.2
137.13188	2.7
143.08624	3.0
145.04974	29.0
145.10126	4.2
147.04338	3.4
147.08014	4.6
147.11702	3.2
149.09740	1.9
153.12755	100.0
159.07997	2.5
159.11737	2.0
163.06046	15.9
165.12753	6.9
165.93410	1.7
168.09319	2.0
173.09616	6.1
173.13268	3.0
177.12672	3.4
191.10788	2.2
195.13791	2.7
207.13811	6.2
215.14372	3.2
216.14682	4.5
219.13934	2.1
223.06064	5.8
226.43285	2.3
231.13776	3.5
237.14783	2.4
241.07123	7.7
259.08099	9.2
261.14844	3.9
267.15790	3.7
277.09042	3.7
279.16003	2.7
285.16885	6.6
295.10199	4.6
297.17017	6.9
308.33041	1.9
315.17987	15.9
333.19208	4.5
419.87561	2.0
482.19284	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	480.3091
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16994	0.6
52.08064	0.6
55.05278	1.0
55.05519	14.1
57.03445	8.5
57.07088	6.9
67.05191	0.6
67.05515	10.1
69.07077	20.0
71.07355	0.9
71.08646	3.3
71.25066	0.7
74.23603	0.7
79.05497	5.1
81.07069	11.4
83.04946	1.0
83.08624	12.9
85.10213	1.1
86.09730	3.7
87.10035	1.6
93.07054	7.6
95.08622	12.1
95.39426	0.6
97.06548	2.1
97.10172	6.8
98.98544	0.7
107.08634	4.0
109.10168	5.3
111.08095	1.3
111.11748	1.9
118.26880	0.6
121.10164	5.9
123.11720	1.3
124.01604	0.6
125.09673	0.9
135.11757	3.2
149.13277	1.1
153.12773	1.0
158.33469	0.6
163.14862	0.8
216.06206	0.8
219.36002	0.7
265.25296	1.1
308.29526	2.4
339.28989	100.0
340.29269	2.7
370.06094	0.6
480.33640	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	481.368
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03965	3.1
55.05504	11.3
57.07066	12.6
67.05508	17.3
68.94016	3.2
69.07091	20.1
71.05004	5.0
71.08610	5.8
71.25383	6.9
76.91396	3.4
79.05489	9.8
81.07067	39.3
83.08614	12.4
83.88154	3.2
89.06026	9.7
91.05482	14.8
93.07053	23.6
95.05000	4.0
95.08617	53.4
97.10164	4.7
105.07037	25.3
107.08611	55.3
109.09575	3.7
109.10186	40.5
111.08104	6.3
111.11726	5.0
117.07069	3.5
119.08602	21.5
121.10162	33.6
123.08082	3.0
123.11702	42.2
124.92591	2.9
129.07054	5.5
131.08574	17.3
133.08617	5.6
133.10144	26.2
135.11702	11.4
136.93904	3.2
137.13269	6.2
143.08583	14.0
145.10150	29.6
147.11691	9.2
149.13239	9.3
151.14835	17.5
151.82069	3.1
157.10153	18.5
159.08182	3.5
159.11713	29.2
161.13266	6.6
163.14821	8.1
169.10176	3.6
171.11734	10.6
173.13246	12.2
177.16396	16.6
181.15892	5.8
183.11768	7.0
184.12599	3.3
185.13268	14.7
186.14220	3.4
187.14767	4.8
189.16402	5.5
191.17882	4.0
197.13242	13.5
199.14856	5.9
201.16438	32.2
203.18077	3.7
209.13292	4.1
211.14795	7.2
212.15509	3.7
213.16351	5.0
219.17473	4.5
227.18016	34.0
233.19041	8.6
239.17717	4.9
241.19540	5.5
251.18033	5.1
255.21175	5.6
260.84906	4.1
265.19427	7.6
279.21005	4.7
283.17667	4.7
287.20209	6.2
313.25311	4.4
327.26660	15.7
351.26755	3.6
403.33835	20.2
421.34729	100.0
463.35571	4.2
481.37329	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	480.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	5.4
55.01876	8.4
55.05511	8.6
57.03444	17.6
57.07079	4.5
59.05006	4.2
61.02930	11.2
66.75609	2.6
67.05510	23.9
69.03430	36.6
69.07066	8.6
71.01370	3.7
71.04996	13.2
71.52153	5.1
73.02925	52.4
79.05495	7.2
80.05049	3.5
81.03425	7.5
81.07062	45.4
83.04984	65.6
85.02435	4.3
85.02911	55.6
85.06565	5.9
91.05489	13.3
93.07043	14.9
95.04977	29.1
95.08620	13.5
95.75772	3.2
97.02906	44.1
97.06554	2.8
103.03983	3.7
103.05468	6.2
105.07026	14.7
107.08614	21.9
108.04536	2.9
109.02914	4.9
109.06532	9.7
109.10152	19.6
113.06011	100.0
115.03945	18.1
117.07082	3.0
119.08594	5.3
120.08086	4.7
121.06505	3.8
121.10172	11.2
123.11717	44.5
124.03956	12.5
125.09586	2.9
127.03925	16.7
131.04959	11.7
131.08556	2.9
133.04941	18.8
133.10120	17.7
135.11739	4.7
137.05966	6.0
138.05522	3.4
139.11281	3.3
140.03418	5.2
145.04962	15.2
147.08037	3.6
151.11188	39.6
156.06572	4.7
159.11703	4.6
163.06050	6.4
163.11185	3.3
166.08667	3.6
169.12257	15.7
178.97545	2.9
223.06151	4.1
241.07112	5.7
247.13400	3.5
259.08136	3.9
280.86969	2.9
281.26279	2.6
283.15469	9.3
283.19034	6.1
289.05276	6.1
318.06921	7.8
380.26453	2.6
480.18677	4.5
481.16608	15.0
492.94049	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2809
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	5.8
55.01873	6.3
55.05522	8.5
56.09077	1.4
57.03427	6.6
57.07077	3.9
57.08949	1.5
60.04526	3.8
61.02940	9.0
61.26038	1.8
67.05510	15.8
68.99787	3.1
69.03435	32.0
69.07063	4.5
70.76975	4.9
71.05000	6.8
73.02901	3.4
79.05490	4.1
80.05026	31.6
81.03432	17.4
81.07065	31.6
83.04998	2.4
83.08632	7.3
85.02913	83.6
87.00838	36.2
87.04461	1.9
91.05495	4.8
93.07051	3.5
95.04993	3.1
95.08619	34.1
97.02896	29.1
97.10188	10.7
99.04459	8.7
103.03909	1.8
103.05451	4.1
105.01875	56.1
105.07047	3.8
106.04182	2.1
106.06586	4.3
107.04973	3.1
108.04490	100.0
109.02885	19.1
109.10163	45.2
115.11174	2.1
119.08579	3.3
120.04475	6.3
121.06518	5.3
122.06055	3.4
123.11716	40.7
124.03977	4.0
127.03925	49.0
129.01866	2.4
131.01003	1.6
131.04945	6.8
132.04468	1.8
132.05742	3.3
133.06480	2.3
133.10143	3.4
134.06036	31.7
137.05931	4.8
137.13264	13.8
140.03439	3.6
145.04980	25.3
145.10152	2.1
146.06042	10.0
149.06010	8.4
150.05501	1.6
152.59718	1.8
153.09093	2.0
159.02916	5.3
161.05998	3.3
162.05553	2.0
163.07553	2.6
164.07094	15.4
167.07080	12.2
177.05499	7.1
177.16440	2.9
179.07063	2.5
179.17972	38.2
181.08604	4.5
191.07033	18.6
192.07819	9.2
193.08661	2.9
197.19016	23.0
203.48093	1.6
209.08110	46.4
209.09930	2.8
213.04015	2.5
225.60666	1.6
231.05045	16.3
249.06079	11.8
268.09769	4.5
283.15341	3.0
288.12347	5.5
300.12491	8.1
313.88699	1.8
318.07031	4.7
318.13458	22.6
318.26358	3.1
436.20279	4.0
445.23889	2.1
480.19189	20.2
480.25778	2.9
480.31992	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	480.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53087	1.9
54.22556	2.3
55.01874	16.2
57.03439	23.8
57.07076	2.6
59.04977	3.0
61.02931	19.3
67.05479	3.0
69.03430	52.8
69.07069	62.5
69.29890	8.5
69.30310	8.1
71.01343	6.1
71.04977	3.1
73.02919	100.0
81.03416	10.1
81.07059	20.1
82.33673	1.9
83.04949	2.1
85.02908	97.8
87.04449	6.3
93.78585	2.5
95.08586	5.0
96.04545	2.3
97.02889	89.9
98.21484	3.5
99.04444	4.6
103.03946	4.4
105.06982	3.4
107.08536	2.7
109.02872	8.6
109.10152	8.0
115.03924	40.7
116.39983	2.3
121.10162	2.3
123.11706	85.9
126.05462	2.0
127.03930	38.2
133.04965	49.5
133.10115	2.3
141.48619	1.9
144.06589	3.2
145.04967	51.8
150.07661	2.9
151.11186	81.1
163.06073	14.1
169.12308	12.7
193.04974	2.6
223.05986	9.2
241.07072	6.6
259.08203	10.3
277.09119	2.7
283.15433	28.0
306.93808	2.4
314.07150	2.1
403.96732	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91152	4.4
52.38955	3.9
53.14928	3.8
55.01871	7.8
55.05507	7.6
59.04988	12.3
67.05500	15.6
69.03415	9.0
70.06584	4.2
71.09484	9.1
79.05489	10.5
81.07070	12.5
83.04989	54.1
85.02901	13.7
86.09677	4.5
89.02370	8.2
91.05478	34.3
93.07044	21.3
95.04988	14.2
95.08622	28.2
105.07033	30.4
107.04951	15.0
107.08566	13.1
109.06520	8.1
109.10165	11.0
111.04472	6.6
117.07011	10.8
119.08587	38.4
120.08135	4.5
121.06538	7.9
121.10126	7.8
123.04430	4.6
123.08097	9.1
125.51202	3.8
127.03974	5.2
128.06241	4.5
129.06989	4.6
131.08559	16.1
133.10155	31.8
135.08078	9.2
137.09612	28.6
139.03941	5.3
143.08571	21.0
145.10152	28.0
147.08066	31.3
149.09615	12.0
159.08031	9.1
161.09627	83.9
165.09102	38.4
171.11786	4.8
173.13295	6.3
177.09108	40.7
179.10680	5.6
183.11671	9.8
189.09108	63.6
195.10236	9.3
201.12730	18.2
205.12271	7.9
207.10188	47.3
217.12242	15.6
219.13808	15.2
225.11259	18.0
229.12242	27.0
235.13255	13.6
247.13370	30.9
265.14362	61.6
283.15417	81.2
301.16483	100.0
317.06494	8.9
318.06918	9.8
319.04495	17.2
333.06100	9.5
334.06592	25.0
370.65549	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	480.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27522	0.8
53.03946	1.4
55.01858	2.2
57.03442	5.6
61.02936	9.2
63.98204	0.8
65.03927	1.0
69.03095	1.1
69.03436	16.5
70.06590	1.8
70.37547	1.9
70.37975	2.5
71.04975	2.7
73.02936	4.1
73.03286	1.0
81.03428	9.2
85.02912	100.0
86.03212	1.1
87.04448	2.8
91.03966	5.0
91.05452	3.1
93.07039	3.2
97.02898	28.4
98.20802	0.9
99.04463	4.9
103.03871	1.3
103.05470	1.8
109.02881	10.7
109.06569	1.0
115.03879	1.1
117.06991	1.2
119.08523	0.9
120.08125	1.3
121.02892	6.1
121.06511	56.8
122.06824	1.1
127.03928	24.9
127.59109	0.8
129.06998	0.9
131.08597	2.0
137.05989	2.5
138.05489	1.1
141.06966	1.3
145.04976	48.3
145.06413	2.7
151.07507	2.0
157.06467	2.6
159.08067	5.7
161.05972	1.0
163.06041	14.6
163.07394	1.8
169.06487	1.1
175.07541	2.4
179.07036	2.8
183.07964	1.1
185.05814	1.3
187.05899	1.4
187.07556	20.6
189.09010	1.2
201.09074	1.8
205.08617	18.0
211.07481	1.1
217.08575	2.5
229.08592	6.8
232.70688	0.8
235.09663	1.8
247.09682	7.6
265.10727	7.6
289.55161	0.9
297.05875	1.5
317.11377	1.6
318.13428	1.1
319.04428	7.1
325.11310	1.6
407.15097	0.9
415.15167	0.8
481.18307	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	5.4
55.01876	8.4
55.05511	8.6
57.03444	17.6
57.07079	4.5
59.05006	4.2
61.02930	11.2
66.75609	2.6
67.05510	23.9
69.03430	36.6
69.07066	8.6
71.01370	3.7
71.04996	13.2
71.52153	5.1
73.02925	52.4
79.05495	7.2
80.05049	3.5
81.03425	7.5
81.07062	45.4
83.04984	65.6
85.02435	4.3
85.02911	55.6
85.06565	5.9
91.05489	13.3
93.07043	14.9
95.04977	29.1
95.08620	13.5
95.75772	3.2
97.02906	44.1
97.06554	2.8
103.03983	3.7
103.05468	6.2
105.07026	14.7
107.08614	21.9
108.04536	2.9
109.02914	4.9
109.06532	9.7
109.10152	19.6
113.06011	100.0
115.03945	18.1
117.07082	3.0
119.08594	5.3
120.08086	4.7
121.06505	3.8
121.10172	11.2
123.11717	44.5
124.03956	12.5
125.09586	2.9
127.03925	16.7
131.04959	11.7
131.08556	2.9
133.04941	18.8
133.10120	17.7
135.11739	4.7
137.05966	6.0
138.05522	3.4
139.11281	3.3
140.03418	5.2
145.04962	15.2
147.08037	3.6
151.11188	39.6
156.06572	4.7
159.11703	4.6
163.06050	6.4
163.11185	3.3
166.08667	3.6
169.12257	15.7
178.97545	2.9
223.06151	4.1
241.07112	5.7
247.13400	3.5
259.08136	3.9
280.86969	2.9
281.26279	2.6
283.15469	9.3
283.19034	6.1
289.05276	6.1
318.06921	7.8
380.26453	2.6
480.18677	4.5
481.16608	15.0
492.94049	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	0.4
65.02695	1.3
66.03465	0.5
66.82543	0.2
69.03415	0.4
69.48893	1.5
79.04221	0.4
79.05476	0.4
81.07081	0.2
81.94805	0.2
83.04996	1.3
83.08617	0.3
87.93935	0.2
91.05488	0.3
94.02944	0.3
95.03725	0.7
95.04937	0.3
95.08642	0.4
96.04476	0.4
97.02915	0.2
98.21537	0.4
99.70864	0.2
105.02122	0.6
105.07040	0.4
107.08582	0.7
108.08938	0.3
112.03952	0.5
119.08598	0.4
121.10165	0.5
122.02396	2.6
123.03177	3.1
123.08077	0.4
131.08592	0.5
135.08093	0.3
135.11707	0.2
137.05956	0.2
137.09581	0.3
138.05511	0.7
140.03433	100.0
141.03781	0.7
147.08057	0.4
149.06091	0.3
149.09583	0.3
151.07532	0.3
157.06586	0.3
157.56509	0.2
159.08072	0.8
161.09648	0.2
165.09135	0.2
175.07532	0.5
177.09192	0.6
177.16408	0.3
193.08604	1.1
205.08662	0.4
217.12282	0.4
233.11690	0.3
235.13385	0.4
263.12946	0.4
318.06985	0.6
324.43423	0.3
382.19214	0.2
438.17563	0.8
480.18692	31.1
481.19083	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.2
53.25756	0.9
55.01872	1.6
55.05499	2.0
56.96304	1.3
56.96570	21.7
57.03439	5.7
58.96747	0.8
59.04995	2.0
60.04514	0.9
61.02919	3.3
61.15511	1.0
69.03432	15.6
69.07476	0.9
70.06598	2.5
70.46945	0.9
70.63642	2.1
71.01353	5.9
71.04984	2.6
71.95256	1.2
72.08141	2.8
73.02914	5.7
73.06560	1.5
79.05516	1.4
81.03424	5.6
83.01324	1.0
84.08153	2.3
84.96041	6.2
85.02912	26.0
86.03230	1.5
87.04467	6.2
89.10776	1.1
91.03957	1.4
91.05491	1.9
95.01329	1.3
97.02899	17.3
97.99186	1.9
98.03180	1.4
98.97594	100.0
99.04454	3.3
101.00887	2.2
101.06035	0.9
102.96920	1.0
103.03995	1.3
107.14371	0.9
109.02892	3.4
110.97575	16.7
111.04443	1.0
112.99136	3.8
113.02355	2.6
115.03950	1.6
116.00211	2.1
116.97833	1.6
116.98634	30.2
117.03972	1.0
119.01849	3.1
123.04474	1.1
124.99107	2.1
126.97057	1.6
127.00685	2.1
127.03950	6.9
128.98621	13.1
129.01920	2.9
131.00166	3.2
131.01891	1.5
133.01662	1.1
133.06534	1.0
134.99646	5.6
137.05960	2.9
138.05443	2.6
140.02361	1.1
140.98589	2.8
142.01816	1.2
143.00154	4.0
143.01935	2.8
144.98056	3.6
145.01721	3.4
145.04976	6.6
146.04140	1.5
146.99658	4.3
147.03264	6.8
147.04420	3.2
152.98607	3.5
155.01846	1.4
155.04686	7.3
155.54733	0.9
156.02159	1.1
156.03346	2.0
156.98129	1.5
157.03419	1.2
158.99666	49.0
160.00227	0.9
161.01244	3.3
161.02905	3.9
161.04749	3.2
162.99171	1.0
163.02757	2.4
163.03944	1.3
164.05154	2.4
165.04373	2.8
167.07050	2.8
168.03395	1.2
168.05402	4.9
168.55580	1.9
168.98087	1.2
169.04411	2.8
170.05209	3.6
170.99687	8.2
171.03288	3.5
173.01303	1.6
173.02820	1.6
173.04889	1.9
173.06419	1.1
174.04439	2.9
174.99153	3.9
175.02812	2.3
177.00740	27.6
177.04227	4.1
177.05663	1.7
177.56111	1.2
178.04974	1.1
179.07086	1.3
182.04907	2.6
182.99725	1.7
184.06346	1.7
185.06548	2.1
186.99251	1.6
187.02765	1.5
189.00731	5.4
189.04317	8.3
191.02301	1.2
192.04669	3.0
200.02263	1.2
200.05980	17.1
201.00696	4.4
201.04382	1.5
202.07635	1.3
203.07666	1.4
205.00169	1.4
205.03816	1.2
207.05441	2.6
211.05478	3.3
215.07681	1.0
217.03786	1.2
218.07045	5.8
218.99812	2.0
219.01794	26.3
219.05199	1.8
220.02107	1.6
221.05093	1.6
225.05107	1.8
227.06735	2.9
228.05449	1.8
231.05449	3.6
232.05966	1.4
233.06889	1.6
237.02838	29.0
238.03430	1.1
239.04414	1.3
246.02664	1.2
246.06491	6.9
249.06396	1.5
250.06879	1.3
255.03978	1.8
258.08713	1.0
259.08383	1.7
261.02707	1.4
264.07657	1.3
267.08109	1.2
272.56750	1.2
273.05740	1.1
275.09503	1.3
276.10205	1.1
291.07483	21.1
293.10745	2.6
302.11084	1.4
309.08594	51.1
310.08929	2.3
313.07025	1.3
321.08438	2.6
325.60672	1.2
332.10181	2.4
333.04715	1.0
335.09933	2.2
339.10168	1.3
340.10892	2.6
345.01202	1.5
349.11459	1.5
351.09659	70.6
352.10074	1.5
380.12097	2.3
382.08459	1.0
389.04468	1.3
389.09567	1.0
420.15509	5.2
436.14899	4.2
480.18036	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	480.1568
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	2.1
56.96572	13.4
57.03445	4.0
58.99853	0.8
59.04986	0.9
61.02914	1.1
66.95761	0.7
68.37337	0.7
69.03438	11.5
69.07040	0.7
70.03711	0.8
70.06567	1.0
70.98125	0.6
71.01338	3.2
71.04971	2.8
71.49605	1.0
71.95264	0.8
72.08129	1.3
73.02918	3.4
74.97599	0.8
75.88889	0.7
78.72031	0.6
81.03387	3.0
81.51798	0.7
82.01473	0.8
82.99863	2.0
83.04972	1.4
84.04477	0.9
84.08157	12.0
84.96008	2.2
85.02914	19.8
86.03239	0.7
87.04500	3.5
91.03968	1.7
91.05447	1.2
91.35696	0.6
95.04943	1.1
97.01394	1.2
97.02898	10.0
98.97592	25.0
99.04434	2.3
99.97909	1.0
100.02529	1.5
100.99139	1.1
101.00892	20.6
102.00911	1.0
107.04990	0.7
107.08502	0.7
109.02866	2.4
110.02989	0.8
110.97611	3.4
111.04436	1.4
112.99129	3.0
113.00832	2.8
113.02331	0.9
115.00663	1.0
115.02495	3.5
115.03895	1.1
116.97838	0.8
116.98634	11.2
117.03989	1.5
118.03507	2.7
119.01933	33.6
120.01994	1.5
123.04398	2.7
126.09184	5.0
127.00694	1.7
127.02448	1.2
127.03934	9.3
128.02397	0.8
128.98637	3.6
129.02231	1.6
129.03964	2.1
129.05449	0.9
131.00133	2.7
131.01912	6.3
131.04875	0.9
132.05089	4.7
133.03482	5.5
134.03563	1.0
134.99619	3.4
135.04312	0.8
137.02960	2.2
137.05980	1.5
138.05438	1.1
139.02412	2.1
139.03958	3.5
140.98662	0.7
141.03888	0.7
143.00148	2.1
143.01904	8.4
144.98080	1.2
145.01764	3.5
145.03496	5.3
145.04974	5.7
146.02092	0.9
146.03658	0.9
147.03227	2.0
147.04288	1.2
147.05121	1.5
148.03619	0.7
149.01190	1.4
149.02892	0.9
150.06102	1.5
153.03128	1.1
154.94171	0.8
155.00136	1.2
155.01929	3.3
156.05066	6.4
156.98003	0.9
157.03485	35.4
158.03539	1.9
158.99628	4.6
159.03113	1.3
159.05048	2.7
161.01230	2.5
161.03003	11.8
161.05525	3.0
162.03394	0.8
162.05486	0.8
163.02766	2.2
163.04486	3.6
165.00606	0.8
165.05452	0.8
166.07230	1.5
168.08731	3.9
169.01950	1.1
169.03267	4.6
169.04626	1.1
170.99608	2.9
171.01044	0.7
171.05118	5.6
173.01208	3.1
173.02940	4.1
173.06696	0.8
174.03038	0.7
174.06175	4.1
174.99173	1.0
175.02992	1.0
175.04543	23.3
176.04742	1.3
177.00716	2.3
177.04198	1.6
177.05942	1.1
178.04932	2.8
179.02277	2.1
181.05591	1.0
182.08192	1.2
183.05014	2.1
184.04849	1.0
184.06474	2.1
184.08200	23.8
185.02968	2.6
186.04523	1.0
186.09778	14.9
186.99240	0.9
187.02885	1.3
187.04527	3.5
189.00713	3.0
189.04454	1.1
189.06046	2.5
191.02255	4.2
191.03842	1.2
192.02588	1.6
192.04613	1.1
194.06789	1.4
195.07292	0.8
197.03049	2.4
198.06221	1.0
199.04536	1.0
201.00711	2.3
201.06062	3.1
201.07809	0.8
202.09267	44.7
203.03969	1.7
203.07587	1.0
203.09349	1.2
204.10829	2.9
205.03798	1.6
205.05562	7.5
208.08195	2.5
209.03246	3.2
210.09810	0.8
212.05907	1.2
212.07729	16.3
213.06133	1.1
214.96397	0.8
215.02284	1.5
215.07610	1.1
219.01807	5.4
219.07196	1.3
220.10275	1.2
221.05090	4.6
222.09821	2.1
223.06657	43.4
224.06885	2.2
225.06363	1.0
226.09245	11.7
227.04283	1.4
227.57826	0.9
228.10809	3.2
230.06541	1.1
230.08791	22.0
231.07207	1.1
233.03290	2.3
234.03635	1.4
237.02823	3.3
239.04384	2.6
240.10826	8.1
241.07706	4.7
242.08124	2.5
242.12329	0.8
244.10263	1.7
245.05252	3.9
246.05070	0.9
247.06616	4.6
248.09834	5.2
250.07176	2.2
251.04454	1.3
252.10788	1.1
254.08743	2.4
255.07126	0.9
257.04718	1.3
259.07559	2.8
260.01828	0.9
261.02805	2.0
261.08328	4.2
265.07718	100.0
266.07843	5.0
268.10471	0.8
272.09723	1.2
277.02148	1.6
279.03790	1.0
279.09351	4.9
287.05429	3.3
291.09235	1.9
292.09897	1.0
295.03394	0.7
296.04059	0.9
298.07513	1.0
301.07065	0.9
305.10754	1.2
306.05917	0.8
309.06699	6.3
311.29974	0.7
316.09137	1.3
316.12485	1.4
318.10815	1.7
319.08670	1.0
321.10345	9.1
322.10590	3.6
323.06287	0.8
330.14011	13.3
332.15472	0.8
333.10367	1.0
337.08466	1.1
348.15109	19.7
349.15134	1.8
350.08182	0.8
351.11288	1.9
358.13382	1.2
361.02451	1.5
365.09280	1.9
376.14584	31.2
377.14609	1.5
383.08881	1.2
394.15634	92.0
395.15854	3.6
418.15634	1.9
436.16641	18.5
461.17297	0.8
480.15576	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	479.3736
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	33.9
57.07080	24.6
67.05515	32.1
69.07076	54.8
70.60160	4.4
71.04980	19.2
71.08626	11.3
71.51289	6.1
71.51682	6.5
79.05471	5.6
81.07063	81.6
83.08628	41.0
85.06516	4.3
85.10199	7.7
85.27069	4.8
89.06035	17.6
91.05457	5.4
93.07029	14.4
95.08616	58.0
97.10188	23.4
99.04463	8.5
101.03843	5.0
105.07037	9.7
107.04989	5.3
109.06524	7.8
109.10162	39.3
110.42142	4.3
111.11714	18.7
113.06048	7.5
119.08580	8.2
121.10157	10.9
123.11707	28.3
125.01354	5.4
125.05994	70.3
125.13268	10.1
127.03953	24.2
131.08585	5.2
133.08595	12.5
133.10124	10.3
135.11673	9.3
137.06000	100.0
137.13254	10.5
142.07751	5.1
149.13231	7.4
161.09641	4.7
161.13268	4.9
163.14786	5.0
164.48946	4.9
167.07065	51.7
171.11667	5.0
213.12839	7.3
219.13744	6.8
335.33252	7.2
396.16882	4.9
425.34198	7.8
433.15411	4.9
443.34341	5.8
479.36008	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	479.3741
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50484	6.0
53.03938	8.5
55.05519	40.1
56.28661	8.2
57.06885	5.4
57.07087	70.2
60.46623	7.2
62.84872	6.6
67.05523	34.6
69.07076	83.1
70.72723	16.3
71.08640	59.2
79.05498	18.9
81.07072	86.0
83.05006	13.9
83.08628	37.1
85.10183	29.2
85.69820	6.8
87.04467	22.3
89.41850	6.3
93.07051	27.2
95.08611	100.0
97.06549	13.4
97.10193	46.4
99.04467	14.7
105.07041	19.0
107.08620	30.8
109.06537	13.5
109.10177	69.3
111.08093	17.2
111.11743	16.0
113.06046	8.3
119.08610	23.5
121.10172	29.2
121.61301	7.1
123.08100	11.3
123.11721	25.6
125.06003	21.8
125.09634	9.3
125.13304	12.0
127.03945	15.7
127.07554	30.4
133.10133	14.8
134.64801	7.3
135.11720	26.2
137.13309	9.6
147.11777	11.5
149.13287	22.6
153.05495	26.4
155.07051	75.6
155.10709	7.6
161.13231	10.8
163.14899	11.9
165.16440	8.2
167.07086	7.2
175.14845	14.2
188.39038	6.6
191.17972	7.9
214.69511	6.6
260.47549	8.0
289.29074	10.5
295.31281	7.7
305.42480	6.4
315.30533	42.2
317.32230	9.7
333.31506	74.2
351.32553	25.4
352.33310	10.8
381.33740	38.9
419.35486	52.5
479.35165	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	479.3738
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	3.3
55.05516	30.4
57.07082	100.0
59.04998	4.8
60.08303	2.2
67.05511	18.8
69.03422	3.9
69.07073	49.9
71.05002	2.7
71.08636	77.2
71.52059	3.7
79.05498	19.6
81.07066	55.0
83.02477	2.6
83.04984	10.8
83.08620	32.2
85.06557	5.6
85.10190	46.4
87.08080	2.2
89.06022	4.0
91.05497	4.8
93.07047	38.5
95.04987	3.6
95.08617	35.7
97.06544	5.6
97.10181	21.7
99.04461	2.8
99.08089	5.7
99.11726	7.0
101.06019	31.6
105.07050	5.9
107.08601	35.0
109.06529	21.2
109.10172	21.7
111.08096	10.2
111.11733	13.6
112.47100	2.3
113.13293	3.5
115.07575	8.2
119.08561	4.3
121.10146	22.3
121.97765	2.5
123.08106	3.3
123.11723	7.8
125.05994	10.5
125.09634	6.0
125.13363	2.5
127.07571	89.8
127.11145	2.8
127.14882	2.8
129.05490	68.4
131.08600	3.7
133.10089	3.3
135.08121	3.3
135.11716	15.1
137.06030	5.4
137.09576	2.6
137.13266	5.2
139.07564	8.5
139.11180	3.3
143.07054	6.1
145.10132	4.7
149.09669	3.8
149.13290	18.5
151.07568	5.5
153.09134	4.3
153.12769	5.5
157.08669	4.5
163.14865	15.4
167.10741	3.1
167.14299	5.6
171.10323	3.1
177.16434	9.3
181.15862	4.0
183.06557	7.5
189.16452	2.4
190.33723	2.3
191.14330	2.6
191.17917	5.6
195.17528	3.4
197.08084	3.5
205.19478	5.6
209.19044	4.4
219.21088	5.1
222.55473	2.7
223.16901	3.1
223.20500	4.1
227.16562	3.0
233.22644	3.3
235.66472	2.6
237.22122	3.2
241.17978	2.6
251.23767	3.7
255.19620	3.0
269.21198	3.5
289.28824	11.1
307.29956	8.2
335.29584	3.0
360.91321	2.4
417.37305	2.6
433.36829	5.0
479.34949	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	479.3734
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31362	2.5
55.04409	2.3
55.05516	29.5
57.07080	100.0
59.05001	2.3
67.05510	15.9
67.16062	2.3
69.07072	44.7
69.34431	8.3
69.34855	13.6
71.08635	78.5
75.06748	2.6
79.05502	15.7
81.07063	56.8
81.42886	2.4
83.04993	12.8
83.08627	30.8
85.06533	4.4
85.10187	44.3
87.04464	3.6
91.05496	3.7
93.07047	40.4
95.08615	37.0
97.06537	9.0
97.10170	15.1
99.08099	7.3
99.11742	5.1
101.06020	38.7
105.01077	2.4
105.07061	2.8
106.41331	2.2
107.08601	35.1
109.06524	13.1
109.10153	17.9
111.08102	7.3
111.11715	13.4
113.09633	5.1
113.13320	3.6
115.03944	2.6
115.07561	6.6
119.08612	4.0
121.10169	16.8
121.57498	2.3
123.11681	7.1
125.05983	7.5
125.09651	5.3
125.13276	5.1
127.07568	89.7
127.14813	5.0
129.05484	90.9
129.09131	3.0
129.36194	2.4
135.08107	2.7
135.11667	23.1
137.13263	8.2
139.07529	6.6
139.11137	3.2
139.14760	2.7
143.07053	8.5
149.09569	2.8
149.13324	17.0
151.14832	3.5
153.09120	3.7
153.12755	6.5
155.06995	5.1
157.08615	3.5
163.11159	3.7
163.14815	16.2
165.16420	2.4
167.10675	4.2
167.14301	6.9
177.16368	10.4
181.12242	3.5
181.15892	6.6
185.11726	3.5
191.14388	2.7
191.17937	8.3
195.13818	4.1
195.17584	5.7
199.13321	3.5
205.19498	6.3
209.15326	3.6
209.19092	8.4
213.14810	3.3
219.21082	3.9
227.16364	4.3
233.22533	3.4
237.18727	2.6
237.22079	5.4
251.23705	5.4
289.28867	10.8
307.29932	10.1
317.28418	3.0
318.66519	2.8
333.31442	4.7
335.29562	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	479.3736
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	2.3
55.05508	10.7
57.07081	74.0
58.31596	1.7
58.41235	1.7
60.74624	1.7
65.08943	1.7
67.01862	2.3
67.05505	5.7
69.07070	14.9
69.17597	19.6
71.05001	12.6
71.08638	73.8
74.83689	1.8
77.17191	1.8
78.37980	1.8
79.05489	5.1
81.07042	8.7
83.08637	11.4
85.02929	2.0
85.10186	43.9
89.05498	2.9
89.06036	40.9
91.05455	4.2
93.07072	9.4
95.08593	7.1
97.10159	6.1
98.21144	10.8
99.04454	5.0
99.11726	6.6
105.07016	8.7
107.08585	8.9
109.06506	3.1
109.10130	6.6
111.04440	4.2
111.11702	3.1
113.13280	2.4
117.07060	2.3
119.08566	5.7
121.06495	2.7
121.10146	5.4
123.04454	3.1
123.08092	2.8
123.11755	3.3
125.06003	62.4
128.79346	1.8
131.08521	2.9
133.10115	2.3
134.92577	2.1
135.08046	6.1
135.11624	3.0
135.55452	1.9
137.05966	6.2
139.07545	5.5
141.05434	7.2
141.16400	2.2
145.10110	3.5
147.11703	3.5
149.05937	3.5
149.09666	4.2
149.13280	2.3
151.07552	30.7
153.05481	100.0
153.09111	4.6
155.07062	2.5
159.11685	4.8
163.07599	12.9
163.11163	2.7
165.09120	35.0
167.07056	3.4
173.09650	2.8
177.09134	16.2
177.12659	2.4
179.10701	9.4
181.08563	4.5
183.06551	22.6
187.11139	6.0
191.10681	10.6
193.12292	3.2
195.10143	6.0
205.12250	6.6
207.13673	3.0
209.11754	5.7
215.14171	4.0
219.13904	2.4
223.13307	4.9
233.15421	4.0
237.14859	6.1
247.17033	2.7
251.16464	8.3
251.29626	1.9
261.18463	2.8
265.18008	8.7
275.19989	2.2
279.19534	9.8
289.21506	2.4
293.21155	8.5
307.22638	6.8
321.24268	4.5
335.25687	4.6
347.29391	3.3
358.76031	2.5
419.35281	49.4
433.36700	5.7
461.35428	2.1
479.34964	73.3
480.36017	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1188
Annotation	isorhamnetin-3-O-glucoside
Peak:m/z	Relative Intensity
57.03439	0.6
59.05009	0.7
61.02917	2.0
69.03436	4.6
70.85336	0.9
81.03413	1.9
85.02904	9.5
87.04494	0.7
92.02609	1.1
93.03410	1.4
97.02898	4.3
105.03355	0.7
109.02892	1.4
121.02880	0.7
127.03909	1.3
139.03909	1.2
140.03468	1.2
145.04971	1.9
151.03925	1.0
153.01833	8.9
164.32697	0.6
165.01826	1.0
165.42964	0.7
175.93561	0.5
183.24806	0.7
184.05612	0.6
201.05508	1.2
217.05052	0.8
228.04208	1.2
229.04958	3.3
245.04509	0.9
246.05289	1.3
257.04443	2.8
273.04022	2.2
274.04755	4.4
285.03873	4.9
302.04233	13.6
317.06586	100.0
318.06769	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1895
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.6
55.05500	1.0
61.44996	0.4
65.13615	0.5
67.05502	1.5
68.99795	0.6
69.03432	1.7
69.07072	1.5
69.57113	2.1
69.57542	1.8
71.04994	0.7
79.05515	1.3
81.07053	3.2
83.04977	0.9
85.02901	0.8
91.05486	1.4
92.97526	0.5
93.07032	1.7
95.04990	1.2
95.08611	3.2
97.02930	0.7
97.06517	0.7
99.08154	0.5
102.80421	0.5
103.05464	1.4
104.10753	0.6
105.07048	2.2
107.08603	2.2
109.06520	1.8
109.10155	1.5
111.04439	0.6
111.08078	0.9
117.07013	0.5
119.08601	1.9
121.06538	1.0
121.10146	2.0
123.04443	0.6
123.08054	2.8
123.11741	0.9
125.09620	0.8
127.03930	0.9
131.04974	1.7
131.08549	1.4
133.10165	2.1
135.08089	1.9
137.05991	1.7
137.09648	0.9
139.03893	1.5
143.08582	0.9
145.10182	1.4
147.11696	0.8
149.09662	1.0
151.03960	0.7
151.07526	0.6
159.11717	0.8
161.09639	0.6
163.03893	0.8
165.05489	1.5
165.09140	1.3
167.08527	0.7
171.08064	0.7
173.13445	0.7
175.07561	0.8
175.11255	0.6
185.04286	0.8
187.07475	0.9
189.12883	0.7
195.10109	0.6
203.05373	1.3
213.12628	1.7
231.13596	5.0
235.02776	0.6
245.06299	1.7
259.13092	2.2
260.73740	0.6
289.05402	3.4
299.05682	0.7
311.16455	0.7
317.06735	0.9
375.17767	1.5
393.18900	10.4
394.19186	0.8
397.26862	0.7
435.19955	33.3
436.20535	0.8
479.18951	100.0
480.19534	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
55.62094	1.1
58.76587	1.1
66.87806	1.2
66.88740	1.2
69.03422	2.5
78.13097	1.0
79.05518	1.7
85.02904	3.3
91.05495	9.0
94.06544	2.4
96.08140	2.9
97.02895	1.7
105.06995	1.3
107.04942	1.4
108.08113	5.1
110.09681	3.8
116.04995	7.9
116.05682	1.6
117.05777	2.6
118.06536	2.5
120.08111	6.1
122.06019	3.7
123.10015	1.2
124.07586	4.4
127.03934	1.4
132.08080	1.6
136.07559	3.6
138.09140	4.5
144.08054	2.0
146.05986	3.5
148.07584	2.4
164.07079	25.4
166.08643	7.0
172.07530	1.8
208.11307	3.0
209.10669	2.3
210.11530	8.8
220.09921	1.7
224.13177	2.5
225.13879	13.9
235.12238	2.6
238.11006	4.2
241.62076	1.2
253.13367	25.9
254.14178	1.2
257.84274	1.2
271.14441	10.1
281.12781	14.8
299.13913	100.0
300.14233	1.6
317.06674	7.2
317.15002	3.1
325.10507	1.4
333.06049	2.3
446.15143	1.2
461.19449	1.4
463.30707	1.2
479.16428	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.3012
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	7.5
54.97790	5.1
55.05507	24.3
57.03421	14.6
67.05502	63.9
68.59491	5.4
69.03414	9.3
69.07066	27.0
70.83315	14.9
71.04987	6.5
74.58865	4.6
79.05497	61.4
81.03422	46.4
81.07057	100.0
83.04969	16.6
83.08626	22.2
85.02895	20.3
85.06529	6.6
91.05482	56.0
93.07045	69.7
95.04967	25.2
95.08607	24.2
97.06525	15.5
105.07012	37.4
107.04939	9.5
107.08601	34.4
109.06522	7.7
109.10172	11.1
117.07014	16.3
119.08606	28.1
119.57063	6.0
121.10168	30.8
121.10916	5.9
129.07008	9.7
131.08586	15.5
133.10139	19.6
135.08032	7.1
135.11662	10.3
145.10158	6.7
147.08102	6.2
147.11665	19.0
149.09650	6.8
149.13292	31.7
157.10149	16.0
159.11687	13.1
165.12823	6.6
175.11192	10.9
193.12212	42.4
195.13841	8.7
211.13280	43.1
443.27924	6.0
461.28604	11.7
479.30176	63.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.3009
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	10.6
55.01865	16.7
55.05303	3.9
55.05512	37.8
57.03440	37.9
57.07067	4.9
64.03587	4.7
65.03959	8.9
67.05510	100.0
69.03433	50.4
69.07066	34.2
71.01346	8.1
71.04993	11.1
71.51604	6.9
73.02906	8.9
79.05495	69.7
81.02982	6.5
81.03416	56.8
81.06597	4.9
81.07067	97.9
83.04967	15.4
83.08607	17.5
85.02916	31.4
85.06527	6.2
87.04466	4.3
91.05490	81.0
93.07051	75.9
95.04975	20.6
95.08613	69.1
97.02911	20.3
97.06523	11.6
97.10140	5.7
98.98380	4.5
99.04455	12.2
103.03925	4.0
105.04524	5.4
105.07039	66.5
107.04935	19.1
107.08607	50.3
109.02869	25.7
109.06494	13.0
109.10181	32.7
111.04430	13.3
111.08060	5.2
115.05421	6.1
117.07039	31.9
117.27513	3.7
119.08598	55.8
121.06510	13.3
121.10139	35.6
123.04433	5.8
123.08033	8.4
123.11712	8.9
125.09664	9.0
127.03925	30.5
128.06216	5.9
129.05457	10.2
129.06999	17.9
131.04904	5.8
131.08568	49.6
133.06459	9.1
133.10127	40.5
135.08044	8.4
135.11682	19.8
137.06010	5.9
137.09564	6.5
141.06970	10.4
142.07875	3.8
143.08543	24.9
145.06517	7.5
145.10143	37.4
147.08035	11.2
147.11717	28.8
149.09610	7.5
149.13249	15.2
151.07571	6.0
151.11125	4.8
155.08545	13.8
157.06532	6.6
157.10126	22.1
159.08069	9.2
159.11685	31.5
161.09650	9.3
161.13257	10.7
163.11182	5.5
165.12822	5.9
167.08597	5.7
169.10083	14.6
171.11688	15.0
173.13264	14.1
175.07590	4.8
175.11163	10.1
175.14871	6.3
179.10715	4.1
183.06538	9.8
183.11726	9.1
185.09622	5.7
185.13290	9.7
187.11211	7.6
187.14893	6.9
193.12267	10.3
195.11699	4.9
197.09735	4.8
197.13341	5.6
199.14742	6.5
209.13358	5.8
211.13187	6.9
213.16461	4.4
248.76921	4.2
259.20547	9.1
261.22061	12.4
264.51541	4.3
273.22171	8.7
275.23697	5.6
285.22360	6.5
289.21570	5.4
297.22354	4.2
301.21576	4.7
303.02075	4.1
317.06668	5.0
327.23264	9.4
335.25739	5.6
341.24609	8.6
345.24207	10.7
351.23029	12.0
359.25848	5.6
369.24179	23.8
387.25287	21.6
405.26273	5.8
419.27832	5.0
431.27841	4.4
443.27814	26.0
449.28729	7.1
461.29004	54.6
479.30096	77.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2935
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.9
55.01871	0.6
55.05517	11.8
55.29984	0.3
55.75216	0.3
57.03447	6.1
57.07082	1.9
61.03233	0.3
61.74980	0.3
62.06088	0.5
65.03929	1.0
67.05512	26.0
69.07076	15.1
71.05000	0.4
71.08617	0.8
79.05501	7.0
81.07066	26.5
82.07383	0.3
83.04975	0.7
83.08156	0.5
83.08631	7.6
85.06517	0.6
86.67608	0.3
90.60155	0.3
91.05489	4.8
93.06490	0.5
93.07056	6.7
95.08617	19.5
97.06542	1.7
97.10175	3.7
98.06043	0.5
98.21530	0.6
98.98469	0.6
105.07038	3.3
107.08613	3.2
109.06531	0.4
109.09464	0.5
109.10165	7.1
111.08097	0.8
111.11707	0.5
119.08608	2.9
121.10139	2.9
123.08061	0.5
123.11733	2.3
124.01579	0.5
125.09666	0.6
133.10138	2.9
135.11723	1.7
137.13254	0.9
147.11708	1.6
149.13300	0.7
151.11203	0.3
151.14828	0.4
161.13289	1.0
163.14790	0.5
175.14822	0.7
186.13965	0.3
189.16315	0.4
198.05254	0.4
216.06349	0.7
239.79271	0.3
245.22887	0.5
263.23688	0.9
306.27966	4.1
334.60413	0.3
337.27399	100.0
338.27780	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2931
Annotation	LysoPE(18:2w6/0:0)
Peak:m/z	Relative Intensity
55.05523	9.8
57.03428	7.2
62.06092	34.0
67.05190	2.0
67.05515	27.8
69.07072	15.6
70.57234	6.6
79.05500	8.3
81.07058	29.1
83.08632	5.9
84.14638	1.9
91.05477	7.1
93.07051	10.9
95.08608	19.8
97.10133	2.5
97.12093	2.0
98.06069	3.8
98.98464	10.7
105.06989	2.2
107.08602	4.2
109.10155	7.5
121.10159	3.0
123.11720	4.1
133.10201	2.3
142.02715	2.3
155.01006	4.4
163.14830	3.7
179.44608	1.9
192.11142	2.1
200.31438	2.0
234.42355	2.0
240.82498	2.0
250.63728	1.8
263.23718	6.2
287.63843	2.3
306.27905	19.5
324.78214	2.4
337.27374	100.0
338.27783	2.5
395.39700	2.3
460.28165	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	478.293
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85323	0.5
53.51487	0.5
55.01852	0.8
55.05513	4.8
57.07075	1.1
62.06081	2.0
67.05506	6.3
69.07066	4.6
70.30442	1.9
72.04521	0.8
78.98338	0.5
79.05491	1.6
80.35625	0.5
81.06667	0.6
81.07067	7.0
83.08609	1.8
84.37788	0.6
85.05288	1.8
88.35430	0.6
88.76694	0.6
88.95715	0.6
91.05470	1.1
93.07059	1.4
95.08612	4.0
97.10167	0.6
98.06054	10.0
98.98457	2.5
105.06994	0.8
107.08622	0.7
109.10162	2.1
109.72911	0.6
111.54801	0.5
112.07586	1.1
126.09163	0.7
149.02377	1.4
154.12257	0.6
167.26303	0.5
180.13808	0.7
193.04942	1.4
208.17087	0.8
222.18573	0.6
222.63364	0.6
230.09065	0.5
236.47147	0.6
306.27924	100.0
307.28220	3.2
312.32657	0.6
316.34952	0.7
324.28912	0.9
337.27347	4.0
379.93881	0.7
478.35440	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2654
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08893	1.0
53.03959	1.2
53.87468	1.0
55.01846	1.0
55.05515	11.6
57.03422	1.0
57.07077	4.8
67.05516	5.8
69.03451	4.6
69.07073	16.0
71.08637	1.2
79.05125	1.1
79.05505	10.5
81.03419	2.0
81.07067	16.8
83.08626	11.5
85.02901	11.5
87.00826	4.2
87.13544	0.8
91.05496	7.7
93.06493	1.4
93.07053	24.0
95.04960	1.1
95.08618	45.2
97.02894	3.9
97.10162	4.5
99.04465	1.1
101.26679	1.0
105.01884	11.1
105.03408	7.3
105.07021	8.0
107.08607	58.8
109.02863	1.5
109.06519	1.3
109.10162	14.0
111.08100	1.2
113.72968	1.0
119.08576	2.7
121.10158	100.0
123.11711	6.6
125.09604	1.8
127.03925	7.1
133.07597	1.6
133.10156	1.6
135.11699	23.5
137.13269	33.6
139.11206	4.4
145.04979	7.9
149.13295	6.3
153.01845	1.6
159.02884	1.1
175.14737	1.3
177.16403	94.3
178.16788	1.4
194.58002	1.0
195.17470	16.6
220.26625	1.1
229.40376	1.3
231.05013	3.0
234.58707	0.9
249.06084	3.2
270.21872	1.0
302.04303	2.0
317.06583	12.5
482.23874	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2655
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	5.3
55.01869	4.3
55.05510	7.0
57.03424	1.8
57.07072	2.7
61.02919	2.2
67.05504	5.2
68.99781	1.8
69.03438	19.5
69.06786	1.3
69.07081	13.5
69.16893	15.5
71.05015	3.4
73.02921	4.5
73.75396	1.6
79.05516	6.9
81.03440	14.8
81.07079	11.0
83.08639	8.5
85.02917	47.2
87.00843	22.4
91.05493	4.8
93.07059	21.0
95.04959	1.9
95.08620	36.2
97.02901	17.7
97.10152	4.6
99.04464	7.2
105.01878	27.0
105.07030	5.6
107.08609	46.7
109.02892	14.0
109.10176	10.7
117.01881	1.7
119.69403	1.3
121.10163	71.6
123.11701	4.2
127.03939	33.5
135.11708	14.5
137.13272	11.7
145.04982	15.5
147.02953	1.9
149.13231	5.1
159.02937	6.5
177.16411	100.0
187.89149	1.6
189.04010	1.8
195.17474	21.4
209.97765	1.3
229.39247	1.5
231.05055	8.7
249.06065	2.9
252.57401	1.4
256.74826	1.5
272.40930	1.4
480.29285	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.1562
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01607	0.3
51.02382	1.3
53.03953	3.0
55.01871	2.1
57.03434	1.5
59.04997	2.0
61.02928	0.4
67.05494	0.3
69.03425	2.3
69.84717	1.7
71.01358	3.1
71.05004	1.3
72.08155	0.3
73.02942	0.4
77.03933	1.4
79.05510	2.7
81.03409	0.5
81.07076	0.4
83.05006	0.4
85.02911	7.1
85.06531	0.3
87.00814	0.5
87.04466	0.9
91.05489	0.4
95.01349	0.6
95.04987	4.0
95.99252	0.3
97.02901	5.2
98.20761	0.6
99.04456	1.1
105.03402	100.0
105.04549	2.6
106.03738	1.3
111.04485	0.5
113.02375	6.7
115.03961	0.4
119.08590	4.4
123.00800	0.9
123.04448	5.6
127.03927	1.0
130.04976	0.4
141.01839	10.5
145.04965	8.5
155.03342	0.4
159.02884	1.1
177.05553	0.3
209.04483	0.5
231.13940	0.3
235.06044	4.2
237.07530	0.7
243.04848	0.4
253.03574	0.5
255.48161	0.3
263.05560	8.4
263.08398	0.6
264.05688	0.5
271.04517	1.4
280.07068	0.4
281.06595	22.6
282.06955	0.4
295.08167	0.4
299.07834	0.4
302.04285	0.4
317.06680	2.4
365.08551	1.0
375.07104	1.1
393.08145	4.4
407.10110	1.5
411.09152	0.7
425.10666	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.1928
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.7
55.01876	1.4
57.03428	1.0
69.03428	3.1
71.50766	0.4
73.02946	0.8
77.24060	0.4
79.05504	2.6
80.62521	0.4
81.03416	1.6
81.07084	0.6
85.02912	5.5
87.00826	2.0
91.03975	0.5
91.05495	2.2
93.03396	0.5
93.07048	0.7
95.04993	1.2
97.02921	3.5
98.97661	0.4
99.04455	1.4
103.05494	3.1
105.01881	1.7
105.03391	1.0
105.07046	3.4
106.94003	0.4
107.04971	28.2
107.08585	1.1
108.04508	0.9
109.02908	1.1
115.03921	1.0
115.05468	1.5
117.07028	1.1
118.41541	0.4
119.04961	0.7
119.08576	0.5
121.06458	0.5
127.03935	2.3
133.04945	1.0
135.08073	9.4
137.09723	0.4
145.04990	1.7
145.07617	0.8
147.04413	0.8
149.09650	0.6
152.10648	0.5
154.06281	2.9
159.02927	1.4
163.07574	13.5
165.05493	0.5
167.07056	14.6
180.07799	2.8
185.09619	0.5
195.10197	100.0
196.10587	1.2
203.07167	0.5
213.11246	1.0
218.91063	0.5
231.05016	0.6
244.09683	0.4
287.58362	0.4
306.49875	0.5
356.42532	0.5
419.67053	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.3942
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	21.1
57.07080	39.3
60.54024	2.3
67.05509	13.6
69.07072	40.8
71.08637	28.9
71.52040	2.8
76.06721	2.7
79.05482	7.5
81.07056	38.2
82.21975	2.4
83.08619	26.3
85.10173	16.4
91.05474	10.4
93.07054	14.9
95.04931	3.7
95.08606	32.2
97.06523	4.1
97.10184	18.8
99.04448	8.0
105.07031	11.7
107.08591	9.2
109.06497	15.7
109.10175	12.6
111.08078	4.6
111.11740	6.8
113.06002	3.8
117.06953	3.0
119.08585	8.5
121.06484	3.4
121.10128	8.3
123.08080	19.4
123.11720	5.8
125.05986	22.5
125.13272	5.5
127.07571	35.2
131.08572	3.4
133.10146	7.5
135.08051	4.5
135.11751	4.7
137.05994	15.9
137.09631	7.2
139.07552	100.0
145.10123	6.0
147.11691	8.1
149.05980	5.6
149.09692	5.1
151.07521	17.4
157.10095	4.0
159.11723	4.9
161.09665	3.9
161.13277	3.9
163.07535	5.0
163.11237	3.0
163.51022	3.6
165.09111	6.2
165.12636	2.6
167.07043	10.4
169.08633	2.9
173.13132	3.0
175.11188	5.1
175.14851	3.0
177.09100	11.4
179.10722	3.4
187.11186	3.3
190.66354	2.6
193.12216	2.8
207.13759	5.8
209.11691	2.4
231.13646	2.7
249.14908	4.6
263.19949	3.0
267.97388	3.2
291.23209	3.2
293.33853	2.8
301.28790	9.2
305.81393	2.7
319.29996	12.2
347.33105	7.1
385.34656	3.4
399.36243	5.8
403.35687	5.6
417.32956	2.2
417.37393	19.5
427.35721	9.7
445.36829	97.4
477.33624	3.5
477.39432	31.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.1559
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	0.5
53.03957	3.7
54.24402	0.6
55.01880	2.5
57.03428	2.4
59.05008	14.4
65.15046	0.5
69.03437	2.4
70.49857	1.2
71.01362	1.0
71.04997	2.0
73.02914	1.3
73.19994	0.5
77.03938	1.5
79.05500	2.3
79.48961	0.5
81.03432	1.0
85.02912	13.1
87.04468	2.2
95.01321	0.8
95.04982	4.1
97.02892	5.8
99.04475	1.5
105.03401	100.0
106.03731	1.1
113.02381	8.2
115.04002	0.6
123.04421	3.8
127.03912	1.7
129.05444	0.7
141.01842	8.8
144.06609	0.6
145.04973	54.0
146.05304	0.5
151.03889	0.6
192.80319	0.5
196.07001	0.6
209.04495	0.9
223.06024	0.7
235.05983	3.9
243.05038	0.6
263.05579	6.3
271.04559	2.0
273.38547	0.6
281.06577	13.6
299.94107	0.6
365.08524	0.8
375.07199	4.8
380.16666	0.6
393.08102	5.8
407.09781	3.9
411.09369	0.7
425.10733	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	477.3342
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05517	1.5
70.93879	0.8
81.07027	1.1
93.07040	1.2
95.08592	1.8
112.09917	0.9
121.10204	1.1
315.65613	0.8
429.27487	0.9
477.22281	3.3
477.33453	100.0
478.33707	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.3941
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	0.8
55.05511	12.8
57.07079	29.4
57.38645	0.8
60.61440	0.7
65.07838	0.7
67.05507	7.6
69.03407	0.7
69.07070	22.6
71.04993	1.1
71.08636	23.9
71.25943	1.6
73.85997	0.7
74.45079	0.8
79.05515	4.3
81.07055	19.3
83.04991	0.7
83.08628	13.8
85.06550	1.0
85.10191	13.1
91.05477	3.9
93.07050	7.7
95.04989	1.9
95.08611	15.6
95.09176	1.4
97.06558	2.3
97.10178	9.7
98.21443	0.7
99.04442	4.1
99.11732	1.7
105.07036	6.0
107.04983	1.6
107.08602	5.9
109.06520	10.9
109.10159	7.8
111.08092	2.3
111.11724	6.1
115.03922	1.2
119.08572	4.0
121.06518	2.4
121.10143	5.3
123.08075	11.0
123.11724	3.1
125.06008	14.9
125.09627	1.5
125.13300	1.3
126.83288	0.8
127.07559	39.2
131.08597	2.7
133.10162	3.3
135.08060	3.9
135.11697	2.7
137.06024	3.4
137.09656	2.4
137.13252	1.5
139.07544	100.0
140.07898	1.2
145.10158	2.8
147.08060	0.9
147.11707	3.1
149.05963	4.3
149.09654	2.1
149.13351	1.9
151.07545	8.4
151.11241	1.2
153.09079	1.5
159.11737	1.4
161.13353	1.5
163.07574	2.4
163.14804	1.0
165.09140	2.7
167.07022	5.9
169.04956	1.2
173.09622	0.8
173.13313	1.1
175.11246	2.1
177.09117	11.6
177.12746	1.4
179.10701	1.6
181.08620	0.8
187.11183	0.9
189.12781	2.1
191.10751	1.3
191.14413	1.2
193.12358	1.7
205.12286	1.1
207.13728	1.0
223.13266	0.8
229.15964	1.1
235.16931	0.9
247.16931	0.8
249.14944	1.7
263.20114	0.9
265.17978	0.8
267.67978	0.8
276.30063	0.7
301.29001	3.8
319.29962	10.5
345.31357	1.0
347.33081	15.6
373.30927	5.9
375.36450	1.0
385.34351	0.9
389.37546	1.4
399.36285	2.5
403.35678	1.6
417.37271	16.4
426.10623	0.9
427.35522	2.2
445.30627	1.5
445.36823	31.1
447.24371	0.8
455.09708	0.8
459.38437	1.7
477.34006	2.5
477.39450	44.5
478.39612	1.0
498.88809	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2851
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	12.2
55.01871	19.6
55.05275	5.1
55.05515	65.6
57.03424	10.2
65.03934	8.0
67.05183	4.5
67.05513	77.6
69.03424	13.5
69.07073	19.0
69.24221	26.2
74.18388	4.0
79.05504	70.7
79.90180	3.3
81.03428	49.2
81.07059	68.9
83.04956	13.5
83.08231	3.3
83.08634	34.9
85.02898	4.6
85.06535	5.2
91.05489	57.7
93.07058	46.4
95.04977	33.4
95.08596	36.8
97.06509	9.0
97.10179	48.4
102.50435	3.7
105.07040	43.9
105.09020	3.5
107.04970	39.6
107.08599	44.1
109.06519	15.7
109.10159	19.7
111.08089	10.8
117.07015	20.0
119.08595	28.5
121.06509	40.0
121.10137	14.6
123.08081	17.1
125.09639	41.7
128.06119	4.4
129.07018	21.9
131.04904	8.1
131.08592	25.2
133.06493	14.6
133.10146	15.2
135.08075	20.3
135.11697	7.7
137.09573	3.6
139.07591	3.6
141.06987	7.9
142.07903	3.7
143.08530	13.7
145.06514	21.4
145.10139	14.8
147.08037	10.9
147.11671	15.6
149.09720	7.3
149.13240	3.7
153.09105	9.3
153.12752	5.1
154.07899	3.5
155.08565	10.9
157.06448	6.0
157.10110	16.2
159.08083	4.9
159.11690	8.0
161.09685	7.9
163.11185	8.1
167.08554	4.2
169.10135	5.3
171.08167	3.9
171.11705	8.0
175.11218	13.1
177.12675	4.6
183.11641	4.4
185.13242	8.6
187.11195	8.4
189.11235	20.4
189.12682	4.6
193.12245	30.9
197.13176	5.1
199.11177	7.5
205.12305	3.7
205.15933	3.9
211.13261	4.4
215.14398	6.8
219.13887	3.9
223.13203	5.2
227.12657	21.6
231.13734	4.7
233.15289	17.9
235.13347	5.8
245.15530	3.9
255.13782	6.4
267.15982	16.4
273.14929	18.7
291.15878	4.9
320.01428	3.6
332.46762	3.6
339.23260	8.7
341.21112	3.9
349.21652	18.2
357.24161	11.9
367.22736	47.1
368.23251	4.3
373.95227	4.0
385.23752	85.7
403.24835	36.7
415.24640	5.8
433.25827	12.7
441.26758	4.8
459.27493	100.0
460.27734	5.5
477.28592	59.5
478.28778	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	477.2845
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	14.8
55.01862	22.9
55.05512	100.0
55.05764	15.8
57.33704	9.0
65.95943	9.5
67.05511	96.6
67.90109	9.8
69.07066	47.7
70.36835	9.5
79.05502	99.4
81.03406	19.2
81.07066	96.9
83.04967	15.6
83.08608	38.7
91.05479	81.4
93.07052	71.0
95.04963	35.9
95.08600	58.1
97.06529	9.1
97.10185	53.4
103.05462	18.7
105.07033	71.1
107.04981	19.1
107.08595	33.2
109.10165	15.0
117.07025	45.1
119.04987	10.6
119.08595	35.4
121.06522	15.4
121.10133	18.0
125.09667	54.5
125.48660	10.8
129.06993	31.7
131.04990	13.0
131.08582	46.5
133.06497	25.7
133.10165	14.3
135.08026	11.7
141.06912	10.9
143.08545	21.3
145.06494	22.0
145.10130	23.8
147.08090	13.4
147.11617	10.2
149.13286	12.9
157.10080	17.9
160.24265	9.7
163.11195	15.3
171.08040	17.2
171.11743	13.2
178.89360	10.7
189.11253	23.2
193.12234	13.2
197.13316	14.2
200.07686	10.6
215.14331	23.8
227.12801	27.4
246.15256	9.4
317.51962	10.4
339.23080	13.1
349.21332	18.8
367.22552	35.6
373.25284	11.6
385.23584	55.8
392.35333	10.4
403.24692	22.1
429.69342	11.5
441.26355	18.1
459.27283	64.6
477.28470	82.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2776
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36588	1.0
53.03946	1.7
53.62868	0.9
55.05528	9.8
57.03434	4.4
62.06097	40.0
62.44854	0.9
63.41051	0.8
65.03944	1.4
67.05512	32.5
69.07076	8.7
70.63694	2.0
70.64037	1.6
74.35544	1.0
74.71780	0.9
79.05501	21.5
81.07064	29.1
83.08633	3.3
85.05293	1.7
88.82548	1.0
91.05480	11.4
93.07053	23.4
95.05001	1.7
95.08614	24.0
95.09179	1.9
97.10204	1.9
98.06065	4.6
98.98466	9.2
105.07049	8.2
107.08606	9.7
109.10167	8.4
117.07034	2.0
119.08607	6.4
121.10143	7.2
123.11732	2.2
124.01574	1.2
125.09624	1.1
131.08592	2.9
132.84918	1.0
133.10149	5.4
135.11737	5.1
137.13168	1.1
142.02708	1.3
145.10155	3.0
147.11722	2.8
149.13318	1.6
155.01036	3.2
161.13271	2.6
173.02147	1.6
173.13297	1.6
174.25937	1.0
187.14787	1.1
198.05336	2.7
208.42278	1.0
216.06419	4.2
243.21222	2.3
261.22122	6.0
304.26370	40.1
304.29837	2.5
317.24850	1.9
335.25833	100.0
336.26340	1.2
366.28363	1.0
415.22540	1.5
458.26642	2.9
476.27643	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2498
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	3.0
57.07064	0.9
57.39508	0.7
59.05005	0.6
65.03944	0.8
67.05505	6.8
69.03430	0.9
69.07060	1.8
69.85881	2.7
79.05488	2.9
81.07048	4.1
83.04975	1.5
85.02921	1.2
85.06554	7.5
91.05476	1.7
93.07050	8.2
95.04971	1.8
95.08624	5.4
97.02883	0.8
99.08102	82.6
103.05455	1.2
105.07014	3.2
107.08597	5.9
109.06535	1.6
109.10165	14.0
111.08096	1.2
119.08600	4.1
121.10149	1.6
122.25243	0.6
123.08071	1.8
123.11696	2.5
131.04935	1.1
131.08560	0.7
133.10136	14.5
135.08025	0.6
135.11708	11.4
137.09612	4.4
145.10124	1.0
147.11726	1.0
151.07547	1.3
151.11203	2.4
162.06412	0.7
165.09157	1.2
166.09494	0.8
175.14886	4.3
177.09132	1.1
178.09454	1.1
189.05592	1.2
193.15900	100.0
194.16219	2.4
209.08018	0.7
242.62029	0.6
267.10092	1.1
476.22177	0.9
478.90689	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2774
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.2
55.01841	0.5
55.05514	8.0
57.03438	7.9
57.07066	0.6
59.17937	0.3
62.06080	0.9
65.03940	1.6
67.05505	30.4
69.07069	8.0
70.01033	1.4
71.04984	0.6
79.05495	16.2
79.21785	0.3
80.05807	0.3
81.07057	26.6
83.04978	0.4
83.08630	2.4
85.06547	0.5
91.04913	0.4
91.05482	7.7
93.07046	18.5
95.04970	1.1
95.08608	19.0
97.06519	1.1
97.10158	1.0
98.06053	0.8
98.98452	0.9
99.08106	0.4
102.40328	0.3
105.04530	0.6
105.07034	4.9
107.08595	7.4
109.06518	0.5
109.09478	0.5
109.10164	7.4
111.08083	0.6
117.07016	1.4
119.08584	2.8
119.82266	0.3
121.10138	5.8
123.11713	2.4
124.01611	0.8
131.08551	2.0
133.10152	2.2
135.11699	3.3
137.13251	0.8
145.10138	1.3
147.11674	1.1
149.13251	1.1
159.11687	0.6
161.13219	0.9
163.14886	0.5
173.13306	0.9
177.16299	0.3
190.04074	0.3
198.05254	0.5
216.06279	0.5
240.26833	0.4
261.22192	0.8
304.26376	6.1
335.25803	100.0
336.26236	2.5
458.87363	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.213
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.7
55.01855	4.1
55.05520	3.4
57.03440	40.8
59.05009	3.5
61.02924	12.1
67.05518	4.6
69.03432	84.4
69.07047	3.3
70.06592	2.6
71.01366	3.1
71.51283	4.0
73.02922	54.8
76.07613	2.7
79.05495	3.3
81.03417	4.9
81.07059	10.0
83.05080	2.8
85.02906	84.5
87.04473	44.2
91.05487	3.8
93.07046	5.5
94.07363	3.0
95.08621	5.2
97.02898	81.2
97.10177	5.4
103.05503	3.3
104.95735	2.6
105.07019	16.8
107.04904	2.6
107.08629	4.3
109.02902	8.7
109.10157	4.7
111.08031	2.5
115.03937	100.0
120.08987	3.3
124.05209	20.4
127.03912	16.0
127.93987	2.8
133.04979	80.1
133.06523	10.8
133.10141	5.5
135.08078	3.2
135.11682	3.8
137.05975	27.7
144.06590	7.4
145.05016	13.1
148.13324	5.1
150.07634	10.3
163.06012	5.0
164.32651	2.8
165.09138	64.1
167.07048	5.9
177.09196	3.8
189.09071	2.7
201.09174	3.6
213.01314	3.1
223.06003	3.1
241.07047	4.5
259.08051	3.0
287.05551	17.5
288.05884	29.9
316.69818	2.8
440.33710	3.3
458.34473	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	476.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.0
55.01876	9.3
55.05517	1.7
57.03441	18.5
59.05001	2.3
60.04509	1.9
61.02929	19.3
67.05515	2.1
69.03436	37.2
69.07066	1.4
69.74790	6.6
71.01360	5.3
71.05001	3.1
73.02924	100.0
74.06072	1.2
77.03960	1.1
79.05505	2.1
80.94053	1.2
81.03431	6.7
81.07068	3.0
83.04998	2.1
84.08202	1.4
85.02912	80.8
87.04477	5.3
91.03957	4.6
91.05484	3.3
93.07050	2.8
95.04983	1.7
95.08593	2.6
97.02904	58.3
98.06038	1.4
98.20856	2.3
99.04473	4.2
103.03940	3.0
105.07035	12.4
109.02901	9.4
109.06492	1.7
109.10174	2.2
115.03941	36.1
119.08608	3.9
121.10196	1.6
123.08092	1.6
124.05208	12.6
127.03930	28.8
127.53072	1.1
131.04933	2.0
132.06584	1.9
133.04980	37.0
133.06476	7.5
133.10136	4.0
135.11734	1.6
137.05978	14.2
140.62637	1.3
144.06589	3.4
145.04973	41.0
150.07660	3.7
151.03973	1.4
151.07634	1.4
153.90668	1.3
159.04353	1.1
162.07744	1.6
163.06036	11.3
163.07289	1.9
165.09125	38.0
169.52209	1.1
175.14876	4.7
177.09114	1.2
180.08611	2.7
187.07578	3.1
189.09123	2.5
193.05052	1.8
199.06015	2.1
201.09180	4.3
223.05956	6.0
241.07048	6.3
243.10220	1.8
259.08133	6.8
261.11279	4.5
277.09213	1.5
279.12143	1.6
284.88126	1.4
288.05923	2.9
327.36859	1.3
476.37888	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	476.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.1
57.03433	3.7
67.05499	9.6
69.03421	10.3
69.07058	4.7
70.06596	3.1
71.51093	3.0
73.02926	3.2
79.05483	5.7
81.03445	5.2
81.07054	14.6
82.07392	3.7
83.08652	3.2
85.02918	24.5
87.04474	3.1
91.05482	43.8
93.03400	3.1
93.07022	5.1
95.04966	3.4
95.08593	8.9
97.02892	8.2
99.00814	9.9
99.04473	3.3
103.05466	20.4
105.07043	5.1
107.04945	3.3
107.08566	4.9
109.10168	10.7
114.24810	2.9
117.07002	3.8
119.08578	9.6
127.03960	6.6
131.04936	8.6
131.08580	3.7
132.05202	4.0
135.11722	5.3
137.09601	12.2
145.04965	8.0
149.09636	6.0
151.07549	5.3
153.06898	4.6
165.07007	6.6
165.09109	56.7
166.08000	24.1
166.09346	24.6
178.07735	5.1
178.09322	3.5
179.08549	7.9
180.08820	4.8
181.10136	71.8
190.07787	6.5
191.08545	11.4
203.08601	7.1
204.09357	7.3
205.10173	44.8
205.12076	6.1
209.09772	3.2
215.08591	55.6
233.09622	100.0
243.08101	10.1
251.10692	4.0
261.09119	75.9
279.10123	25.4
284.30969	3.0
297.11237	8.7
476.26993	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	476.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.6
55.05497	4.1
57.03435	2.4
67.05490	3.1
69.03439	8.1
69.07068	2.0
70.06577	2.1
70.66833	4.3
71.04993	6.0
71.26164	1.5
72.08154	1.6
73.02931	2.2
79.05495	2.5
81.03408	5.3
81.07043	4.7
82.06608	1.3
83.04942	1.7
84.08125	1.4
85.02916	16.8
85.06548	1.8
86.09705	1.9
87.00813	2.1
91.05476	4.2
93.07036	5.2
95.04983	1.5
95.08593	3.7
97.02909	7.1
99.04464	10.4
103.05476	19.8
104.39404	1.3
105.07038	4.9
107.04970	2.4
107.08599	5.4
109.02895	2.3
109.10166	3.2
115.03947	1.6
119.08543	3.2
121.06489	1.8
121.10140	2.6
123.08067	2.3
123.11699	3.4
126.81920	1.5
127.03915	4.1
131.04942	100.0
133.06448	1.6
133.10133	3.9
145.04941	3.4
145.10141	2.9
148.13280	3.7
149.05995	43.5
157.10144	2.1
161.09474	1.3
162.72937	1.2
165.09189	3.2
167.07033	2.3
169.23067	1.3
173.13234	1.5
180.08577	1.7
181.05002	1.7
219.13800	1.6
227.16432	3.6
228.16751	4.2
234.20576	1.4
247.13332	2.4
287.05423	6.1
288.05893	9.4
297.11160	1.5
381.12463	1.4
397.05664	1.7
422.32547	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.192
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.3
55.05525	3.2
57.03426	2.2
61.02935	1.8
67.05497	4.4
69.03432	8.1
69.07079	3.3
70.06586	1.6
71.04987	1.4
71.08310	4.0
79.05499	3.5
81.03410	3.1
81.07069	3.9
83.05025	2.1
85.02917	15.2
87.33777	1.7
91.05487	47.4
93.07037	4.9
95.04980	2.9
95.08627	5.0
97.02885	4.4
99.00804	3.0
99.04432	2.4
103.05472	28.6
105.03368	2.5
105.07044	3.8
107.04962	3.4
107.08580	3.0
109.06502	2.3
109.10139	3.4
110.55353	1.4
117.07001	2.2
119.08585	3.5
121.10156	2.2
123.08075	2.6
123.11739	1.7
125.09646	1.9
127.03935	3.6
127.35906	1.7
129.07005	3.5
131.04935	100.0
132.05247	2.1
133.10098	3.0
135.08012	2.3
135.11700	2.3
137.09625	2.3
143.08669	1.7
145.05008	2.3
147.11740	3.8
149.06033	2.4
149.09546	2.0
153.06969	2.1
165.07054	7.2
165.09123	6.8
166.07787	15.7
166.09239	2.5
175.07454	1.7
179.08557	2.5
180.08711	2.5
181.08517	2.2
181.10126	43.5
190.07779	2.7
191.08600	6.6
193.15892	2.5
203.08598	4.0
204.09282	2.1
205.10161	21.4
215.08563	34.4
216.08891	1.5
219.08020	3.2
233.09633	47.1
237.09096	11.0
243.08145	5.5
261.09106	29.9
279.10184	23.2
287.05365	2.4
288.05658	2.0
296.26102	1.6
297.11267	5.0
477.24417	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	476.177
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.1
55.01875	6.4
57.03419	2.2
61.02930	1.7
68.99789	1.5
69.03444	8.6
71.31223	2.2
72.08173	1.4
73.02920	2.5
75.41399	1.1
79.05495	6.4
81.03432	8.7
85.02924	18.5
87.00831	6.5
89.03859	1.4
91.05490	2.7
95.74325	1.1
97.02910	7.9
98.06044	1.4
99.04452	4.6
103.05466	5.0
105.01871	5.3
105.07043	49.9
108.04471	4.2
109.02908	7.1
112.88969	1.3
115.05461	10.2
115.89636	1.1
118.04149	4.3
119.04980	1.2
121.02863	4.2
126.05539	1.9
127.03904	10.3
133.06511	49.2
143.06049	4.3
145.04988	7.2
147.02905	1.3
158.69034	1.1
159.02908	4.2
161.06001	100.0
183.95778	1.2
193.08633	89.5
211.09648	1.6
231.04997	1.5
248.07828	2.6
439.79285	1.4
476.18268	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3426
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21518	0.2
53.00296	0.2
55.01868	0.4
55.05516	2.0
57.07063	0.5
65.03928	0.4
67.05187	0.4
67.05513	5.7
69.03423	0.8
69.07070	2.5
71.04982	0.5
71.50919	0.3
71.51419	0.3
79.05506	2.2
81.03409	0.8
81.07066	5.9
83.04971	0.9
83.08614	0.9
84.04539	0.3
85.02892	0.9
85.06544	0.5
87.00846	0.5
87.30060	0.2
87.39760	0.2
90.20068	0.3
91.05479	2.6
93.07055	2.9
95.04978	1.2
95.08614	5.3
97.02888	0.4
97.06529	0.6
97.10178	1.5
99.08085	0.4
105.01882	0.4
105.07041	1.7
107.04935	0.7
107.08608	3.1
108.08925	0.3
109.02794	0.3
109.06528	6.4
109.10169	7.7
110.06853	2.7
110.10485	0.9
111.08086	0.7
111.11712	0.5
117.07019	0.7
119.08597	4.4
121.06506	0.6
121.10151	2.6
122.07301	1.9
123.08072	1.1
123.11713	2.9
124.08356	0.4
125.05988	0.3
125.09645	0.3
127.03921	0.4
129.07011	0.5
131.04970	0.5
131.08589	1.2
132.08957	0.6
133.10130	1.4
134.10449	0.3
135.08066	3.6
135.11714	1.4
136.08395	1.3
137.05980	0.5
137.09630	13.0
137.13246	0.7
139.07529	0.4
139.11227	0.6
143.08572	0.3
145.10115	1.0
147.08069	0.8
147.11674	0.8
147.19220	0.3
149.09624	5.3
149.13268	1.8
151.07539	1.0
151.11166	0.5
153.09137	0.9
157.10124	0.4
157.12180	0.5
159.11665	0.8
161.09583	0.4
161.13258	0.5
163.11238	0.7
163.14923	0.3
165.09125	100.0
166.09467	1.4
167.07069	0.3
168.22148	0.3
171.11780	0.4
173.13287	1.1
174.13670	0.8
175.07530	0.3
175.11195	1.6
176.65480	0.2
177.09128	1.0
177.12778	0.5
177.16557	0.2
179.10712	0.7
179.14322	0.4
183.11647	0.3
187.11195	0.7
187.14832	0.3
189.09119	0.7
189.12733	1.8
190.10089	0.3
191.10674	0.9
191.14305	2.9
192.14659	4.5
193.12340	0.3
201.12772	0.4
203.10732	0.7
203.14343	0.8
205.12270	4.7
207.13806	0.3
209.15334	2.9
210.15727	2.9
217.12184	0.3
223.17049	0.3
227.12717	0.3
245.15483	0.4
287.23648	0.3
301.21750	0.3
305.24747	2.6
411.32690	0.5
421.31189	0.5
429.33508	0.3
439.32358	2.2
457.27255	0.5
457.33334	2.5
475.26825	0.8
475.33911	0.6
479.07446	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1794
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05495	1.3
69.03431	0.9
70.06586	1.0
71.04991	1.0
71.51389	1.0
71.51805	0.7
72.08154	2.3
74.71974	0.9
79.05515	0.8
81.03412	1.3
81.07053	2.1
84.04518	0.8
84.08157	1.5
85.02915	1.8
86.09716	1.6
91.05492	1.5
93.07036	2.0
95.04969	1.0
95.08618	2.0
96.08147	1.6
97.02924	1.0
97.06588	0.9
105.07040	1.5
107.08590	1.6
109.10180	0.9
110.09695	3.6
111.08069	0.9
114.83540	0.7
119.08617	1.4
120.08113	1.4
121.10130	0.9
129.01929	0.7
129.06990	0.8
130.12328	0.7
133.10127	1.2
135.08038	1.0
137.05981	1.2
138.09142	2.8
140.75883	0.8
166.08669	6.5
181.08350	9.3
185.04262	0.8
229.06834	2.5
266.10284	2.6
276.74695	0.9
317.08453	54.0
318.08890	0.9
413.16907	1.4
453.67303	0.7
457.36389	2.2
475.17941	100.0
476.18237	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	475.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25871	1.9
50.63080	2.0
53.03945	4.6
55.01872	5.1
55.05502	7.8
57.03421	5.3
61.02921	2.9
67.05511	10.4
68.99802	2.6
69.03432	15.4
69.07050	5.0
70.06595	2.9
71.05003	31.2
71.43797	3.1
72.08143	5.7
73.02930	3.1
79.05486	5.3
80.19131	1.9
81.03430	14.2
81.07060	13.0
83.01361	2.4
83.04990	3.3
83.08614	4.9
84.08113	2.4
85.02913	33.0
85.06552	11.3
86.09699	4.3
86.85925	1.9
87.00858	9.5
91.05480	5.5
93.07033	8.4
95.04948	3.3
95.08614	10.6
97.02908	13.1
97.06523	3.8
99.04464	100.0
99.08084	8.8
101.06027	2.5
105.01862	6.3
105.07075	9.6
107.08601	25.4
109.02867	13.6
109.06514	8.0
109.10165	11.1
111.08083	4.9
112.44636	2.0
113.09623	2.3
113.67921	2.0
117.01876	2.7
119.08588	4.9
121.10165	16.4
123.08071	14.8
123.11738	11.7
125.09619	11.2
127.03946	21.9
127.11189	2.3
130.12241	4.2
131.08554	4.9
133.06458	2.8
133.10156	19.6
135.08055	2.3
135.11687	4.2
139.11151	4.1
141.09018	2.7
145.04938	6.8
145.10124	3.3
147.11682	5.5
149.09621	9.1
149.13228	10.4
151.11182	8.8
153.09085	3.1
155.10707	2.1
159.02939	6.7
163.14798	4.7
165.12729	2.5
167.10712	2.0
167.14342	2.5
169.12308	16.1
173.13254	8.0
183.13829	27.0
191.14377	15.7
197.91748	2.1
209.15398	61.8
209.17374	2.9
227.16447	96.3
231.04663	2.1
260.46182	2.0
331.61658	2.1
362.47052	2.1
386.29053	2.3
457.36044	4.8
458.34479	7.7
475.22437	2.5
475.32275	7.8
475.38324	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	475.1242
Annotation	Kaempferol 3-(4''-acetylrhamnoside)
Peak:m/z	Relative Intensity
53.03950	1.9
53.30097	1.2
55.01855	1.5
55.05510	6.3
61.02909	2.6
61.65938	1.3
64.17536	1.1
67.05495	4.3
69.03433	65.1
69.07061	2.9
69.40945	9.8
71.01363	1.9
71.05000	5.7
72.08156	1.4
79.05486	3.8
79.63795	1.3
81.03403	1.4
81.07072	8.1
83.04982	17.2
83.08614	1.4
85.02913	7.9
85.06521	1.3
87.04435	1.4
91.05495	6.7
93.07049	5.7
95.04939	1.6
95.08605	6.5
97.02876	1.3
97.06553	2.4
97.10165	1.7
99.04453	2.1
105.03375	1.5
105.07017	3.6
107.04901	1.9
107.08582	5.1
109.06548	2.5
109.10145	4.7
111.00851	1.6
111.04453	17.6
111.08040	1.8
117.06950	1.5
119.08588	4.0
121.02880	3.8
121.06477	2.3
121.10130	4.3
123.08041	2.3
123.11709	2.6
125.71609	1.1
129.05486	32.7
131.04922	2.5
131.08574	4.6
132.08891	1.1
133.10115	8.0
134.10432	2.0
135.08041	4.3
135.11679	3.6
137.02249	1.1
137.05974	1.7
137.09581	6.3
145.10065	1.4
147.11745	2.0
148.12114	1.3
149.09639	1.9
149.13205	1.7
151.07562	7.5
151.11206	1.2
153.01823	4.9
159.11723	1.6
161.09560	1.8
162.35283	1.2
163.11160	2.1
165.09123	22.8
166.09436	1.2
167.07019	1.5
173.09569	1.9
173.13275	2.9
174.13614	2.2
177.09099	3.6
179.10838	1.3
181.10031	2.2
189.07561	7.2
191.10701	11.6
191.14296	4.8
192.14693	2.8
205.12225	2.8
239.54755	1.3
241.04971	1.9
287.05511	100.0
288.05881	2.5
299.05463	2.6
329.06555	2.5
379.08401	1.4
397.09412	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	11.3
57.03434	9.1
61.62648	2.9
65.03955	3.1
67.01852	3.2
69.03419	7.3
70.06595	3.7
71.50563	2.6
71.50970	4.2
72.08160	5.9
73.02941	3.4
77.12259	2.6
79.05495	3.1
81.03426	11.0
84.08161	5.0
85.02917	33.2
86.09709	5.4
86.25997	2.8
87.71124	2.9
91.05500	5.1
93.03406	4.9
95.01312	5.0
97.02899	15.7
103.03933	5.1
105.07028	3.3
107.04945	4.6
107.08524	3.4
109.02895	10.5
111.93655	2.9
115.05412	3.0
115.35286	2.5
119.04960	5.6
121.02872	21.4
121.06538	3.7
123.04431	6.2
127.03957	4.0
129.07014	4.0
131.04965	6.0
132.96866	2.6
133.06511	2.7
135.04396	2.8
139.03922	6.5
141.45317	2.7
147.04431	7.8
147.07924	2.8
149.02281	3.3
149.06012	6.3
151.03918	11.8
155.08537	3.1
159.04449	9.2
161.05997	10.9
163.03899	14.7
169.06396	4.2
171.04465	5.7
173.05991	6.5
175.03918	22.7
175.07498	4.0
177.01982	2.8
177.05467	16.4
181.05011	22.3
185.06049	12.4
187.03947	14.5
189.05496	16.2
191.07007	5.4
193.04985	50.2
197.05934	6.9
199.03928	9.5
199.07561	5.2
201.01938	5.5
201.05484	22.5
203.03465	5.1
203.07060	7.6
205.04993	48.9
205.06741	4.4
209.06067	3.0
211.05960	7.2
213.05559	19.0
215.07100	4.4
217.04976	32.1
219.03023	14.8
219.06531	24.4
221.04529	16.3
223.06004	34.9
225.05528	9.7
227.07111	8.1
229.04950	18.7
231.06572	19.9
233.08200	3.4
235.06047	19.7
237.05443	4.8
239.07141	4.9
241.04942	13.2
243.06497	13.2
245.08284	8.6
247.06042	90.0
249.07706	4.6
251.06995	4.2
253.05052	15.3
255.06453	13.1
257.04593	4.1
257.08020	6.1
259.06046	100.0
261.07523	4.4
265.04977	3.9
267.06564	7.3
269.08011	5.3
271.06094	42.7
273.07584	15.5
275.05664	4.5
277.07129	31.8
279.06589	6.2
283.05997	24.4
285.04852	2.8
285.07544	13.9
287.05542	4.9
289.07114	91.7
295.05887	6.6
297.07584	13.2
299.09177	3.3
301.07071	61.1
307.08325	40.8
309.07562	7.0
311.09259	4.6
313.06894	56.8
313.16776	4.2
315.08740	3.3
319.08163	23.7
325.09802	82.1
331.08167	8.7
337.09674	21.1
339.08557	4.0
343.08093	44.5
355.08176	21.3
361.09219	32.6
367.08179	16.0
373.09225	40.4
379.10251	24.1
385.09476	18.0
391.10327	52.2
403.10284	30.5
409.11359	6.7
421.11356	31.6
439.12296	23.6
457.13406	10.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1239
Annotation	Kaempferol 3-(4''-acetylrhamnoside)
Peak:m/z	Relative Intensity
53.03948	0.9
55.01884	0.8
55.05514	3.1
57.03448	0.7
61.02925	1.3
65.03943	0.9
67.01852	0.5
67.05514	1.3
68.99815	1.5
69.03435	50.9
70.06596	0.6
70.31142	1.3
71.01360	1.3
71.04996	3.6
72.03051	0.3
72.08165	0.4
79.05499	0.9
81.03441	0.5
81.07069	1.5
83.04987	10.2
85.02911	4.4
85.06580	0.4
86.09707	0.7
87.04482	1.6
91.05499	1.4
93.07065	0.9
95.04977	1.2
95.08624	1.4
97.02911	0.5
97.06520	0.4
99.04474	1.2
99.08065	0.5
101.81487	0.3
103.05473	0.5
105.03415	1.2
105.07060	1.2
107.04945	2.4
107.08574	0.8
109.02908	0.7
109.06506	0.4
109.10202	1.3
111.00835	0.8
111.04445	10.5
119.04983	0.5
119.08599	0.9
121.02878	16.5
121.06537	0.4
121.10136	0.9
123.08082	0.5
123.11735	0.7
125.09692	0.4
129.05490	18.4
131.04956	1.1
131.08580	0.5
133.02898	1.1
133.10162	0.8
135.04471	0.7
135.08104	0.5
135.11748	0.5
137.02408	1.2
137.05997	0.7
137.09680	0.8
145.10144	0.6
147.04414	2.0
149.02249	0.4
149.09631	0.4
151.07613	0.7
153.01855	5.2
157.06499	1.0
157.10164	0.5
159.04474	0.4
159.08092	0.6
159.11734	0.6
161.05978	0.6
163.03876	0.4
165.01855	3.8
165.09052	2.0
167.07056	1.9
169.06508	0.7
171.04466	0.6
173.13275	0.5
177.09145	0.6
179.03416	0.4
183.02928	1.0
185.05998	0.7
187.07463	0.5
189.07562	5.1
191.14326	0.4
195.02933	1.0
197.06059	0.7
201.05547	0.9
203.03511	0.4
205.12242	0.5
213.05449	2.1
217.05197	0.5
227.07043	0.5
227.16420	0.6
229.05038	1.3
231.06595	1.2
241.05013	1.1
243.06570	0.9
245.04506	1.8
247.09721	0.5
254.05682	0.4
255.06499	0.4
257.04321	0.6
258.05222	2.0
259.06042	1.6
263.05518	0.7
269.04431	0.5
271.06076	1.0
272.06821	1.2
281.07813	0.4
283.06046	2.2
285.04050	1.1
286.04697	3.0
287.05515	100.0
288.05707	2.2
297.07684	0.6
299.05515	27.8
300.06213	7.3
309.07327	0.4
310.04648	0.5
311.05511	6.2
313.07114	0.4
315.29120	0.4
323.09167	0.6
325.07193	2.3
327.04907	1.2
327.08621	1.6
329.06577	27.4
330.06802	0.7
335.09186	1.3
337.07095	3.8
339.05112	1.1
341.06723	1.0
343.08060	1.2
351.08615	5.2
353.06528	3.3
355.08240	0.9
361.07108	0.9
369.09494	0.5
371.07242	0.5
379.08170	15.9
380.08496	0.6
383.14890	0.9
395.07632	0.8
397.09225	28.1
398.09677	1.1
404.14432	0.5
415.10211	0.5
439.10403	1.0
457.11411	6.0
457.17639	0.4
475.12396	10.7
475.18466	0.4
475.26498	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81070	1.0
53.03956	1.5
54.30048	0.9
55.01879	2.6
55.05512	1.7
57.07067	1.6
58.54041	0.9
59.05012	1.0
65.03951	1.1
67.05510	6.4
67.45563	1.1
69.03445	6.0
69.07087	2.1
71.04994	4.4
71.46284	1.8
73.02916	1.9
79.05508	4.0
81.03434	3.7
81.07045	5.3
83.04999	1.4
85.02916	15.2
85.06557	4.3
85.17784	1.0
87.00832	6.8
91.05511	6.1
93.07063	6.1
95.04997	4.9
95.08616	6.6
97.02911	5.4
97.06577	2.6
99.04485	2.5
105.01894	3.8
105.07043	13.8
107.08616	10.9
109.02910	4.9
109.06533	72.9
109.10175	21.8
116.31504	0.9
117.07040	2.9
119.08570	6.8
121.06490	1.6
121.10164	3.4
123.08087	10.8
127.03934	8.3
130.07828	1.0
131.04973	2.7
131.08582	21.5
133.10147	46.9
134.10547	1.3
135.08067	30.0
135.11687	1.2
137.09663	1.3
143.08604	3.1
145.05019	3.1
145.10156	4.0
147.11693	5.4
149.09639	2.9
149.13274	3.5
153.09140	3.2
158.10924	3.6
159.02956	2.8
165.09128	5.2
166.09514	2.1
173.13287	38.4
175.14877	1.2
191.14330	100.0
192.14714	1.7
209.15388	53.3
231.05038	1.7
240.81229	1.0
287.05545	4.4
301.95944	1.1
335.96057	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3631
Annotation	Jujubogenin
Peak:m/z	Relative Intensity
53.03918	3.9
55.01842	4.9
55.05517	28.7
58.04811	4.4
58.55033	3.9
58.82814	3.8
62.76797	3.9
67.05517	32.5
68.16496	3.7
69.07070	31.1
71.71319	3.9
75.09645	4.1
79.05510	23.2
81.07070	60.2
83.08623	27.9
84.08134	6.1
85.06563	8.4
91.05506	22.2
93.07059	52.6
95.04956	5.5
95.08613	90.8
97.06508	8.1
97.10154	9.1
99.08107	20.3
105.07053	39.1
107.08610	79.3
109.06504	13.2
109.10155	59.0
111.08078	12.0
117.06989	5.3
119.08579	55.3
121.06504	16.1
121.10141	100.0
123.08072	18.3
123.11736	28.5
125.09626	9.6
127.07545	8.1
128.75084	4.2
131.08559	16.4
132.09608	4.4
133.10144	48.8
135.08084	7.4
135.11707	35.5
137.09631	7.5
137.13268	10.8
139.11227	6.7
143.10558	3.7
145.10149	21.4
147.11694	35.3
149.09630	9.0
149.13275	42.6
151.11067	6.9
156.81366	4.6
157.10089	15.8
159.11710	21.0
161.13263	37.7
163.11185	8.8
163.14845	13.0
165.08984	4.8
165.12717	6.3
167.10677	7.3
171.11717	10.4
173.13246	35.1
175.11174	9.5
175.14844	29.4
177.12744	15.3
177.16295	4.8
179.14247	6.1
183.15002	6.8
185.13239	7.6
187.14806	26.9
189.12717	7.4
189.16367	26.6
191.14319	29.5
191.17931	6.7
193.15863	15.0
195.13797	7.2
199.14870	6.0
201.16417	8.3
203.17883	7.7
205.15886	12.8
205.19458	7.2
207.13895	4.8
207.17387	9.3
207.27747	3.8
209.15425	28.0
213.16385	11.2
215.18001	6.8
217.15930	6.6
229.19592	3.9
231.17470	21.0
237.18581	9.7
241.19492	10.2
245.19005	6.8
249.18433	27.0
255.21031	5.6
263.20178	6.0
267.19482	24.9
277.21503	5.0
387.16019	6.1
397.30902	8.0
401.17984	5.1
403.19754	4.9
409.35190	6.5
415.15118	6.4
415.32288	4.8
416.16019	5.6
417.21118	9.4
437.34363	33.3
445.20041	15.1
455.35379	53.2
473.19046	42.6
473.36789	55.5
474.20367	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	473.2349
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03966	2.7
55.01854	3.2
56.96320	1.9
56.96578	28.2
57.03432	8.1
61.02931	6.4
67.05500	2.8
69.03429	17.5
69.16216	7.7
69.16633	15.1
70.06601	5.2
71.01350	10.2
71.05004	2.5
72.08164	100.0
73.02919	6.5
79.05470	2.1
81.03423	6.0
83.62634	1.9
84.08160	2.8
84.96045	21.1
85.02911	35.4
85.06545	3.7
87.04466	5.8
89.10809	40.1
91.03952	3.1
91.05482	3.9
95.01357	3.3
97.02909	19.1
98.21571	4.7
98.97598	73.0
99.04474	5.9
100.99149	3.1
109.02876	3.8
110.97584	26.3
112.07615	2.4
112.99089	2.6
113.02400	6.0
116.98634	19.0
121.06507	2.4
123.04462	2.4
123.52134	2.1
124.99121	2.4
127.03085	2.2
127.03926	9.2
128.98625	22.3
131.00127	3.5
134.99649	6.7
137.05975	2.7
138.97046	2.3
140.98607	3.4
143.00159	6.9
143.01941	2.9
144.98083	4.4
145.04971	6.9
146.99673	7.3
147.04439	5.6
149.05984	2.7
152.98697	2.8
155.04666	5.0
156.03328	4.2
156.98148	5.8
157.03467	2.4
158.99661	23.8
161.01250	4.1
162.99200	3.9
167.07047	8.0
168.02042	2.2
168.03305	5.0
170.99710	7.7
174.04416	2.7
174.99193	9.0
177.00768	12.8
177.05487	3.6
179.02257	2.4
186.04446	13.8
186.99171	4.4
189.00743	5.4
194.99765	2.4
201.00723	3.5
204.05458	5.4
211.99937	6.3
213.00644	3.2
219.01791	29.9
223.99995	5.6
227.02399	5.2
228.05438	4.3
229.00307	3.1
233.06679	11.0
237.02818	26.8
239.02245	8.8
241.04105	2.5
245.03081	5.2
252.07587	8.1
252.57883	2.6
257.03311	22.1
259.58127	2.8
260.07321	25.0
260.57574	6.2
274.03409	2.3
274.57156	2.4
275.04233	5.0
281.03381	6.6
299.04382	9.2
308.02817	2.5
309.08527	6.1
311.04443	8.6
317.03323	2.7
326.03925	3.3
331.53354	2.6
341.11121	2.8
344.10376	2.5
345.01505	3.0
373.04666	3.2
383.06458	19.8
392.13437	5.0
401.07587	10.1
413.07541	5.2
465.12506	3.8
473.09732	6.4
473.16354	12.5
473.28369	3.1
473.66177	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	473.2751
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	8.7
55.01881	20.1
55.05515	76.9
56.96593	2.5
57.03439	7.1
57.07084	4.1
58.06586	2.9
61.02919	2.7
67.05508	43.9
69.03440	23.9
69.07077	31.8
69.34521	19.2
70.06605	5.4
71.04985	7.5
72.08154	8.5
72.73469	2.2
73.02929	3.1
73.06557	4.7
79.05508	21.6
81.03435	18.7
81.07064	80.0
83.04983	26.6
83.08618	6.7
84.08144	8.6
85.02908	21.8
85.06547	27.4
86.09732	4.8
86.53443	2.5
87.00813	4.0
91.05478	24.0
93.06486	3.7
93.07051	50.4
95.04989	18.5
95.08611	65.6
97.02884	6.2
97.06524	19.3
97.10175	100.0
98.21535	4.3
99.04450	6.4
99.08092	6.3
101.06010	9.5
102.09177	5.8
103.05464	11.7
104.05824	3.2
105.07050	30.9
107.04954	5.2
107.08611	52.7
109.02876	4.8
109.06538	17.4
109.10165	71.1
111.08092	71.2
113.06049	3.4
113.09650	3.8
117.07005	4.8
119.08593	27.3
121.06493	11.2
121.10156	33.4
123.08097	20.1
123.11697	21.3
125.06011	4.2
125.09649	31.5
127.03889	7.6
127.11215	4.4
128.06200	3.8
130.12286	8.2
131.04924	24.7
131.08583	10.1
132.05276	11.3
133.06551	2.9
133.10147	24.2
135.08090	12.5
135.11711	13.9
137.05975	8.4
137.09622	17.4
137.13316	4.1
137.36385	2.4
139.11195	21.4
141.09123	4.1
143.08574	9.2
143.10674	24.6
145.04942	5.2
145.10129	17.5
147.08020	6.8
147.11716	15.0
149.09627	8.6
149.13286	13.5
151.07552	18.9
151.11153	19.7
153.09134	3.8
153.12790	4.0
155.10651	7.3
156.09357	2.6
157.10152	7.9
159.11693	16.0
161.09686	3.3
161.13222	4.5
163.11200	12.8
163.14867	3.2
165.09122	35.9
165.12758	17.6
167.14328	55.2
169.10173	3.4
169.12195	3.0
171.10254	5.3
171.11707	5.8
173.09674	2.9
173.13303	5.8
173.47427	2.4
175.07526	2.9
175.11243	7.1
175.14803	4.6
177.09251	4.0
177.12794	5.7
179.10724	5.6
179.14316	5.2
181.12273	7.4
183.11629	2.9
185.13300	4.4
189.09114	4.2
189.11226	3.5
189.12764	3.8
191.10658	5.2
193.12303	5.7
197.11734	2.9
197.13358	3.1
199.14888	5.6
201.16417	5.0
203.14282	5.2
205.12216	7.5
207.13797	31.1
211.14851	3.0
212.16415	13.3
219.17506	6.1
221.15436	7.2
225.14795	15.9
226.18089	3.5
229.15985	3.2
239.16454	5.0
243.12265	22.9
266.42584	2.6
271.11780	4.3
273.22107	5.1
291.23196	7.6
301.21619	13.3
319.19196	3.6
319.22742	37.0
337.23874	6.7
348.24936	2.6
384.27429	12.1
437.25375	19.7
437.33899	5.7
455.26404	17.8
455.35297	4.5
456.33115	19.7
473.21658	11.8
473.35953	57.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	6.5
67.05522	29.5
69.03446	7.9
71.40012	6.3
71.40348	5.5
72.08156	14.2
79.05508	7.3
81.07056	6.0
83.04988	5.3
85.02914	13.7
85.06535	13.6
87.00819	5.6
91.05499	7.7
93.07029	14.4
93.13975	4.9
95.04992	5.0
95.08624	100.0
105.01876	16.9
105.07066	8.9
107.08599	12.0
109.06519	5.1
109.10174	5.7
113.06050	8.2
116.62840	5.9
118.87594	4.9
119.08609	14.8
121.10143	7.1
123.08077	38.9
123.11700	6.1
127.03941	11.8
131.08556	5.0
133.10153	6.1
135.11714	14.4
137.09639	7.3
142.70348	4.8
147.11687	5.8
149.09654	35.4
161.13257	16.2
163.11198	5.1
165.12747	5.0
189.12758	12.4
207.13849	71.6
473.23199	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	473.202
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94855	4.3
52.55815	4.4
55.05509	5.4
55.45833	4.8
57.07061	5.0
58.57480	4.1
59.46507	4.8
67.05508	27.0
69.03422	8.4
70.85567	12.9
72.08134	8.9
81.03398	4.5
81.07078	6.2
83.04940	5.0
85.02907	13.1
85.06538	11.6
86.09703	9.3
91.05480	6.5
93.07046	10.5
95.08614	100.0
97.02875	6.6
105.01907	6.1
105.07054	8.3
107.08564	6.4
109.02912	5.8
113.06002	12.4
119.08572	20.7
121.10114	9.8
123.08057	30.6
127.03932	7.4
135.11681	14.9
137.96422	5.4
147.11739	7.8
149.09645	43.6
161.13258	10.6
163.11115	6.1
165.12787	8.8
189.12779	15.6
193.50893	4.3
207.13779	65.2
303.26007	4.5
473.23331	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	473.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	6.1
55.01867	7.6
55.05510	15.2
57.03439	7.6
58.06585	5.4
67.05518	26.3
69.03431	20.2
69.07068	15.0
69.28716	34.3
70.06589	4.5
71.05007	6.9
72.08166	65.6
73.02882	5.4
73.06560	3.9
79.05502	21.3
79.90708	4.0
81.02997	4.8
81.03420	23.0
81.07062	28.3
82.28835	3.5
83.04992	7.6
83.08621	4.0
84.08162	20.8
84.66690	3.7
85.02924	28.9
85.06552	5.2
86.09700	20.4
87.00834	10.9
91.05503	18.8
93.07032	18.9
95.04967	14.8
95.08613	100.0
95.09181	7.7
97.02901	16.3
97.06570	8.8
98.21513	8.1
99.04465	7.1
99.08061	4.5
102.09187	15.4
103.05474	4.4
103.29826	3.8
105.01890	3.8
105.07037	30.6
105.46431	3.9
107.08613	23.6
109.02883	11.7
109.06554	8.4
109.10181	18.6
111.04448	3.7
111.08109	8.4
112.11258	4.2
117.06992	6.9
119.08586	54.4
120.08120	3.8
121.06501	7.7
121.10154	33.4
123.08080	21.0
123.11701	9.5
127.03937	18.6
129.07025	3.7
130.12276	28.5
131.08617	10.1
133.06505	12.2
133.10126	35.6
135.08044	7.4
135.11707	76.1
137.09610	14.8
137.10596	3.8
137.13261	8.2
141.06947	3.6
143.08563	4.7
145.04918	5.8
145.10161	8.2
147.08086	11.3
147.11699	40.2
147.14908	4.3
148.13414	4.9
149.09650	25.6
151.07556	17.7
156.09398	5.8
159.02922	8.7
159.11707	6.5
161.09662	4.8
161.13281	98.1
162.07671	5.0
163.11179	10.2
165.09184	8.7
165.12772	4.3
171.11652	7.1
174.10414	4.9
175.11099	3.8
179.14307	6.8
181.12225	4.0
189.12749	84.6
207.13808	72.1
212.16466	5.3
225.14842	17.7
242.17589	5.9
275.15942	6.2
298.20023	5.2
301.24878	5.7
330.24524	8.5
348.25409	6.8
360.18658	3.8
366.26453	11.4
402.29712	10.6
414.47360	4.3
419.32596	8.5
420.30954	8.9
437.33731	21.7
438.32071	21.9
444.99838	4.3
455.19897	6.4
455.34903	63.3
456.33240	17.2
473.24347	36.4
473.35886	68.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	3.9
55.05514	13.5
58.06592	5.5
67.05511	31.2
69.03417	11.5
69.07053	9.4
69.57499	26.4
72.08163	47.2
78.61333	4.1
79.05485	13.1
81.03423	5.3
81.07077	20.7
83.04980	8.2
83.08646	3.9
84.08144	16.6
85.02921	22.0
85.06538	15.2
86.09714	7.8
87.00858	6.2
87.91441	4.1
91.05494	8.8
93.07050	14.9
95.04955	9.0
95.08620	84.5
97.02901	9.4
99.17027	3.7
102.09167	5.6
105.01871	4.7
105.03362	5.5
105.07030	12.0
107.08587	13.1
109.02867	5.9
109.06523	8.2
109.10152	12.2
111.08092	5.6
113.06007	6.5
119.08581	17.6
121.06487	4.8
121.10141	11.4
123.08092	29.3
125.09608	4.9
126.05510	4.4
127.03927	13.1
130.12305	23.4
131.08568	10.6
133.05150	3.7
133.10136	5.3
135.08029	8.6
135.11679	10.5
137.05988	5.4
137.09561	5.2
145.04939	6.4
147.11687	6.8
149.09669	27.8
151.07574	6.4
161.13255	8.1
163.11194	11.7
165.12758	5.1
189.12787	13.5
207.13837	57.9
225.14828	7.7
227.23164	4.4
267.11304	5.5
311.10297	30.2
373.99066	5.2
419.32642	13.7
420.31152	5.9
437.33755	17.0
438.32193	7.7
455.34918	39.4
456.33139	15.3
473.23831	100.0
473.35907	29.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02398	0.9
53.03951	1.9
54.03472	0.6
54.07983	0.6
55.01876	2.2
55.05505	3.7
55.49876	0.7
57.03439	1.7
59.04995	3.5
61.02953	0.9
61.56415	0.7
62.78782	0.6
67.05501	2.8
69.03432	5.5
69.07064	2.2
70.06602	1.0
71.01344	1.4
71.04994	2.8
71.51811	0.9
73.02914	1.6
79.05500	3.9
81.03424	3.2
81.07050	2.8
83.04986	1.7
83.08568	0.8
85.02916	9.7
85.06544	0.9
85.10360	0.8
87.00835	3.2
87.04473	1.8
91.05495	9.4
93.07050	4.9
95.04980	4.0
95.08615	3.4
97.02899	6.0
97.06523	1.5
97.10180	1.3
99.04469	2.7
103.05478	39.9
105.01883	2.9
105.03430	3.8
105.07047	16.0
107.08604	11.8
109.02888	3.9
109.06530	4.4
109.10174	1.8
110.10488	0.8
111.04437	2.1
111.08089	1.7
113.02402	1.3
115.05495	1.8
116.06271	1.0
117.01888	1.7
117.07019	3.8
119.06113	0.8
119.08591	22.1
121.06536	1.1
121.10164	11.3
123.08103	4.3
123.11677	1.5
125.06052	0.9
125.09648	0.9
127.03944	3.9
128.06258	3.6
129.07022	8.6
130.07819	1.0
131.04939	100.0
131.08574	12.3
132.05286	2.2
133.06503	1.2
133.10150	6.1
135.08072	21.0
135.11681	4.9
137.09613	3.0
137.13287	1.0
141.07022	4.6
142.07773	1.5
143.08563	9.1
145.04976	3.2
145.06500	2.0
145.10129	7.7
146.10724	0.8
147.04424	1.2
147.08060	14.3
147.11696	16.4
149.09636	7.7
150.10052	0.9
153.07056	1.0
155.04921	1.8
156.09363	17.8
157.06508	1.1
159.02893	2.1
159.08061	4.3
159.11696	2.1
161.09651	2.4
161.13306	6.5
163.11227	2.1
164.10715	1.0
165.09109	6.9
165.12723	1.5
166.09492	2.5
169.06505	4.4
171.11711	35.5
173.05991	3.3
173.09622	0.8
174.10439	2.0
177.09187	0.8
179.12262	0.7
179.14342	1.0
185.06012	1.0
187.07587	6.7
189.12762	27.3
197.06047	2.4
203.10707	0.8
205.12410	0.8
206.15419	1.6
207.13820	85.0
208.14154	1.8
211.90097	0.7
219.06456	2.4
224.16470	4.3
225.05470	1.6
229.23485	0.8
247.09766	1.0
311.05579	1.1
387.00085	0.8
472.21561	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.1
53.26976	1.8
55.01874	4.4
55.05513	5.4
56.99952	1.8
57.03424	3.3
58.06610	3.4
67.05501	11.1
69.03439	21.7
69.07075	6.3
69.28060	1.9
69.36813	15.1
70.06566	3.0
71.04994	4.3
72.08167	20.1
76.07638	2.8
79.05500	10.1
81.03419	9.7
81.07092	13.2
83.05000	5.7
84.08160	10.3
84.66277	2.0
85.02917	14.6
86.09706	12.9
87.00833	4.6
91.05468	9.4
93.07059	10.0
95.04977	8.7
95.08627	8.7
97.02891	6.4
97.06523	3.2
99.04467	3.8
101.06027	2.6
102.09190	4.0
103.05482	6.7
105.01904	3.5
105.07063	12.5
107.08622	11.4
109.02887	5.0
109.06523	6.6
109.10166	5.5
110.95360	1.9
111.04472	2.0
111.08075	4.3
112.11209	1.9
119.04971	1.9
119.08590	12.0
121.06554	3.2
121.10161	11.7
123.04447	6.0
123.08102	5.1
125.06046	2.3
125.09626	2.7
127.03951	9.2
130.12285	8.7
131.04951	17.1
131.08530	3.2
132.05276	13.1
133.06546	2.4
133.10139	9.6
135.11746	3.1
137.06035	2.8
137.09636	9.0
139.11203	4.7
139.52554	2.0
145.04994	3.0
145.10146	6.8
147.11662	11.6
149.09642	4.4
151.11151	3.0
159.11711	3.2
161.13275	6.4
163.11166	6.4
165.09129	4.7
165.12758	3.9
177.12572	2.4
181.12254	2.5
189.12827	11.8
192.09271	2.6
193.10205	3.9
195.11989	2.2
205.10091	6.1
206.11005	3.2
207.11766	5.7
207.13806	56.4
213.16008	3.3
217.10172	6.9
218.10808	2.6
219.11790	8.6
220.12453	2.8
221.13342	1.9
225.14891	32.7
232.12524	8.7
232.23416	2.1
233.13258	9.3
243.13489	3.4
247.14819	9.1
247.60387	2.1
262.17947	4.6
265.12238	6.3
278.12973	2.2
293.15369	100.0
294.15826	2.9
298.20221	5.3
330.24310	3.1
348.25192	2.4
366.26343	7.7
370.25757	5.4
413.17123	3.3
419.32861	3.8
437.34009	4.6
438.32214	14.6
455.34875	34.9
456.33096	6.6
473.09360	3.3
473.22919	8.0
473.35931	32.9
481.97061	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.146
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.1
55.01872	1.9
55.05505	2.2
58.03331	0.7
59.04999	1.1
63.56058	0.8
67.05501	2.1
69.03431	3.3
69.07053	1.1
70.04082	1.3
71.01351	0.9
71.04991	1.5
71.45943	1.0
79.05496	2.3
81.03432	2.0
81.07057	2.7
83.04981	1.3
83.18999	0.7
83.44592	0.7
85.02929	5.3
85.06535	1.3
86.09679	0.8
87.00842	1.1
91.05494	4.5
93.07072	1.5
95.04974	2.2
95.08612	2.2
97.02911	1.8
99.04455	2.1
103.05485	38.2
105.01871	1.4
105.03400	2.7
105.07051	7.8
107.08603	5.2
109.02898	2.1
109.06551	2.1
109.10169	1.5
111.04419	1.6
113.02357	1.3
116.21049	0.8
117.01849	1.0
117.07013	2.6
119.08607	9.3
121.10161	3.9
123.08081	1.6
125.09650	1.3
127.03918	2.9
128.06245	2.0
129.07014	4.9
131.04948	100.0
131.08595	5.7
132.05283	0.8
133.10129	2.8
135.08084	11.2
135.11667	1.2
137.06010	0.8
137.09657	1.4
141.07036	4.4
143.08583	4.5
144.05711	1.0
145.05005	2.0
145.06485	1.1
145.10165	3.8
147.08080	5.8
147.11732	8.0
149.09641	2.6
151.11139	0.8
155.04858	1.0
155.06137	1.1
156.09348	7.2
157.06575	1.1
159.02931	1.3
159.08086	3.3
159.11708	1.8
161.09595	1.9
161.13310	3.1
163.11261	1.5
165.09166	5.9
165.12820	1.0
166.09529	2.3
169.06505	5.1
171.08195	0.9
171.11731	15.3
173.05989	4.0
173.13216	1.0
177.12666	0.9
185.06035	1.9
187.07567	6.0
189.12769	12.0
191.06984	0.8
191.14452	0.7
191.68634	0.7
197.06047	2.2
207.13832	38.7
219.06580	3.0
224.16577	1.5
225.05498	0.8
243.06570	1.1
257.08209	1.0
300.97916	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	0.3
53.03937	0.9
57.03438	0.4
67.05476	0.4
69.03425	0.8
69.07075	0.4
71.01352	0.3
71.51705	0.4
77.03946	0.9
77.91775	0.3
85.02914	1.7
91.05475	0.4
95.04975	1.1
97.02834	0.3
99.04506	0.4
102.04704	0.6
103.05479	34.5
103.72753	0.3
105.04501	0.7
105.07055	0.4
109.02902	0.3
109.10166	0.5
113.02358	0.7
115.05466	0.3
117.01852	0.7
117.07034	0.3
117.61291	0.3
121.10058	0.3
127.03974	0.7
129.07004	0.7
131.04942	100.0
132.05251	1.4
141.07021	1.0
143.08548	0.4
145.04976	0.6
153.07042	0.4
155.04875	0.5
159.04436	0.5
159.08034	0.5
165.09169	1.4
166.09421	0.3
169.06555	1.4
173.04526	0.4
173.06006	0.8
187.07578	1.3
191.07086	0.6
197.06027	0.6
219.06544	1.3
225.05705	0.4
227.06876	0.3
231.83098	0.3
237.07689	0.6
472.21075	0.4
472.26889	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3476
Annotation	18alpha-GLYCYRRHETINIC ACID
Peak:m/z	Relative Intensity
50.44257	8.2
50.46756	6.6
50.65715	6.9
55.05502	23.8
57.07073	7.8
58.61484	7.8
67.05495	31.8
67.28456	6.7
69.07059	24.8
70.01235	31.9
71.04942	7.1
71.75996	7.9
79.05477	27.0
81.07055	69.6
81.43508	8.4
83.04984	11.9
83.08619	18.9
91.05468	32.7
93.07039	62.2
95.08614	85.8
105.07022	51.0
107.08600	100.0
109.10160	54.0
117.07011	18.1
119.08584	96.5
121.10154	62.2
123.11707	26.9
125.09636	10.8
131.08545	29.7
133.10129	61.1
135.08035	13.6
135.11679	27.1
137.09648	12.2
139.07535	9.2
139.11147	9.9
143.08559	17.7
145.10097	65.4
147.11697	41.6
149.09599	13.6
149.13237	27.5
157.10124	26.8
159.11703	57.9
161.09576	8.8
161.13286	27.3
163.07419	9.6
163.11177	18.1
163.14841	18.2
169.10020	8.8
171.11664	22.6
173.13339	39.2
175.14847	26.3
177.12717	11.8
177.16426	12.4
185.13223	17.3
187.14853	55.8
189.16325	25.8
191.14264	9.1
199.14772	18.9
201.16374	37.9
203.17958	13.6
205.15869	18.4
207.17444	15.8
227.17834	10.0
229.15919	10.6
233.15324	28.0
247.16870	17.7
389.32062	10.1
407.33075	59.7
425.34296	11.2
435.32809	15.2
453.34036	62.8
471.08893	15.7
471.35251	83.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.348
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	2.7
57.07087	1.2
60.89467	0.6
67.05494	3.1
69.03425	1.4
69.07072	5.4
69.20868	7.2
79.05507	2.5
81.03402	0.6
81.07076	6.2
83.04976	0.9
83.08633	5.9
84.35968	0.8
85.06541	1.0
85.10173	1.1
91.05486	1.7
93.07067	4.8
95.04966	0.7
95.08619	8.0
97.10182	1.2
105.07034	4.2
107.05027	0.7
107.08618	8.5
109.06518	1.4
109.10174	4.8
111.08096	0.8
119.08602	8.8
121.10138	4.7
123.08110	3.1
123.11727	2.8
131.08565	1.0
133.10129	5.9
134.98224	4.1
135.08084	2.0
135.11729	5.6
137.09628	2.0
137.13229	0.9
139.11235	0.9
143.08607	1.6
145.06406	0.7
145.10158	3.1
147.11707	5.6
149.09668	1.1
149.13277	2.0
151.07556	8.7
151.11125	0.7
153.09106	0.9
157.10121	1.2
159.11714	1.3
161.09641	1.5
161.13277	1.7
163.14919	0.7
165.09001	1.6
166.09908	2.6
171.11737	1.3
173.13326	2.1
175.11292	0.9
175.14871	1.9
177.12737	0.7
187.14784	1.9
189.12816	1.0
189.16420	10.6
191.14369	0.8
201.16382	1.0
203.14432	2.0
207.17453	7.5
221.15405	5.4
337.27463	1.9
345.28012	2.6
347.25729	2.0
359.25909	2.4
365.64722	0.7
373.27444	2.1
374.28256	1.6
375.28970	0.9
387.28741	0.7
435.33295	1.2
443.35300	100.0
444.35574	3.9
453.33859	3.7
471.24936	1.4
471.35086	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	471.3472
Annotation	Kunzeanone C
Peak:m/z	Relative Intensity
50.34329	0.7
53.03933	1.0
55.05512	4.1
57.03444	0.8
57.07058	1.6
64.64197	0.8
67.05501	8.4
67.07143	0.8
69.03431	1.1
69.07064	7.0
70.57590	2.4
70.57943	1.3
71.04992	1.9
71.08627	0.8
72.11436	0.8
79.05499	7.7
81.07060	21.5
83.05000	1.1
83.08607	4.7
85.06532	1.0
91.05475	3.8
93.07050	13.1
95.04971	3.4
95.08609	19.8
97.06530	3.7
97.10191	2.4
99.04462	1.9
99.08082	2.5
101.60854	1.0
105.07034	9.0
107.04963	0.9
107.08588	19.0
109.06526	3.7
109.10164	16.8
111.08108	1.4
117.07028	2.3
119.08585	13.4
121.06525	3.0
121.10146	16.9
123.08099	1.8
123.11720	10.3
123.35040	0.9
125.06010	5.2
129.07057	1.7
131.08597	5.3
133.10147	10.9
135.08041	6.3
135.10757	1.2
135.11673	6.9
137.09679	1.8
137.13226	2.0
139.07507	4.4
143.08560	3.8
144.09409	1.1
145.06479	1.2
145.10123	13.2
147.08044	2.3
147.11694	7.4
149.09636	3.0
149.13257	2.3
151.11205	1.7
153.09132	5.2
155.08585	1.9
157.10126	5.4
159.08090	1.8
159.11688	8.3
161.09625	3.3
161.13297	4.1
163.11195	2.7
163.14859	2.5
164.44833	1.0
165.09116	1.2
167.10707	3.2
169.10152	3.4
170.11095	1.1
171.11678	5.4
172.12415	1.2
173.07133	0.9
173.09656	5.8
173.13187	5.3
175.11171	7.2
175.14819	2.3
177.09163	2.9
177.12730	2.6
177.16353	1.8
179.10699	0.8
181.12312	2.6
182.10965	1.2
183.11714	1.1
185.13258	3.8
187.11163	9.8
187.14798	7.5
189.12767	1.5
189.16435	3.7
191.10713	2.9
191.14267	1.4
191.18054	1.1
195.11755	0.9
195.13799	1.1
196.12421	1.2
197.13217	4.3
199.14830	3.6
201.12750	1.5
201.16400	2.5
205.15805	4.6
207.17485	2.3
209.13307	1.2
211.14850	3.3
213.12730	2.1
214.13591	1.0
215.14339	10.9
217.15804	5.3
219.17535	1.7
223.14874	1.6
223.16982	6.7
225.16505	1.8
227.14311	1.5
229.15880	100.0
230.16302	3.0
231.17448	6.8
233.15379	17.8
237.18613	2.3
243.17480	3.4
247.16942	18.4
255.17441	1.5
257.19116	6.0
269.19131	1.3
270.19016	1.2
281.18997	1.0
283.20587	7.5
285.22174	1.1
292.93481	0.9
297.22192	3.0
315.23145	1.5
351.63074	0.9
397.31183	1.8
417.31671	1.1
435.32581	12.2
453.33649	66.5
454.34171	3.6
471.34726	96.9
472.35080	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	471.2212
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.5
55.05501	2.2
57.03428	0.7
57.07066	0.8
60.41009	0.6
63.97654	0.5
67.05508	3.0
69.03444	3.4
69.07062	2.6
70.06598	1.1
71.01347	0.5
71.04992	1.0
71.52050	0.8
72.08142	0.6
77.55309	0.5
79.05488	2.1
81.03407	0.7
81.07060	5.5
83.04977	1.7
83.08627	0.5
85.02903	2.0
85.06549	1.2
87.00836	0.6
91.05486	1.6
93.07072	3.5
95.04980	1.6
95.08623	4.6
95.83655	0.5
97.02895	1.6
97.06514	0.7
97.10167	1.7
99.04424	0.8
99.08116	0.7
103.04816	0.5
103.05465	1.7
105.03381	0.7
105.07046	4.3
107.04982	0.7
107.08609	3.8
109.06512	2.2
109.10165	3.9
111.08083	1.2
115.58855	0.6
117.07022	0.9
119.04954	0.5
119.08598	3.1
121.06532	1.4
121.10178	3.4
123.08054	1.4
123.11694	1.4
125.05984	0.6
125.09631	1.4
127.03934	2.1
131.04938	3.5
131.08571	1.8
133.10139	1.9
135.08098	2.1
135.11702	1.6
137.05974	1.3
137.09590	3.0
139.07535	0.5
139.11237	0.7
141.09045	0.6
141.40475	0.5
143.08586	0.9
143.10754	0.6
145.04953	0.8
145.10126	1.8
147.04399	0.7
147.08109	0.5
147.11665	2.4
149.05951	0.5
149.09637	2.2
149.13321	0.6
151.07553	1.7
151.11205	0.9
157.10141	1.2
159.11708	1.7
161.09592	1.1
161.13261	1.2
163.07635	0.6
163.11212	2.0
163.14842	0.9
165.09135	15.1
165.12779	0.7
171.11684	1.0
173.09648	1.0
175.14748	0.8
177.09122	0.7
177.12840	1.1
183.11710	0.6
185.13303	0.7
187.11267	0.8
187.14905	0.9
189.09146	0.6
189.12776	0.7
189.16400	0.6
191.10730	1.1
197.13342	0.6
199.14783	0.6
201.12621	0.5
203.10670	1.3
203.14423	0.6
205.12256	5.8
213.16423	0.6
223.16985	3.4
229.12418	0.6
251.20004	0.5
255.13882	0.7
309.16812	1.4
337.19992	0.6
471.22034	100.0
472.22192	3.1
485.65048	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2209
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.6
55.01868	0.5
55.05517	2.1
57.03410	0.7
67.05506	2.5
69.03428	2.4
69.07066	1.9
71.04998	0.7
71.51518	0.5
72.38943	0.4
79.05495	1.8
81.03443	0.5
81.07063	4.8
83.04986	1.3
83.08613	0.7
85.02918	1.4
85.06554	1.4
87.04485	0.5
91.05499	3.0
93.07047	4.1
95.04984	1.8
95.08044	0.6
95.08604	4.7
96.96480	0.4
97.02901	1.7
97.06487	0.8
97.10175	1.7
99.00900	0.4
103.05472	1.5
105.03387	0.6
105.07031	3.4
107.05008	0.7
107.08572	3.7
107.40396	0.4
109.06528	1.2
109.10167	4.0
111.04441	0.8
111.08054	1.1
117.07035	0.7
119.08603	2.8
121.06516	1.2
121.10157	2.7
121.87650	0.4
123.08089	1.1
123.11703	0.9
125.06004	0.7
125.09616	0.9
127.03956	0.7
129.07014	0.9
131.04968	2.9
131.08578	1.3
133.10161	2.5
135.08063	2.1
135.11711	1.5
137.05966	0.5
137.09619	3.8
139.07570	0.8
141.09117	0.6
143.08606	1.0
145.10132	1.8
147.08032	0.7
147.11694	1.5
149.06035	0.7
149.09654	2.6
151.07600	1.4
151.11212	1.1
153.09120	0.5
155.08617	0.7
157.10127	0.7
159.08098	0.5
159.11703	2.1
161.09601	1.2
161.13309	1.1
163.11211	0.7
165.09128	16.3
165.12808	0.5
169.10196	0.7
171.11755	0.8
173.13295	1.2
175.07582	0.4
175.11217	0.8
175.14813	0.6
177.09106	0.9
177.12811	0.8
179.10648	0.6
183.11697	0.8
187.14876	0.8
189.09067	1.4
189.12721	0.5
189.16536	0.5
191.10669	1.4
201.12817	0.8
203.05336	0.6
203.10695	1.5
203.14412	0.5
203.18007	0.5
205.12244	5.8
205.14049	0.8
215.14352	0.5
219.13893	0.5
221.09767	0.6
223.17003	3.0
231.13887	0.6
259.07901	0.8
287.05368	0.4
309.16760	3.1
333.08020	0.6
335.09454	0.9
390.68564	0.5
453.29999	1.3
471.22034	100.0
472.22311	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2212
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.1
55.01868	0.9
55.05511	4.5
67.05521	6.2
69.03435	4.2
69.07079	4.8
70.77930	1.0
71.05003	1.8
73.65879	0.8
76.42344	0.9
78.66881	0.8
79.05485	3.3
81.03432	1.4
81.07072	9.2
83.04984	3.4
83.08636	0.8
84.08127	1.3
85.02903	3.2
85.06545	1.9
91.05473	5.7
93.07067	6.3
94.13045	0.9
95.04969	1.8
95.08604	9.4
95.45459	0.9
97.02887	3.4
97.06542	2.6
97.10179	2.5
99.04469	0.9
103.05485	3.2
105.07038	7.1
107.04941	2.0
107.08587	7.3
109.02886	1.9
109.06509	2.5
109.10164	7.9
111.08111	2.2
117.07007	1.3
119.08604	5.3
121.06525	2.4
121.10186	4.4
123.08077	2.5
123.11711	3.0
125.09631	2.1
127.03939	1.7
129.07040	1.6
131.04948	6.3
131.08583	4.0
132.63091	0.9
133.10141	7.3
135.08052	3.2
135.11728	3.1
137.05988	1.6
137.09613	8.4
139.11194	1.0
143.08527	1.2
144.09305	0.9
145.10150	4.6
147.04373	1.4
147.08006	1.8
147.11705	2.8
149.09622	6.4
149.13188	1.2
151.07556	3.3
151.11221	1.6
153.09128	1.0
155.08589	1.6
157.10167	3.1
159.08119	1.1
159.11691	4.3
161.09622	2.2
161.13297	2.0
163.07544	1.1
163.11221	1.7
163.14891	1.1
164.27548	0.9
165.09125	36.9
165.12715	1.1
170.87134	0.9
171.11694	1.2
173.09607	1.4
173.13289	3.2
175.11211	2.8
175.14842	1.3
177.09135	1.8
177.12827	1.4
179.10692	2.0
182.15442	0.9
183.11732	1.2
184.12219	1.0
185.09709	1.3
185.13231	1.6
187.11151	1.1
189.09140	3.2
189.12744	2.5
191.10703	2.4
191.14334	1.6
199.11288	1.0
199.14891	1.7
201.12700	1.4
203.10675	2.7
205.10378	1.8
205.12234	13.1
205.15918	1.4
211.14874	1.0
215.10643	1.3
217.12373	1.1
221.09717	1.2
223.16975	1.2
229.12244	1.9
231.13809	1.5
265.83707	1.0
309.16776	4.0
309.20126	1.0
317.21164	1.3
319.22794	1.0
435.28986	1.1
453.30081	2.2
471.22028	100.0
472.22281	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	471.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01589	0.6
51.02378	1.6
53.03954	7.8
55.01870	0.7
55.05512	1.1
57.03430	1.1
67.05511	2.1
69.07069	1.2
70.64146	1.0
77.03922	2.0
79.05491	1.9
81.03417	1.4
81.07063	2.5
83.04988	3.6
83.08640	0.5
85.06557	0.5
88.19323	0.4
91.05486	3.1
93.07053	3.0
95.04984	6.7
95.08606	2.2
98.98473	1.6
101.17506	0.4
105.03402	100.0
105.04539	4.5
105.07034	4.3
106.03724	1.3
107.08620	2.2
109.06528	0.7
109.10175	1.4
111.04412	0.4
115.05461	0.5
117.07027	1.2
119.08593	3.8
121.06520	0.9
121.10112	2.2
123.04526	0.5
123.11705	0.8
127.07533	0.4
128.06252	2.4
129.07013	0.8
131.08582	4.3
133.06514	0.7
133.10144	2.1
135.08058	1.0
135.11740	1.0
137.00040	1.3
137.13356	0.4
139.11333	0.4
141.07001	0.8
142.07808	0.7
143.08568	3.7
145.06543	1.0
145.10167	2.1
147.08046	2.0
147.11691	2.6
149.13213	0.5
155.01060	1.2
155.08563	1.4
157.10170	1.1
157.15303	0.4
158.10861	0.6
159.08046	3.8
159.11647	2.1
161.09645	4.2
161.13287	0.6
163.07510	0.4
165.09174	0.6
168.09384	1.4
171.08051	2.8
171.11806	0.6
172.08910	0.4
173.09637	0.6
173.13278	3.0
175.14841	0.7
177.09102	0.7
177.12816	0.5
183.11668	2.5
185.13309	1.1
187.07520	0.4
189.09146	4.1
189.12837	0.5
199.11266	0.6
201.12767	13.7
207.10202	1.1
211.03815	0.6
211.11134	2.0
219.13832	1.1
229.12265	7.7
247.13345	2.5
286.26672	0.4
311.12851	0.5
335.25922	1.2
349.39554	0.4
375.64032	0.4
446.87650	0.4
453.34360	0.8
471.25247	1.3
471.35211	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	470.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.5
57.03443	8.7
59.05008	0.3
61.02922	2.4
69.03438	7.2
69.07071	0.4
71.01360	1.2
71.15163	0.7
72.08173	0.3
73.02924	12.6
81.03432	0.7
81.07069	0.7
84.00752	0.3
85.02911	10.2
87.04460	0.7
91.03974	0.5
93.80130	0.3
96.04460	0.4
97.02900	12.5
99.08102	100.0
100.08430	1.2
103.03957	0.6
109.02892	0.9
115.03930	5.3
127.03927	3.0
133.04971	4.4
141.09102	3.6
144.06566	1.0
145.04970	3.5
150.07613	0.5
156.06598	0.5
159.10178	59.1
160.10550	0.6
162.07652	0.5
163.06012	0.8
180.08702	0.7
193.61557	0.3
223.06021	0.4
241.07181	0.5
255.12248	2.2
259.08231	0.6
276.10849	0.3
294.11761	0.5
295.10309	0.3
470.20764	0.5
471.21753	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.3317
Annotation	Anhydrobelachinal
Peak:m/z	Relative Intensity
53.92336	9.2
55.05503	15.4
59.77204	10.1
67.05491	31.5
69.07059	25.0
70.04140	23.0
70.04534	22.9
79.05495	23.5
81.07051	46.6
85.51631	9.4
86.84303	11.7
90.91796	10.1
91.05473	38.2
93.07044	56.6
95.04967	14.7
95.08614	56.6
97.06500	17.0
98.21384	14.3
105.07031	58.3
107.08588	76.9
109.10161	44.5
115.62704	9.7
117.07007	18.0
119.08584	78.9
121.10152	55.2
123.11669	17.1
131.08549	36.5
133.10132	56.4
135.08018	38.3
135.11714	21.8
137.09688	15.7
142.07742	14.4
143.08543	28.0
145.10130	77.5
147.11670	28.6
149.13234	16.7
157.10121	48.2
159.11700	64.3
161.09605	21.6
161.13277	33.4
163.11226	35.6
163.14845	11.5
170.10924	12.1
171.11678	32.2
173.13269	45.2
175.11151	30.3
175.14842	34.5
179.53325	12.2
183.11819	20.1
185.13228	40.3
187.14864	64.9
193.16043	10.8
197.13303	19.1
199.14774	59.0
201.16371	13.7
203.14392	28.7
203.17923	11.0
205.15878	35.3
219.13914	11.7
222.32462	12.9
231.17505	16.2
245.15324	34.0
279.08859	12.3
316.80136	12.1
383.59171	11.4
393.31506	28.8
405.31458	47.3
407.32877	12.3
414.26425	12.0
423.32553	32.3
439.32138	16.0
451.32120	35.5
457.48859	10.9
469.33438	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.3319
Annotation	Anhydrobelachinal
Peak:m/z	Relative Intensity
51.62535	9.2
55.05509	40.4
57.07065	10.2
58.20992	9.9
61.32540	8.6
67.05508	30.7
69.07074	35.8
71.03236	13.8
79.05501	22.7
81.07056	61.4
83.08630	35.0
91.05500	26.8
93.07038	62.2
95.08607	86.1
97.10195	25.9
101.06016	11.3
105.07030	66.3
107.08578	82.7
109.06539	11.9
109.10166	52.3
115.02824	9.7
117.07008	13.1
119.08594	100.0
121.06495	11.0
121.10135	78.6
123.11706	17.6
129.07025	10.2
129.49763	9.3
131.08583	41.4
133.10138	74.8
135.08041	16.6
135.11720	29.8
143.08571	21.6
144.09378	14.0
145.10139	76.1
147.08113	9.0
147.11714	47.4
149.13229	18.0
155.08521	12.0
157.10147	29.5
159.11673	51.3
161.09660	12.7
161.13254	37.4
163.11154	12.3
163.14793	12.5
171.11760	21.3
173.13310	57.7
175.14870	28.4
177.12947	11.4
183.11810	14.7
185.13342	13.9
187.14862	30.7
189.16386	12.5
199.14853	23.5
201.16405	16.1
203.18021	11.8
205.12337	12.4
213.16484	12.0
215.14433	12.1
215.17850	11.0
217.12245	9.8
219.13921	13.4
219.21298	10.1
223.08916	9.2
225.16325	17.6
231.13756	10.5
233.15443	27.1
235.17053	11.3
244.95955	10.9
245.15469	14.5
247.17001	13.8
276.05017	9.8
278.53671	9.9
287.20163	11.7
327.22736	11.1
355.99374	11.5
405.31558	21.0
423.32544	28.3
433.31128	25.5
451.32159	37.6
468.96423	15.8
469.33762	94.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.0874
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	3.0
56.96568	50.0
57.03436	5.0
59.04996	3.1
69.03438	12.6
69.83204	7.8
69.83615	3.3
70.98122	2.9
71.01367	9.8
71.95252	1.7
73.02914	2.7
81.03423	4.2
84.95528	4.0
84.96042	73.6
85.02909	18.6
85.76659	1.7
86.03204	2.1
86.09702	3.3
87.04482	3.9
97.01395	2.2
97.02895	22.4
98.97592	38.4
99.04428	2.0
101.00884	3.4
101.02365	1.7
102.97056	4.5
109.02882	3.4
110.97578	100.0
112.99158	7.1
113.00860	9.2
113.02394	3.0
113.69112	1.9
115.00673	2.9
115.02490	3.3
116.98660	9.0
119.01906	3.9
124.95474	4.6
124.99121	6.0
126.97048	1.9
127.00702	7.5
127.03894	4.3
128.98613	56.0
131.00188	3.8
131.01929	9.7
132.10242	2.2
133.03467	2.3
137.01015	2.0
138.97009	13.5
140.98621	7.4
142.96538	3.9
143.00179	6.7
143.01961	3.2
144.98068	4.7
145.01735	4.8
145.03503	3.6
145.04996	5.9
146.99678	12.5
147.01471	3.6
148.03848	2.3
150.97031	5.1
152.98601	6.6
155.01929	2.8
156.96820	2.0
156.98102	46.7
157.03456	2.7
158.99644	9.3
159.01364	5.2
159.03256	3.0
159.04955	1.8
161.01225	4.7
161.02948	3.3
163.02791	2.4
164.55719	1.7
168.98102	18.6
169.03377	2.3
170.99678	14.5
171.01399	5.8
171.05043	2.1
173.01247	3.3
173.02974	3.9
174.97812	1.9
174.99153	53.5
176.76804	1.7
177.00743	6.0
177.04346	5.1
180.98206	2.0
180.99866	2.0
182.99780	3.3
183.01421	4.6
184.97649	6.1
185.02968	3.7
186.99210	18.8
187.00925	3.2
189.00720	6.7
189.02344	2.2
193.00246	7.0
195.05153	2.2
196.97572	13.7
197.01193	1.6
197.02983	3.6
198.03075	2.9
198.99129	4.6
199.00905	10.8
201.00693	5.3
201.02438	2.4
202.98697	5.3
203.04004	2.7
205.00298	4.6
207.01782	2.3
213.02438	2.6
214.98640	22.3
217.00221	4.1
217.01949	4.3
219.01845	13.6
221.05203	1.8
223.01004	3.6
225.02400	2.9
229.00204	4.8
232.99744	5.5
235.01218	2.4
237.02762	9.1
239.04340	2.5
241.01982	8.0
245.03108	2.6
245.53432	2.0
247.01294	2.1
253.56851	2.3
256.99649	2.2
260.99075	2.4
265.05978	4.1
275.00647	3.3
278.99896	2.1
293.01794	3.9
300.10104	2.8
307.02994	1.9
309.04721	4.8
311.02557	3.1
321.08804	6.5
325.08359	2.2
327.00256	14.2
329.03540	5.2
345.01318	77.9
345.05621	3.8
363.02267	19.6
387.02359	23.2
399.04065	2.0
405.03137	4.6
409.10092	3.5
419.05020	28.2
437.06140	5.3
469.12637	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	469.0874
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	3.0
56.96568	50.0
57.03436	5.0
59.04996	3.1
69.03438	12.6
69.83204	7.8
69.83615	3.3
70.98122	2.9
71.01367	9.8
71.95252	1.7
73.02914	2.7
81.03423	4.2
84.95528	4.0
84.96042	73.6
85.02909	18.6
85.76659	1.7
86.03204	2.1
86.09702	3.3
87.04482	3.9
97.01395	2.2
97.02895	22.4
98.97592	38.4
99.04428	2.0
101.00884	3.4
101.02365	1.7
102.97056	4.5
109.02882	3.4
110.97578	100.0
112.99158	7.1
113.00860	9.2
113.02394	3.0
113.69112	1.9
115.00673	2.9
115.02490	3.3
116.98660	9.0
119.01906	3.9
124.95474	4.6
124.99121	6.0
126.97048	1.9
127.00702	7.5
127.03894	4.3
128.98613	56.0
131.00188	3.8
131.01929	9.7
132.10242	2.2
133.03467	2.3
137.01015	2.0
138.97009	13.5
140.98621	7.4
142.96538	3.9
143.00179	6.7
143.01961	3.2
144.98068	4.7
145.01735	4.8
145.03503	3.6
145.04996	5.9
146.99678	12.5
147.01471	3.6
148.03848	2.3
150.97031	5.1
152.98601	6.6
155.01929	2.8
156.96820	2.0
156.98102	46.7
157.03456	2.7
158.99644	9.3
159.01364	5.2
159.03256	3.0
159.04955	1.8
161.01225	4.7
161.02948	3.3
163.02791	2.4
164.55719	1.7
168.98102	18.6
169.03377	2.3
170.99678	14.5
171.01399	5.8
171.05043	2.1
173.01247	3.3
173.02974	3.9
174.97812	1.9
174.99153	53.5
176.76804	1.7
177.00743	6.0
177.04346	5.1
180.98206	2.0
180.99866	2.0
182.99780	3.3
183.01421	4.6
184.97649	6.1
185.02968	3.7
186.99210	18.8
187.00925	3.2
189.00720	6.7
189.02344	2.2
193.00246	7.0
195.05153	2.2
196.97572	13.7
197.01193	1.6
197.02983	3.6
198.03075	2.9
198.99129	4.6
199.00905	10.8
201.00693	5.3
201.02438	2.4
202.98697	5.3
203.04004	2.7
205.00298	4.6
207.01782	2.3
213.02438	2.6
214.98640	22.3
217.00221	4.1
217.01949	4.3
219.01845	13.6
221.05203	1.8
223.01004	3.6
225.02400	2.9
229.00204	4.8
232.99744	5.5
235.01218	2.4
237.02762	9.1
239.04340	2.5
241.01982	8.0
245.03108	2.6
245.53432	2.0
247.01294	2.1
253.56851	2.3
256.99649	2.2
260.99075	2.4
265.05978	4.1
275.00647	3.3
278.99896	2.1
293.01794	3.9
300.10104	2.8
307.02994	1.9
309.04721	4.8
311.02557	3.1
321.08804	6.5
325.08359	2.2
327.00256	14.2
329.03540	5.2
345.01318	77.9
345.05621	3.8
363.02267	19.6
387.02359	23.2
399.04065	2.0
405.03137	4.6
409.10092	3.5
419.05020	28.2
437.06140	5.3
469.12637	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	468.3087
Annotation	1-heptadecanoyl-glycero-3-phosphoethanolamine
Peak:m/z	Relative Intensity
54.75752	0.9
55.05507	3.3
57.03444	4.9
57.07083	28.8
57.37323	1.1
62.05798	1.5
62.06095	24.2
64.94479	1.0
67.05512	5.7
69.07053	4.5
69.85544	2.1
69.85964	3.4
71.08636	19.9
79.05527	1.2
81.07060	8.5
83.08614	4.6
83.09064	1.0
85.10186	12.5
89.06042	10.0
91.05465	1.0
93.07050	1.6
95.08603	10.5
97.10168	3.7
98.98484	7.1
106.86492	1.0
107.08558	1.4
109.10181	4.8
111.11719	1.5
111.16573	0.9
115.86331	1.0
119.08617	1.4
123.11709	2.5
124.01606	1.9
133.08615	5.7
151.14809	1.3
155.01030	7.4
155.18863	1.1
177.11247	1.5
187.96457	2.0
198.05302	1.6
216.06367	1.9
253.25369	1.5
283.17465	3.0
296.29489	11.8
310.41064	1.0
314.27704	1.1
327.28946	100.0
328.29410	2.0
347.37286	1.0
366.68314	1.0
376.44821	1.0
407.25485	5.0
450.29565	1.5
451.36530	2.4
467.96259	13.0
468.31830	2.1
468.37994	1.2
468.96426	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.3089
Annotation	Buprenorphine
Peak:m/z	Relative Intensity
51.32072	0.4
55.05501	0.8
55.12393	0.5
56.05029	1.4
57.03447	1.0
57.07072	3.3
58.06607	1.5
58.35498	0.4
59.07399	0.4
60.08169	16.2
67.05508	1.2
69.07070	1.1
70.10250	0.9
70.10669	1.3
71.07385	6.6
71.08614	2.2
81.07041	1.4
85.10197	1.0
86.09711	49.7
95.08599	1.7
98.98479	4.2
104.10750	100.0
105.06947	0.5
105.11095	0.6
107.08582	0.5
109.10170	0.7
125.00014	26.2
163.01651	0.5
181.02449	0.4
184.07350	96.4
187.96437	0.4
198.96385	0.4
217.14163	0.4
258.11139	1.1
285.24335	2.4
380.90686	0.4
391.22690	0.6
405.06238	0.5
450.29877	7.3
467.96402	2.7
468.30914	23.7
469.31607	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	0.7
55.01837	0.6
65.03908	0.5
67.05447	1.5
69.03374	0.7
69.07022	0.8
69.86780	1.6
69.87175	0.9
77.03866	0.6
79.05418	2.1
80.04981	1.3
81.05753	1.0
81.07013	1.0
82.06584	2.4
82.06934	0.7
84.75087	0.5
85.02852	1.0
91.05416	2.3
93.07047	7.2
94.06573	7.4
95.04925	1.0
95.07364	7.3
95.08579	1.3
96.08145	14.6
97.06463	1.5
101.21245	0.6
101.99857	0.4
103.05483	5.0
105.05750	0.5
105.06966	0.6
106.06489	0.9
107.08508	0.7
108.04442	0.9
108.08129	7.3
109.08875	1.2
110.09694	26.5
110.10396	1.0
117.27151	0.5
120.08122	16.7
121.06451	0.8
121.10085	0.5
122.06004	0.8
123.06752	1.4
124.07477	0.6
127.01855	0.6
131.04060	0.8
131.04947	10.6
134.05965	1.4
136.07515	1.7
138.09148	26.5
145.04916	0.8
146.06001	1.0
147.11656	0.7
148.07567	6.0
161.07066	2.6
166.08655	37.2
168.06628	0.5
176.06955	0.6
184.07616	0.7
187.08649	1.8
199.08627	1.0
201.10242	3.2
203.15411	0.6
213.10161	0.5
215.08168	1.0
215.11751	1.7
218.99171	0.5
225.10184	0.6
226.10872	0.8
229.09702	2.8
229.13338	1.0
230.10474	0.6
240.10014	0.6
241.13286	0.9
243.11263	1.9
247.10661	0.7
255.11159	1.5
257.12885	3.6
267.11227	1.5
275.13995	4.5
285.12405	4.4
297.12378	1.9
303.13422	100.0
304.13690	1.4
305.13614	1.5
306.13965	2.6
314.75916	0.6
315.13348	6.2
353.89957	0.6
373.92136	0.6
450.20282	0.8
468.21399	18.6
469.20410	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.2812
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	2.9
55.01879	10.6
55.05527	13.7
55.35052	1.7
55.95247	1.5
56.49446	1.7
57.03202	1.6
57.03446	23.1
57.07084	14.1
57.09314	1.4
59.04998	2.7
61.02937	15.7
67.05505	3.3
69.03088	2.2
69.03442	40.6
69.07076	16.8
70.10346	2.9
70.10731	3.8
71.01357	6.4
71.05006	3.6
71.08632	3.4
73.02926	88.7
80.39367	1.8
81.03409	7.6
81.07076	9.6
83.04986	2.1
83.08163	3.2
83.08632	55.2
85.02918	100.0
87.04474	6.1
87.80264	1.6
91.03981	3.6
91.05485	3.8
93.07028	4.0
95.04971	2.6
95.08598	5.3
96.04505	1.8
97.02907	70.1
97.10202	9.4
99.04436	5.7
103.03964	3.1
103.05468	2.9
104.64445	1.5
105.07011	5.3
107.08607	5.4
108.67415	1.6
109.02910	8.5
109.10159	1.9
111.08116	1.6
114.68176	1.6
115.03951	31.5
119.08585	3.7
123.08060	2.2
124.03970	4.6
125.09546	1.8
127.03949	31.7
127.11192	1.9
131.04932	5.8
133.04987	45.0
135.11687	2.0
139.14830	3.6
142.04993	3.3
145.04987	41.4
147.11728	2.3
150.07607	4.2
157.04974	2.1
157.15909	43.1
159.11729	1.9
163.06015	14.6
163.14821	3.2
169.09935	2.1
193.04945	1.9
217.07033	1.9
223.06021	8.6
235.16959	6.2
241.07069	8.1
241.90961	1.7
249.09232	2.0
253.17996	5.0
259.08118	10.2
265.18262	1.8
271.19156	1.8
283.19131	2.7
285.12674	2.1
295.10309	2.3
302.10666	2.0
327.13770	2.1
409.48175	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.389
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30130	3.3
55.05509	13.2
57.07074	12.2
63.11373	3.7
66.58141	4.1
67.05508	28.6
69.07079	27.3
79.05484	11.1
81.07063	59.4
83.08614	10.6
89.06017	4.3
91.05492	12.4
93.07050	38.6
95.08002	5.1
95.08618	100.0
97.10168	7.2
98.21151	26.4
103.83941	3.8
105.07038	30.1
107.08608	52.1
109.10162	78.2
111.11747	9.6
119.08599	62.0
121.10149	52.3
122.91472	3.8
123.11732	27.6
127.08645	4.5
131.08578	10.1
133.10149	36.1
135.11705	39.1
137.13260	15.2
145.10139	17.0
147.11671	31.0
149.13249	13.5
157.10204	4.0
159.11711	20.9
161.13304	24.0
163.14815	16.3
170.59770	3.7
171.72829	3.2
173.13260	10.0
175.14853	17.6
177.16412	15.5
186.30637	3.4
187.14847	10.0
189.16415	51.1
190.72627	3.1
191.17955	36.1
201.16408	10.4
203.18001	23.7
205.19606	8.6
215.17982	14.8
217.19513	18.3
229.13960	4.0
229.19496	10.3
231.21124	7.3
243.20964	7.2
245.22702	11.3
250.69341	3.2
255.21239	5.2
257.22876	4.9
269.22629	4.1
271.24301	5.5
297.25897	4.5
376.29675	3.9
407.36743	43.3
467.38638	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	468.1138
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73749	1.9
53.03943	3.7
55.01868	5.8
55.05504	5.6
56.96570	40.5
57.03443	23.8
58.04213	2.1
59.05005	6.1
61.02924	7.1
61.75071	1.9
69.03436	27.6
69.96803	4.8
69.97198	4.8
71.01365	49.2
71.04996	5.0
73.02930	15.3
73.06557	7.5
76.87013	2.0
81.03423	7.1
83.01362	3.3
84.96044	25.3
85.02917	66.6
86.03280	2.7
87.04482	22.3
91.05490	2.5
93.32827	2.0
95.00780	2.2
95.01335	6.2
97.02307	3.3
97.02902	37.5
98.03146	2.2
98.97594	100.0
99.04453	7.7
99.97945	2.3
101.00887	2.9
101.02393	6.5
103.00544	2.7
103.03949	4.8
109.02863	3.3
110.97583	45.1
113.02386	20.2
115.03937	4.1
116.98631	27.2
119.01900	3.4
124.99120	5.5
126.97052	6.2
127.00722	3.8
127.03936	9.5
128.98631	26.2
129.01849	11.5
130.00954	2.6
131.00183	3.8
131.01877	2.4
131.03424	4.4
134.99667	1.9
138.97075	5.5
140.98668	5.4
143.00162	10.7
143.01930	3.6
143.03407	4.5
144.02043	2.0
144.03738	2.5
144.98080	6.5
145.01645	6.5
145.04993	11.7
146.04161	6.9
146.99695	5.0
147.03275	6.5
147.04395	3.1
152.98676	4.0
155.01930	3.7
155.03400	3.9
155.04671	60.9
155.54860	3.8
156.98152	14.2
157.01599	2.4
158.99684	45.2
159.01160	3.2
159.01500	2.6
159.02925	4.0
161.01224	3.7
161.02946	4.7
161.04845	2.8
162.99187	4.3
163.02803	3.1
164.05281	5.1
166.02266	2.0
167.07080	2.8
168.98106	9.8
170.99699	9.8
171.03242	5.9
173.01311	4.5
173.06502	2.8
174.99124	14.8
175.02718	3.0
177.00739	18.2
179.02275	2.4
182.01482	2.9
182.99786	2.5
184.97604	4.2
185.01172	3.2
186.99153	7.5
189.00737	7.8
189.02408	3.7
189.04375	7.9
191.02271	2.9
192.04726	2.5
196.97571	3.8
198.99156	4.9
201.00740	7.8
201.04330	3.8
201.41133	2.2
202.04927	2.4
202.98628	3.6
203.02220	2.1
205.00307	2.3
210.04700	5.8
211.05478	9.5
214.98779	7.6
215.02171	2.6
217.00168	4.9
219.01776	15.7
225.05217	7.5
227.06789	4.5
231.05359	3.4
232.99713	5.3
237.02870	15.1
241.06641	2.4
243.01643	3.4
247.01556	2.6
252.01990	5.0
254.03540	3.0
256.99902	2.8
261.02716	5.2
261.06415	3.3
275.00888	4.2
275.09875	2.3
276.06909	3.4
281.05969	4.8
282.02878	2.2
290.06546	10.3
291.07333	17.0
293.10931	5.1
294.03061	2.8
294.11105	4.4
297.07339	4.4
298.08328	2.5
301.02936	2.1
304.06268	10.4
306.07834	3.0
307.08774	2.7
308.02933	6.3
308.53113	2.8
309.08557	40.7
310.08878	7.2
313.06900	4.7
315.03540	3.8
317.03479	11.4
324.04312	13.9
326.04092	9.3
327.00238	3.2
333.04736	29.5
333.55069	5.3
336.07220	7.9
337.08133	4.6
342.05261	15.0
342.55615	2.6
345.01367	11.2
363.02243	6.7
369.07657	21.7
369.57748	4.2
376.08685	6.4
378.08176	12.2
378.58347	2.2
403.09235	2.2
419.08725	3.7
434.08832	4.4
441.09998	2.5
467.96069	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	466.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81496	1.4
53.03947	2.2
54.47961	1.2
55.01867	1.5
55.05512	4.3
57.03446	6.9
59.70204	1.4
61.02926	2.0
66.39692	1.4
67.05515	21.6
69.03415	4.3
69.07068	10.4
69.53466	9.7
71.04971	2.9
71.66270	1.3
73.02905	2.3
79.05503	12.9
80.65987	1.2
81.03452	1.9
81.07066	30.4
83.04984	3.6
83.08627	5.0
85.02914	7.6
85.06547	1.8
91.03943	1.6
91.05497	6.7
93.07056	21.4
95.04949	2.0
95.08617	8.1
97.02893	5.2
97.06545	6.8
99.08081	2.2
99.83961	1.3
103.05486	9.6
104.05800	3.8
105.07024	3.8
106.14642	1.2
107.08592	10.6
109.02913	2.1
109.10159	3.1
111.08078	2.3
112.77550	1.3
117.07008	3.7
119.08594	2.5
121.06514	5.0
121.10161	9.1
122.06845	2.2
123.11697	1.3
127.03953	2.1
128.78647	1.1
131.04945	23.1
131.08542	4.5
132.05289	15.3
133.10133	3.7
135.08031	1.4
135.11684	2.7
145.04993	3.2
149.13274	15.7
153.01813	5.0
154.02164	1.5
157.10162	1.9
159.11713	8.0
177.12762	4.4
195.13820	7.7
210.14993	1.6
223.07413	1.5
269.17511	100.0
270.18036	2.9
301.95432	1.6
303.05029	9.9
304.05368	19.5
392.08499	1.6
395.73605	1.3
434.09702	2.5
465.96191	5.4
466.10791	1.4
466.20126	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.2773
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89376	1.6
55.05514	9.8
57.03447	9.1
57.07082	34.8
60.23011	1.6
67.05510	32.7
69.07071	8.6
69.53435	1.8
71.08640	27.9
77.02298	1.7
79.60809	1.6
81.07070	20.6
81.68443	1.8
81.99134	1.7
83.08641	8.8
85.06551	2.1
85.10191	17.3
89.06042	2.1
91.05471	1.7
93.07035	2.9
95.08618	23.4
97.10194	5.0
98.20719	4.2
98.98478	48.4
105.07060	2.1
107.08627	3.5
109.10171	23.1
115.59613	1.9
119.08671	2.7
121.10141	2.2
123.11703	5.7
132.09030	2.1
137.00038	3.2
137.13284	2.6
143.28587	1.7
155.01062	51.2
159.26291	2.1
173.11812	2.7
204.22778	2.0
239.23700	5.7
313.27402	100.0
366.46835	1.9
393.23636	2.5
449.26456	12.7
466.96820	8.3
467.31192	6.9
467.37363	14.7
467.96100	5.9
468.02289	2.0
480.50952	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.3735
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33214	0.6
50.88823	0.6
53.00291	0.7
53.03934	1.2
55.05519	11.4
57.03435	1.7
57.07080	34.7
59.05000	4.0
65.03939	2.5
67.05508	100.0
69.07068	9.5
69.61601	4.0
71.04999	3.1
71.08637	24.1
76.01799	0.8
79.05514	3.0
81.07057	32.0
83.08623	15.9
85.06546	3.4
85.10187	13.6
89.06026	1.7
91.05490	6.4
93.07055	4.1
95.08611	29.1
97.10160	6.0
98.20969	1.6
98.86801	0.8
99.08099	0.9
99.11737	0.9
107.08575	3.7
107.77435	0.7
108.76830	0.8
109.10164	77.3
111.08121	2.8
111.11741	1.5
119.08585	6.8
123.11703	5.6
125.13308	0.8
132.69969	0.8
133.08594	1.4
133.10130	1.0
137.09621	3.5
137.13318	2.6
149.13318	0.8
151.14853	1.0
155.10709	6.3
157.10204	0.7
159.11800	0.8
173.10252	1.4
173.11752	26.5
239.23708	8.8
316.39099	0.8
359.73151	0.8
449.30551	0.7
466.97260	0.8
467.31717	4.7
467.37363	88.2
467.96201	1.5
468.37732	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02388	0.5
53.03943	1.9
55.01859	1.0
57.03436	1.4
61.02940	1.8
61.50378	0.4
69.03437	3.5
70.06595	0.6
70.85112	1.2
71.04971	0.4
72.08187	0.5
73.02908	0.5
79.05503	5.1
81.03430	1.8
85.02915	15.4
87.04480	0.6
91.05537	0.5
93.07005	0.6
95.04960	1.5
97.02905	5.2
99.04463	0.7
105.04511	0.8
105.07050	0.6
107.04967	100.0
108.05293	0.6
109.02884	1.9
109.06530	0.8
111.00804	0.4
121.02882	0.7
123.04457	0.5
127.03930	3.6
136.07539	0.5
137.02370	1.9
137.06010	0.6
138.02682	0.7
145.04982	6.5
145.93430	0.4
153.01865	1.3
154.02185	0.9
161.06096	0.5
163.06018	2.2
166.02238	1.0
167.07095	0.5
169.01364	0.5
200.09471	0.5
202.05733	0.8
213.66690	0.4
229.05034	1.4
230.05360	1.8
254.20448	0.4
258.04794	1.3
286.04343	0.6
303.01593	0.9
303.05032	15.8
304.05368	37.6
305.05743	0.8
320.05099	0.8
325.11267	0.4
357.68466	0.4
465.96674	1.9
466.10629	0.7
466.16434	0.5
478.47955	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2657
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.7
54.56909	0.4
55.01892	2.1
55.05519	1.1
57.03440	4.7
57.07080	2.2
59.05031	0.5
60.39386	0.5
60.85934	0.5
61.02939	3.8
65.03924	0.6
67.05516	4.3
69.03087	0.6
69.03439	9.2
69.07074	5.3
70.80273	1.2
71.01369	1.2
71.05019	0.5
73.02928	18.5
79.05510	8.1
81.03426	1.7
81.07066	100.0
85.02914	23.5
86.03319	0.5
87.04504	1.3
91.03964	1.3
91.05466	0.6
93.07059	1.4
95.04999	0.5
95.08619	21.4
97.02906	18.2
99.04451	1.2
103.03978	1.2
103.05464	0.5
105.07045	0.6
106.42009	0.5
107.08614	1.0
109.02901	2.3
109.10151	2.1
115.03944	8.7
121.06523	0.7
124.03956	0.7
127.03935	9.1
131.04971	1.0
132.05269	0.4
133.04980	13.6
137.13272	18.9
138.08388	0.4
144.06667	0.5
145.04971	11.9
147.60797	0.4
148.26324	0.4
149.13367	0.5
150.07603	1.1
163.06055	5.9
169.05045	0.8
191.31857	0.5
193.05025	0.5
199.06145	0.7
217.07156	1.0
223.05997	2.1
241.07111	3.0
259.08203	4.6
269.17645	0.8
277.09317	1.0
295.10364	1.8
303.05032	1.0
304.05521	2.1
320.21716	0.5
465.96887	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.2
55.01889	1.5
55.05504	2.3
57.03445	10.0
57.07083	5.7
59.05017	4.6
61.02932	6.5
67.05508	6.3
68.99786	1.4
69.03439	33.1
69.07068	3.8
71.04982	1.9
71.51151	0.8
72.08136	1.2
73.02930	2.9
75.04495	1.0
79.05486	1.6
81.03440	3.1
81.07074	3.5
81.14874	0.6
83.04970	1.4
83.08639	1.5
84.04492	0.7
84.08153	1.3
85.02916	28.5
85.06554	3.9
86.09714	1.5
87.04478	17.1
90.83163	0.6
91.03954	2.5
91.05469	1.8
93.07063	3.8
95.04983	3.0
95.08620	29.2
96.08173	0.8
97.02298	1.2
97.02908	23.1
97.06519	2.6
98.06083	0.6
98.17366	0.6
99.04461	1.9
99.08108	5.0
105.03395	3.1
105.07046	2.0
106.03730	0.7
107.04961	1.0
107.08607	3.8
109.02883	1.1
109.06532	8.4
109.10159	5.5
111.00781	0.7
111.08074	3.0
113.09656	33.0
115.03944	20.7
115.04755	0.8
119.08608	1.5
120.08127	3.1
121.02905	2.0
121.06503	1.9
121.10174	1.5
123.04469	0.7
123.08115	0.8
127.03930	3.4
127.11202	5.2
131.08542	0.8
133.04987	18.5
133.10147	1.5
135.08095	1.0
135.11714	4.2
137.02371	4.7
137.09668	1.0
137.13269	2.6
138.09119	1.7
139.03908	0.7
139.07542	0.7
140.03456	0.7
143.08575	1.0
144.23097	0.6
145.05005	2.4
145.10217	0.8
148.07547	0.8
151.03809	0.6
151.11157	0.8
153.01880	4.7
153.12764	25.4
155.14314	7.0
157.10088	0.8
159.11729	0.8
165.01826	3.3
166.08722	0.8
171.11679	0.7
171.13823	12.3
173.09543	0.6
173.73674	0.6
174.09174	0.9
175.11154	0.8
176.07097	0.7
177.05444	0.7
177.12741	2.8
178.05028	0.7
179.05580	1.0
187.06151	0.8
195.13846	2.2
201.05469	2.4
201.16496	0.7
203.14349	0.6
213.14870	5.6
229.04999	6.5
249.14980	0.8
255.16011	0.7
257.04440	2.4
257.12927	1.0
267.16034	1.0
274.04807	1.2
285.03937	0.8
285.12360	0.9
297.16980	0.8
303.05026	100.0
303.18002	2.0
304.05316	2.7
315.04999	1.8
319.04599	2.2
329.11118	1.1
333.18985	0.9
335.20300	0.6
345.06055	1.0
369.05978	1.3
419.18164	1.4
437.19543	1.3
447.17786	2.4
465.09937	0.8
465.19354	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03963	0.7
53.07800	0.9
55.05505	2.7
57.03451	4.7
58.66089	0.8
59.04999	1.9
61.02932	2.1
67.05522	1.1
68.05109	0.8
69.03432	8.9
69.07059	2.2
69.57302	1.5
69.57713	3.8
71.04999	15.7
73.02923	8.0
73.06570	5.1
75.50616	0.8
79.05497	5.6
81.03418	1.7
81.07069	24.6
85.02915	14.0
86.09719	2.2
87.04478	1.5
91.05503	3.1
93.07056	15.0
95.04973	1.0
95.08612	3.2
97.02912	11.2
97.06534	1.7
99.08096	1.9
103.05505	0.8
103.15119	0.7
105.07057	1.9
107.08617	12.2
109.02883	2.8
109.10166	2.9
115.03941	6.8
119.08603	2.2
120.08160	0.9
127.03945	4.3
131.04944	1.4
131.08606	1.0
133.04993	2.9
133.10168	1.2
135.11716	24.4
136.07579	1.2
137.05937	1.1
145.04950	2.9
146.69620	1.0
153.01872	2.3
153.12767	100.0
154.13074	2.0
163.06067	0.9
184.86057	0.8
199.14893	0.9
223.06114	1.3
229.05064	1.3
233.15538	0.7
259.08075	0.8
285.12262	1.1
302.51382	0.8
303.05026	22.5
303.13474	1.0
310.07300	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.8
53.74261	0.7
55.01865	2.3
55.05511	2.4
57.03452	4.0
59.05007	1.6
61.02945	3.5
62.84588	0.6
67.05478	1.2
68.99816	0.7
69.03137	0.8
69.03444	9.4
69.07085	3.9
70.06589	1.0
71.05001	14.9
71.51537	1.0
73.02924	5.2
73.06561	3.2
79.05504	5.2
81.03434	3.5
81.07070	19.7
83.04969	1.0
84.08115	0.7
85.02918	20.8
86.09730	0.9
87.04448	0.9
91.03963	1.4
91.05489	3.2
93.07060	14.4
94.75963	0.7
95.04968	1.9
95.08624	4.1
97.02906	14.0
97.06538	2.0
99.04414	1.5
99.08053	0.7
103.03976	0.7
103.05478	1.3
105.07043	3.3
107.04950	1.6
107.08607	11.8
109.02917	3.3
109.06518	1.2
109.10157	2.8
111.08114	1.2
115.03950	4.3
117.07033	0.9
117.19923	0.6
119.08604	1.8
121.02828	1.4
121.06506	1.0
121.10128	1.0
123.04433	1.0
127.03937	5.8
128.06239	1.0
129.07027	1.9
131.04964	1.8
131.08618	1.7
133.04977	5.0
133.10187	1.2
135.04436	0.7
135.10699	1.3
135.11716	21.8
137.02365	3.0
137.05983	1.6
143.08580	1.2
145.05006	4.6
145.10126	1.2
153.01840	2.5
153.05496	0.9
153.12766	100.0
154.13177	1.1
155.07076	0.9
157.06415	1.1
157.10182	1.4
159.11815	0.9
161.06024	2.6
163.04005	1.2
163.06026	1.6
163.07523	1.1
165.01892	1.6
167.07071	4.1
175.07582	1.7
181.08667	1.8
189.09166	2.9
199.14888	1.3
201.05531	0.9
217.15961	0.9
219.10156	1.4
225.09103	0.8
229.04961	4.2
242.24863	0.8
257.04465	2.4
267.11380	1.1
285.03955	1.1
285.11893	0.8
303.05032	66.9
304.05383	1.3
318.03775	1.0
333.05945	3.5
338.69720	0.8
343.15427	1.2
343.70642	0.8
360.15799	0.8
361.16479	3.2
447.21320	0.9
465.14041	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1032
Annotation	quercetin-3-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
53.03934	0.5
55.01858	0.7
61.02943	3.3
68.99787	0.8
69.03437	2.6
70.05419	0.4
70.06122	1.1
71.04982	0.4
73.02913	0.5
81.03408	1.5
85.02916	8.5
91.03960	1.5
97.02899	3.7
99.04436	0.5
109.02882	1.9
111.00796	1.6
119.97800	0.4
121.02866	1.8
127.03929	1.5
137.02344	4.8
145.04993	1.2
153.00627	0.3
153.01833	6.7
163.03949	1.2
165.01860	2.8
172.77914	0.4
173.05997	0.9
174.36107	0.5
183.02881	0.7
201.05482	2.7
207.20349	0.4
215.25374	0.4
229.04988	5.3
243.06625	0.5
247.06067	1.4
257.04449	3.1
274.04761	0.9
285.03983	1.7
302.04358	0.5
303.05026	100.0
304.05310	2.1
315.05063	1.4
319.07184	0.5
345.06168	1.0
369.06244	0.8
465.74619	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1033
Annotation	quercetin-3-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
53.03947	0.9
61.02923	2.0
68.99774	0.7
69.03439	4.0
69.22247	5.1
81.03415	2.4
85.02921	9.1
87.04487	0.7
93.35498	0.5
97.02899	3.0
98.20747	1.1
99.04479	0.8
109.02889	2.2
110.14497	0.4
111.00800	1.1
121.02898	0.8
127.03934	1.8
137.02383	4.6
145.04977	1.3
145.06407	0.4
149.02321	0.5
153.01851	5.1
163.03931	0.8
165.01875	2.6
173.06049	0.8
183.02975	1.0
183.04466	1.2
187.04106	0.6
195.02937	0.7
201.05504	2.8
229.05043	4.7
247.06183	0.6
257.04559	3.9
274.04761	1.0
285.04016	1.2
303.05032	100.0
304.05389	2.0
305.44479	0.6
331.66745	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1032
Annotation	quercetin-3-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
59.00632	0.2
65.03937	0.3
65.73378	0.1
67.01873	0.1
67.05503	0.2
68.99794	0.9
69.68468	0.4
69.68869	0.3
80.35620	0.1
81.03418	0.3
85.02906	0.3
87.81985	0.1
93.03403	0.4
95.04964	0.4
98.21606	0.1
103.78366	0.1
105.07008	0.1
109.02896	0.5
111.00813	0.9
111.95258	0.1
121.02863	1.3
123.04457	0.4
127.03941	0.2
135.04460	0.1
137.02348	3.5
137.03386	0.2
145.06488	0.2
149.02350	0.7
153.01830	4.7
155.04906	0.3
155.06049	0.1
157.06467	0.1
158.97327	0.1
159.04414	0.2
160.96227	0.1
161.06006	0.4
163.03886	0.6
165.00546	0.2
165.01859	2.4
166.02589	0.2
173.06009	0.5
179.03378	0.2
183.02885	0.8
183.04440	0.4
187.03911	0.5
187.82991	0.1
191.03427	0.3
193.12221	0.2
195.02922	0.2
201.05478	2.6
205.05028	0.2
213.05577	0.2
219.06596	0.3
228.04121	0.3
229.04982	5.6
234.99062	0.4
247.06053	0.8
257.04471	3.5
274.04779	1.0
275.05475	0.2
285.03888	1.5
303.05002	100.0
304.05322	1.8
446.51434	0.2
465.10403	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1029
Annotation	quercetin-3-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
53.03946	0.7
55.01885	0.5
57.03432	0.7
61.02921	2.2
69.03442	3.1
70.54968	0.8
70.55341	1.3
75.32746	0.5
79.24959	0.4
81.03418	1.8
85.02917	7.3
91.03969	1.1
97.02905	2.4
109.02876	1.5
111.00791	1.1
121.02906	0.6
127.03915	1.5
137.02348	2.7
145.04929	1.0
153.01836	5.1
165.01886	2.2
166.02696	0.7
183.02905	1.2
187.03929	0.6
201.05435	1.5
228.04045	0.7
228.44008	0.5
229.04971	5.4
247.05978	0.6
257.04544	3.4
274.04819	1.1
285.03900	2.1
303.05014	100.0
303.82217	0.6
304.05325	1.9
356.11005	0.5
376.14529	0.6
452.46512	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1035
Annotation	quercetin-3-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
53.03960	0.5
54.04138	0.2
55.01867	0.7
55.05502	0.2
57.03442	1.3
61.02925	2.0
65.03930	0.4
65.60072	0.2
67.05505	0.6
68.60040	0.2
68.99788	0.9
69.03097	0.3
69.03438	5.0
69.07063	0.3
69.52886	1.6
71.01350	0.4
71.04985	0.5
73.02925	1.7
79.05487	0.5
79.38901	0.2
81.03423	2.4
81.07044	1.0
85.02914	13.2
85.06512	0.2
87.04453	1.0
91.03960	0.9
91.05466	0.6
93.03429	0.5
93.07045	1.0
95.04957	0.6
95.08604	0.8
97.02905	4.1
99.04473	1.1
101.02421	0.3
102.61478	0.2
103.03915	0.3
103.05461	1.0
103.88424	0.2
105.07057	0.5
107.08579	0.6
109.02885	1.9
109.06497	0.5
109.10174	0.4
109.64248	0.2
111.00851	1.1
115.03938	0.8
115.05460	0.2
117.06969	0.2
119.08577	0.4
121.02866	1.5
121.06478	0.5
121.10138	0.6
123.04394	0.4
124.03954	0.8
125.05987	0.2
127.03934	3.2
129.07008	0.4
131.04936	2.6
133.10103	0.6
135.08087	0.3
135.11765	0.3
137.00464	0.2
137.02361	3.5
137.06001	0.7
145.04953	1.4
145.06487	0.3
145.10155	0.4
149.02370	0.4
149.09676	0.4
151.06207	0.2
151.07520	0.4
153.01854	5.2
155.04970	0.2
157.10185	0.4
159.04373	0.3
159.11729	0.2
161.05989	0.4
163.03954	1.0
163.07497	0.3
165.01842	2.2
165.09178	0.2
166.02640	0.3
173.05975	0.5
183.02907	0.9
183.04372	0.3
191.03400	0.2
201.05518	1.8
201.16487	0.3
202.59496	0.2
205.04974	0.3
213.12785	0.2
217.05049	0.3
217.10327	0.3
219.06473	0.3
228.04251	0.5
229.04985	5.2
243.08824	0.2
244.09520	0.7
245.04369	0.3
245.09801	0.2
246.10191	0.4
247.06006	0.7
257.04514	3.1
258.05127	0.2
274.04752	1.0
285.04010	1.8
285.12646	0.2
286.04861	0.3
287.05594	2.4
302.04272	0.7
303.05014	100.0
304.05273	1.2
315.04642	0.2
327.04984	0.3
345.06180	1.1
379.15738	0.2
380.16290	0.5
381.16553	0.3
391.08292	0.2
393.28040	0.3
465.10709	1.7
465.23273	1.7
465.28967	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.2776
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20066	1.6
55.05518	15.8
57.03438	7.7
57.07072	2.5
61.80820	1.7
66.28101	1.6
67.05180	2.9
67.05513	31.5
69.07082	15.1
71.51549	1.9
79.05516	9.0
81.07066	31.8
83.08621	7.6
84.04535	2.1
91.05491	5.8
91.21828	1.7
93.07052	11.3
95.08620	21.6
96.08942	2.3
97.06559	2.0
97.10172	3.0
105.07037	5.0
105.14159	1.8
107.08622	7.0
109.10180	10.7
112.40503	1.7
119.08585	2.1
121.10162	3.9
121.64863	1.6
121.87679	1.6
123.11691	2.8
133.10141	3.7
135.11716	2.0
149.13242	1.7
160.23880	1.9
185.96667	4.3
193.61595	1.7
208.89104	1.6
276.55359	1.7
292.26370	4.3
303.05078	9.5
323.25842	100.0
324.26294	2.0
411.51752	1.9
463.96780	21.6
464.30643	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	464.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97744	3.6
53.03948	8.2
55.05515	8.1
64.69920	4.3
67.05513	22.5
69.03423	4.8
69.07064	7.5
69.62917	11.8
69.63327	15.2
78.94412	4.4
79.05499	9.2
81.07079	30.9
83.04979	18.4
83.08604	5.3
83.16573	4.5
87.18090	3.8
91.05481	12.9
93.07061	19.3
95.04958	9.9
95.08601	12.3
105.03400	100.0
105.07035	14.4
107.04929	5.3
107.08593	10.1
108.08920	5.6
109.06528	5.9
110.45222	4.5
119.08575	11.4
131.08630	4.6
133.10146	11.7
143.08565	7.9
145.10136	7.7
147.08031	12.2
149.09492	4.7
149.13290	7.8
154.38054	4.3
159.11685	5.6
161.09613	59.0
165.09129	7.6
179.10745	5.1
185.96573	5.9
189.09145	14.3
196.14046	5.1
201.12758	10.1
207.10184	11.2
217.12053	4.2
229.12158	6.6
244.65544	4.4
247.13243	11.0
265.14536	5.2
303.05063	26.3
463.96805	35.8
464.30673	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	464.213
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.2
53.19436	1.1
55.01875	3.2
55.05527	0.9
57.03439	5.1
58.91479	0.8
61.02932	9.4
65.03934	1.2
67.05498	0.9
68.99771	0.9
69.03436	17.7
69.80341	0.9
70.06571	1.0
70.56845	3.7
71.04989	2.4
72.08149	1.2
73.02920	4.1
79.05491	2.2
81.03425	6.5
81.07050	1.1
85.02913	100.0
86.03235	1.1
87.04487	2.0
91.03969	5.8
91.05491	2.4
93.07063	1.5
95.04951	2.3
97.02305	1.6
97.02907	27.7
97.06520	1.2
99.04437	5.9
105.03417	2.0
105.07040	16.7
107.04958	1.5
109.02908	8.1
113.10560	1.0
115.03933	2.1
119.08607	2.8
120.08086	2.6
121.02888	2.3
127.03936	26.4
129.06985	0.9
133.05003	1.0
133.10181	1.5
137.02357	3.6
138.09142	1.3
143.08556	1.3
145.04976	51.6
147.08067	1.7
153.01871	6.5
161.05940	1.3
163.06039	20.4
165.01823	2.7
171.18333	1.0
172.08763	2.5
187.07346	1.5
189.34590	1.0
198.06552	1.1
201.05440	3.4
203.14307	1.2
216.07750	2.7
229.05035	4.8
231.10100	1.3
243.08795	21.4
244.09567	11.0
249.14998	1.3
257.04477	3.1
267.12289	2.1
270.70944	1.1
273.04083	1.2
274.04486	2.2
285.03864	1.5
285.13174	1.6
289.94315	1.0
294.63953	1.0
303.05020	91.3
315.13028	1.5
317.06650	5.3
318.06958	13.5
319.04434	6.0
345.06122	1.5
378.15344	15.6
379.16275	4.6
380.12582	1.0
391.18527	1.1
446.16376	3.3
447.17239	2.0
464.17181	5.1
465.18564	2.8
487.02927	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.213
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23330	0.7
53.03948	1.6
55.01869	2.0
57.03442	4.8
59.86254	0.6
61.02932	9.4
69.03431	14.9
69.67643	0.6
70.06586	1.6
71.04990	2.6
71.21651	0.7
71.21992	1.0
73.02926	3.4
74.34205	0.6
78.05777	0.7
81.03432	6.1
81.07050	1.0
81.25351	0.7
83.04974	0.7
84.88168	0.6
85.02910	100.0
86.09715	0.7
87.04487	2.4
91.03968	4.2
91.05487	1.6
95.05007	1.0
95.08619	1.1
97.02896	24.5
99.04458	2.8
100.04778	0.7
105.07018	8.4
109.02874	7.5
115.03944	1.6
120.08141	1.4
127.03923	26.4
131.08598	0.7
145.04965	54.3
147.08095	1.4
153.01842	1.6
153.05492	0.9
163.06030	24.7
163.07414	1.3
180.08716	1.0
181.08611	1.3
199.07361	0.7
199.09665	0.9
213.86670	0.9
229.04973	0.9
243.08781	5.9
244.09694	3.3
249.11453	1.0
285.13461	3.2
303.04999	24.0
317.06775	1.2
318.06952	3.5
319.04572	2.0
325.11642	0.8
345.06284	0.8
350.84418	0.8
378.15411	3.9
379.16333	1.4
425.03952	0.8
428.15482	1.1
446.16620	2.4
463.96512	1.2
464.17267	1.7
465.18576	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.213
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23330	0.7
53.03948	1.6
55.01869	2.0
57.03442	4.8
59.86254	0.6
61.02932	9.4
69.03431	14.9
69.67643	0.6
70.06586	1.6
71.04990	2.6
71.21651	0.7
71.21992	1.0
73.02926	3.4
74.34205	0.6
78.05777	0.7
81.03432	6.1
81.07050	1.0
81.25351	0.7
83.04974	0.7
84.88168	0.6
85.02910	100.0
86.09715	0.7
87.04487	2.4
91.03968	4.2
91.05487	1.6
95.05007	1.0
95.08619	1.1
97.02896	24.5
99.04458	2.8
100.04778	0.7
105.07018	8.4
109.02874	7.5
115.03944	1.6
120.08141	1.4
127.03923	26.4
131.08598	0.7
145.04965	54.3
147.08095	1.4
153.01842	1.6
153.05492	0.9
163.06030	24.7
163.07414	1.3
180.08716	1.0
181.08611	1.3
199.07361	0.7
199.09665	0.9
213.86670	0.9
229.04973	0.9
243.08781	5.9
244.09694	3.3
249.11453	1.0
285.13461	3.2
303.04999	24.0
317.06775	1.2
318.06952	3.5
319.04572	2.0
325.11642	0.8
345.06284	0.8
350.84418	0.8
378.15411	3.9
379.16333	1.4
425.03952	0.8
428.15482	1.1
446.16620	2.4
463.96512	1.2
464.17267	1.7
465.18576	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.3
55.05519	0.3
57.01881	0.2
59.05010	0.5
65.07185	0.3
67.05505	0.4
67.88085	0.2
70.88465	0.4
70.88795	0.4
72.08149	0.3
78.03451	0.8
79.04232	0.3
80.05021	3.9
81.07061	0.7
83.04963	0.4
85.02898	0.6
91.05469	0.5
93.07053	0.6
95.04978	0.4
95.08612	0.7
96.04498	2.8
103.05471	0.8
105.07037	0.5
106.02950	0.6
107.08631	0.4
107.68405	0.2
109.10146	0.4
119.08578	0.7
121.06530	0.8
121.10141	0.3
123.04458	0.6
123.08072	0.4
124.03963	100.0
125.04301	0.8
129.07002	0.8
131.04932	0.9
131.08582	0.7
133.06609	0.3
133.10196	0.3
137.06038	0.3
137.09656	0.3
143.08455	0.3
145.06523	0.3
147.04445	0.4
147.08070	0.6
149.09671	0.3
150.09183	0.4
151.07565	0.4
153.68039	0.2
157.06476	1.3
159.08086	0.9
163.07590	0.6
169.10086	0.3
175.07565	2.6
177.09160	1.8
181.06509	0.3
187.07584	1.0
187.11172	0.3
193.08612	8.0
197.09604	0.3
205.08612	2.0
205.12259	0.9
207.03114	0.2
211.11107	0.3
212.11526	0.6
215.10738	0.5
223.09656	0.8
233.11716	2.3
235.09665	2.1
241.10657	0.3
245.11855	0.3
251.12680	0.4
263.12759	0.3
303.05023	3.4
375.46490	0.3
409.81268	0.3
428.16339	0.3
446.18124	0.4
463.96967	1.8
464.18921	2.1
464.32434	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.4
55.01869	0.5
55.02122	0.2
55.05513	0.6
59.05005	0.5
61.02911	0.2
63.38092	0.2
67.05503	0.6
69.03420	0.7
70.06612	0.3
70.54476	0.6
71.05006	0.2
71.94156	0.2
72.88197	0.2
73.02914	0.2
78.03452	0.8
79.05491	0.5
80.05022	3.7
81.07063	0.9
83.04982	2.3
85.02898	1.1
85.06583	0.5
91.05484	1.0
93.07043	0.9
93.07565	0.2
95.04964	0.6
95.08623	0.6
96.04507	2.7
96.11312	0.2
97.02899	0.5
97.06504	0.2
97.10173	0.2
99.04454	0.3
102.00916	0.2
103.05470	0.8
105.03388	0.5
105.07035	0.8
106.30959	0.2
107.04951	0.3
107.08608	0.8
109.06535	0.5
109.10157	0.2
111.04427	0.4
115.05515	0.2
117.06989	0.4
119.08568	0.4
121.06513	2.3
123.04443	0.7
123.08092	1.1
124.03966	100.0
125.04318	1.0
125.09612	0.2
127.03878	0.2
128.06271	0.3
129.07001	0.6
130.06548	0.4
131.04939	2.8
131.08606	1.3
133.06528	0.6
133.10146	0.5
135.08067	0.6
137.02376	0.3
137.06010	0.3
137.09723	0.2
139.03874	0.2
140.03352	0.3
143.08568	0.3
145.04945	0.4
145.06396	0.3
145.10103	0.4
147.08081	0.7
147.11736	0.4
148.07619	0.5
149.09639	0.6
151.07545	0.7
153.01845	1.6
156.09363	0.3
157.10139	0.3
159.08081	1.5
163.07520	0.6
165.09105	0.3
171.08098	0.2
171.11714	0.4
173.13210	0.3
175.07610	1.3
175.11165	0.4
176.07074	0.4
177.09129	2.0
179.62743	0.3
181.08621	0.2
187.07564	1.6
189.12769	0.5
193.08618	3.3
199.11234	0.6
205.08620	2.5
205.12146	0.3
209.04414	0.3
216.11359	0.6
217.12268	1.8
223.09735	0.6
227.10568	0.3
229.04950	0.4
233.06082	0.2
233.11754	0.7
235.13286	1.4
237.05467	0.3
241.10742	0.4
245.11835	1.2
251.07088	0.5
263.12790	2.0
269.13959	0.3
281.13907	0.8
303.05063	3.3
318.06900	0.2
336.26089	0.3
363.09378	0.2
391.08310	0.2
415.08249	0.4
433.09317	0.4
463.96725	0.9
464.19217	13.7
464.30322	2.0
465.11847	0.3
465.19299	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3785
Annotation	CHEBI:70526
Peak:m/z	Relative Intensity
55.01874	7.3
55.05513	36.4
57.07076	50.5
67.05511	30.1
69.07074	75.9
71.08631	36.6
71.14746	6.1
79.05500	25.2
81.07067	55.3
83.04990	14.8
83.08639	41.9
85.10184	19.4
91.05480	18.6
93.07068	31.4
95.08633	55.7
97.10191	33.0
105.07057	21.6
107.08610	39.4
109.06532	18.8
109.10165	26.6
111.11755	18.6
119.08578	25.7
121.10188	35.4
123.08083	13.0
123.11719	13.3
125.06040	9.6
131.08603	15.4
133.10130	19.7
135.04984	6.1
135.11754	16.1
137.05952	42.4
139.07527	49.6
145.10132	10.2
147.11684	14.1
149.09702	8.6
149.13219	6.9
151.07571	15.0
157.10107	10.4
159.11732	11.4
161.13255	9.9
163.11179	7.0
165.09123	7.0
167.07062	37.1
171.11671	6.9
175.14847	7.8
177.09116	24.3
179.07071	36.4
197.08104	8.5
274.59854	6.5
403.35690	23.8
417.37515	24.5
427.17722	7.7
427.35400	32.1
445.36871	100.0
446.36823	9.5
463.36096	32.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3786
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28250	3.6
55.05515	46.5
57.07079	63.5
67.05507	18.7
69.03423	4.7
69.07070	100.0
70.08844	7.4
70.09256	14.7
71.04982	5.2
71.08638	46.9
74.30959	4.2
79.05510	22.4
81.07062	57.4
83.04968	7.2
83.08218	4.6
83.08626	49.7
85.10194	29.8
85.81449	4.2
91.05476	24.4
93.07044	34.0
95.08614	57.4
97.06552	4.0
97.10175	48.0
105.07049	40.8
107.08604	57.6
109.06537	18.9
109.10167	33.7
111.08057	19.7
111.11727	30.6
117.07020	8.0
119.08583	41.0
121.06532	8.4
121.10173	21.8
123.08070	24.7
123.11693	17.3
125.05984	13.8
125.13257	13.7
129.06966	3.7
131.08566	15.0
133.06465	4.0
133.10141	28.3
135.08066	37.6
135.11700	14.7
137.05992	7.7
137.09621	14.5
137.13248	10.2
139.07571	9.2
141.09125	4.9
143.08612	4.4
145.10146	16.3
147.08066	9.2
147.11682	25.6
149.09602	11.7
149.13309	11.6
151.07585	18.8
157.10124	10.1
159.08086	4.7
159.11707	17.7
161.09663	10.5
161.13300	33.5
163.07486	5.1
163.11107	4.5
163.14833	6.5
165.09151	5.4
165.12741	6.6
167.07060	16.2
169.08652	8.3
171.11658	10.6
173.13274	11.8
175.07712	5.7
175.11127	11.3
175.14870	10.7
177.09094	10.7
177.12764	6.1
179.07129	5.9
179.10701	7.9
181.08611	23.5
185.09683	4.3
185.13300	9.7
187.14818	9.6
189.12747	15.4
189.16461	5.2
191.14238	8.1
193.08586	6.2
203.10631	7.2
203.14339	13.2
203.17938	5.2
216.02692	4.3
217.12187	4.8
217.15916	4.8
221.11696	7.0
231.13780	8.0
235.13251	7.1
237.14789	6.9
245.15430	5.0
245.19203	3.9
249.14923	9.9
263.16348	7.6
277.17819	6.7
291.19662	5.4
301.21860	4.7
305.21158	7.8
307.30035	7.0
319.22714	8.9
333.24429	4.3
347.25668	5.1
357.35025	34.4
361.27213	7.7
375.36163	17.2
385.34589	8.1
389.30515	6.0
399.36270	28.2
401.37711	4.1
403.35550	6.8
417.37283	22.3
427.35715	32.7
445.36835	65.2
463.37338	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	463.3785
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	4.2
55.01863	5.2
55.05516	39.5
57.07078	56.5
67.05514	15.7
69.07071	57.8
69.70857	5.6
69.71266	12.7
71.04998	48.7
71.08636	36.8
75.14834	2.6
79.05500	6.9
81.07063	40.9
83.08620	37.0
85.10191	20.9
85.92121	2.8
91.05486	7.2
93.07043	11.2
95.08607	33.6
95.72643	2.5
97.06535	7.0
97.10162	35.7
99.04476	16.8
99.11752	4.0
105.07048	5.4
107.08616	11.1
109.06499	13.2
109.10149	28.9
111.08054	5.7
111.11723	25.0
119.08611	6.9
121.10122	5.1
123.08029	6.6
123.11709	16.7
125.05999	100.0
125.13257	13.3
127.03921	52.9
131.08595	3.7
133.10097	5.1
135.08032	5.0
137.05983	59.2
137.09634	3.9
137.13226	6.8
139.07527	13.7
139.14792	3.3
144.11749	2.6
149.05923	4.2
149.09616	6.1
151.07578	14.5
153.16371	3.2
157.10107	3.3
159.11684	4.5
161.09605	6.6
161.13303	4.8
163.11203	3.0
165.05524	4.1
165.09068	4.1
165.16444	5.1
167.07043	45.7
171.11769	4.7
175.11218	4.9
177.09109	34.8
179.07060	10.5
189.12758	4.8
193.08659	3.7
213.12730	5.4
219.13855	4.2
221.43552	3.3
231.13806	4.0
385.34741	6.7
399.36118	8.6
403.35770	39.0
417.37268	9.8
427.35614	6.7
445.36813	23.1
463.37158	6.4
465.59506	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3784
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09604	1.2
50.82195	1.2
53.03936	2.8
55.01857	1.6
55.05515	25.5
55.30804	1.3
57.06800	1.7
57.07079	39.7
67.05507	13.6
69.07073	50.5
69.85958	6.6
71.04998	49.2
71.08634	35.8
79.05470	4.6
80.46912	1.3
81.07053	35.6
83.08621	36.6
83.09116	1.7
85.10189	20.0
91.05485	2.0
93.07048	3.9
95.08613	34.8
97.06525	5.2
97.10175	33.6
98.96436	1.4
99.04456	21.7
99.11714	3.2
105.07030	5.0
107.04932	3.3
107.08597	6.1
109.06510	9.2
109.10162	24.5
111.04424	2.1
111.08058	2.1
111.11726	19.2
113.13315	1.3
117.07020	1.8
119.08578	4.5
121.10120	2.9
123.08054	1.7
123.11726	16.1
125.06000	100.0
125.13306	10.7
127.03926	51.5
127.07561	2.9
127.14909	1.3
133.10100	2.7
135.08080	2.0
135.11719	1.9
137.05989	48.4
137.13297	6.5
139.07518	2.2
139.14836	3.3
143.08623	1.3
145.05006	1.6
147.11707	3.2
149.05952	3.4
151.07541	3.1
151.14830	3.1
156.09262	2.0
157.10175	3.0
159.11723	3.0
161.09624	5.4
161.13301	4.8
161.92763	1.2
165.09140	2.6
165.16406	2.5
167.07062	36.3
171.11661	3.1
175.11197	5.9
177.12828	1.6
179.07047	4.0
189.12772	3.8
203.14246	2.5
207.13760	2.4
213.12729	6.3
219.13818	1.5
250.36298	1.4
285.82550	1.3
319.33658	1.8
337.34552	1.9
338.25534	1.6
385.34546	4.6
386.86859	1.5
399.36127	4.4
403.35687	31.0
445.36929	3.6
462.96487	1.5
463.37820	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3786
Annotation	Sarcophyton polyhydroxysterol
Peak:m/z	Relative Intensity
50.00234	1.3
53.03947	1.5
55.01864	2.2
55.05511	16.3
57.07078	34.3
66.11514	1.1
67.02566	1.1
67.05502	7.4
69.07073	25.2
71.08635	25.2
71.30621	2.2
72.01061	1.2
79.05476	7.0
81.07063	22.3
83.04995	2.2
83.08630	14.9
83.65099	1.3
85.10189	12.7
86.85004	1.3
91.05497	4.4
93.07044	7.8
95.05000	1.9
95.08614	15.7
97.02895	2.8
97.06551	2.4
97.09623	1.6
97.10179	10.7
99.04462	4.4
100.51038	1.3
105.07034	5.7
107.08597	6.0
109.06523	15.3
109.10168	8.9
111.08083	3.0
111.11723	6.2
113.13342	1.3
117.07076	2.1
119.08584	4.7
121.06448	1.7
121.10161	5.6
123.08073	10.2
123.11709	4.3
125.06004	15.5
125.08088	1.2
125.09621	1.9
125.13321	2.1
126.31316	1.4
127.07561	37.9
131.08586	3.0
133.10146	2.6
135.08078	3.9
135.11739	2.7
137.05074	1.5
137.05981	7.8
137.09621	4.1
137.13258	1.6
139.07549	100.0
140.08092	1.4
147.11655	2.9
149.05989	3.8
149.09642	3.4
149.13306	2.3
151.07550	10.8
151.11232	2.8
159.11664	2.2
161.09674	1.3
161.13266	2.1
163.11197	1.2
165.09158	3.7
167.07092	4.7
169.08682	2.0
173.13434	1.7
175.14766	1.4
177.09088	13.1
179.10696	2.4
183.57924	1.3
185.13304	1.7
185.65419	1.2
187.11278	1.8
189.12750	2.2
191.10497	2.0
195.10228	1.7
203.14310	1.5
207.13808	2.9
217.15933	1.3
223.13229	1.4
249.14885	2.6
249.18925	1.5
263.20129	1.8
301.28943	5.4
319.29941	11.1
320.89951	1.6
347.33099	14.6
361.26855	1.5
373.31073	3.6
385.34753	1.7
389.37592	1.7
399.36276	3.2
403.35501	2.9
417.37262	18.0
427.35623	5.2
445.30560	2.9
445.36783	53.4
463.37881	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	463.3058
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23099	3.4
53.03959	3.4
55.01864	3.9
55.05525	24.5
57.03441	7.1
65.03966	6.2
67.05508	69.2
67.61911	3.3
69.07082	26.8
69.74438	7.7
69.74848	14.8
71.05000	4.9
79.05507	54.0
81.03426	8.3
81.07066	100.0
83.04980	9.9
83.08630	14.9
84.08138	4.6
87.51186	3.7
91.05492	28.6
93.07053	63.6
95.04988	9.8
95.08615	34.2
97.06542	16.7
98.20832	4.0
105.04529	4.4
105.07052	22.0
107.08596	42.3
109.06531	4.3
109.10160	7.2
111.08092	7.6
117.07037	15.4
119.08602	12.8
121.06561	4.1
121.10188	26.9
123.11719	7.6
131.04916	7.7
131.08592	12.5
133.10120	17.5
135.08104	5.4
135.11694	20.5
136.65970	3.6
145.10184	4.8
147.11650	6.1
149.09569	3.6
149.13240	37.3
159.11687	18.2
169.10129	5.1
177.12738	8.2
195.13857	24.3
295.45547	4.2
353.24783	3.5
371.25674	7.4
389.26382	5.9
453.91672	3.6
463.30518	63.7
463.96704	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	463.3784
Annotation	Sarcophyton polyhydroxysterol
Peak:m/z	Relative Intensity
55.01859	1.2
55.05511	13.3
56.89730	1.2
57.07079	32.6
61.75348	1.2
62.46083	1.2
67.05523	6.0
67.92009	1.0
69.06735	1.9
69.07072	23.8
69.66287	1.2
70.75794	3.0
70.76151	1.4
71.08633	25.8
79.05495	4.7
81.07058	22.1
83.08625	14.4
85.10188	12.7
85.40971	1.3
91.05482	4.1
93.07057	7.4
94.29149	1.2
95.08607	15.3
97.02889	2.3
97.06522	4.5
97.10166	10.5
99.04480	3.6
99.11739	1.7
105.07041	7.1
107.08591	4.8
109.06526	13.1
109.10158	7.7
111.11742	6.3
113.13330	1.4
115.90870	1.4
119.08573	4.8
121.06524	2.9
121.10128	3.3
123.08076	11.7
123.11708	3.7
125.06016	12.2
125.09635	1.5
125.13238	1.8
127.06637	2.4
127.07560	45.9
131.08551	1.7
133.10097	2.6
135.08081	1.8
137.05948	3.8
137.09615	2.0
139.07545	100.0
145.10143	1.7
147.11707	2.6
149.05974	3.3
149.09624	2.0
151.07536	7.5
151.11215	2.0
161.09648	1.3
163.07523	2.5
163.11227	1.4
163.14702	1.9
165.09131	3.6
167.07036	5.5
175.11259	1.7
175.14857	1.8
177.09100	14.8
179.07060	1.4
189.12811	1.5
191.10783	1.4
195.10245	1.7
249.14867	2.0
261.18246	1.3
294.71140	1.1
301.28983	4.1
319.29977	11.0
334.25055	1.3
347.33084	20.9
373.30869	6.4
389.31061	1.4
399.36243	4.1
417.37335	14.5
427.35510	2.4
445.36810	42.2
446.36945	1.5
463.37888	31.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3061
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38800	1.1
53.51429	1.1
55.05501	4.9
57.07075	3.7
59.67199	0.9
61.68719	1.1
62.71577	1.1
65.92246	1.2
66.44617	1.0
67.05514	9.0
69.07073	7.8
69.15063	1.7
69.15459	11.1
71.04964	2.1
71.08642	1.6
73.66162	1.0
74.84045	1.0
76.64379	1.1
79.05504	7.7
81.07075	13.7
83.04987	1.3
83.08618	4.5
85.06543	2.2
91.05508	7.4
92.30483	1.1
93.07047	10.1
93.82553	1.2
95.08618	11.2
97.06542	2.1
97.10173	1.3
99.08094	1.6
99.45194	1.1
105.07061	6.0
107.04962	1.3
107.08614	8.2
109.06533	17.4
109.10163	4.7
111.08112	2.3
117.07023	3.0
119.08591	7.2
121.10148	5.6
122.07233	1.8
123.08087	69.5
123.11655	2.3
129.07001	1.7
131.08586	4.4
133.10141	5.3
135.08099	1.9
135.11710	2.7
137.09618	3.5
137.13348	1.3
143.08586	2.7
145.10132	3.6
147.11710	4.3
149.09578	1.6
151.43820	1.1
157.10172	2.1
159.11705	3.6
161.13263	2.0
163.11249	1.1
165.12762	4.8
173.13237	1.6
179.14337	100.0
180.15083	7.8
193.15886	2.4
195.11342	1.4
275.20020	1.9
293.21149	41.9
304.78387	1.1
307.22626	1.4
331.26285	1.4
349.27420	85.1
350.28201	20.5
351.28998	11.9
353.24966	2.0
371.25766	2.7
389.27063	3.1
445.29611	6.1
463.30582	43.5
463.96939	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	463.3059
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	1.2
53.03937	5.9
55.01864	3.7
55.05515	18.4
55.09024	1.3
57.03437	6.3
57.07061	4.2
62.10009	1.2
65.03930	5.3
67.05508	83.4
69.07069	31.9
69.53674	3.9
69.54099	4.8
71.04994	6.7
76.73481	1.3
79.05495	56.4
81.03415	3.4
81.07059	100.0
83.04977	9.2
83.08630	17.0
85.06551	6.8
91.05479	28.9
93.07048	77.4
95.04971	6.7
95.08611	26.3
97.06531	14.0
97.10165	3.2
99.08072	3.7
105.04484	1.6
105.07060	12.2
107.08598	43.7
109.06510	3.6
109.10140	6.7
111.08090	9.7
117.07024	11.0
119.08573	4.0
121.06548	2.4
121.10140	24.9
123.08124	2.2
123.11724	2.9
125.09642	1.7
131.08565	14.2
133.10120	11.5
135.08092	2.2
135.11720	9.7
139.11148	2.5
145.10141	1.8
147.11699	3.5
149.09605	2.3
149.13272	49.6
157.10056	1.5
159.11697	20.0
173.79778	1.4
177.12733	10.9
189.94411	1.3
195.13774	15.6
213.14874	1.6
248.20567	1.4
269.17429	1.6
317.06741	2.6
380.08212	1.4
463.30582	63.7
463.96738	6.9
464.31277	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3059
Annotation	Verbacine
Peak:m/z	Relative Intensity
53.03939	5.7
55.01868	3.1
55.05517	19.5
57.03433	4.9
57.07076	3.2
65.03931	4.8
67.05510	85.6
69.07071	25.0
70.56324	4.0
71.04993	5.2
79.05499	56.8
81.03402	3.8
81.07062	100.0
83.04990	6.7
83.08626	19.1
85.06530	5.7
87.35393	1.4
88.60030	1.8
91.05486	33.3
93.07051	68.7
95.04972	8.7
95.08614	28.9
97.06534	11.5
97.10149	2.6
99.08090	3.5
105.04513	2.4
105.07045	16.6
107.08601	41.3
109.06551	2.9
109.10149	5.8
111.08095	9.3
117.07037	10.7
119.08575	6.7
121.06515	2.8
121.10154	20.6
121.30045	1.7
123.08058	2.0
123.11732	3.2
129.07030	3.3
131.08577	15.6
133.10144	17.4
135.08078	2.8
135.11696	15.4
143.08586	1.8
145.10187	3.3
147.11693	3.0
149.09641	2.1
149.13275	41.1
151.11214	2.2
153.10474	1.6
157.10168	3.7
159.11719	17.7
173.13269	1.9
177.12729	10.3
195.13820	23.3
213.14972	3.1
335.23904	2.1
353.24899	2.9
365.69891	1.4
371.26038	3.2
389.26907	2.5
443.39471	1.4
445.29651	4.4
463.30615	75.0
463.96719	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	463.3056
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.0
53.05865	0.7
55.01867	1.0
55.05503	3.3
57.07065	2.0
67.05520	4.4
69.07075	4.4
69.15150	5.7
69.15576	3.6
71.08638	1.2
79.05502	4.3
81.07063	8.5
83.04948	1.0
83.08619	2.3
85.06557	1.6
91.05466	2.2
91.73796	0.9
93.07058	5.1
95.04948	1.1
95.08604	6.5
97.10146	0.9
98.20731	1.9
99.08073	1.3
103.60588	0.9
105.07024	3.0
107.08593	4.9
109.06535	12.0
109.10149	3.4
111.08070	1.9
113.02356	2.8
119.08585	4.1
121.10123	4.1
122.07345	1.5
123.08078	49.9
123.11740	0.9
133.10124	2.6
135.08044	1.7
135.11671	2.4
137.09657	3.5
145.10127	1.9
147.11740	1.1
149.13246	1.7
149.40524	0.8
159.11810	1.5
161.13242	1.4
165.12750	1.3
167.14281	1.0
173.13220	1.2
179.14322	100.0
180.14694	1.2
185.96541	1.0
193.15793	1.9
233.19104	1.1
275.20053	1.5
293.21124	30.9
294.21768	1.5
331.26199	1.7
349.27399	83.7
350.28116	14.5
351.29004	15.5
371.25650	1.8
432.15604	0.9
445.29300	3.2
463.30588	22.2
463.96747	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	463.3063
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	8.9
55.01871	4.6
55.05272	2.2
55.05522	28.9
57.03453	11.2
57.07083	3.4
65.03951	3.5
67.05513	78.5
69.03428	2.7
69.07083	30.9
71.05003	5.1
72.36046	2.2
78.09163	1.9
79.05505	78.4
81.03451	4.7
81.07067	89.9
83.04980	8.4
83.08615	15.6
85.06561	5.1
87.06987	2.0
91.04918	4.8
91.05493	100.0
93.06486	4.4
93.07057	72.5
95.04984	10.9
95.08617	48.8
97.06527	9.3
97.10181	5.3
98.20817	4.6
99.08112	4.1
103.05460	6.2
105.04513	4.1
105.07043	90.8
107.04967	8.8
107.08611	35.8
109.06529	9.5
109.10175	20.7
111.08094	6.4
115.05466	7.0
116.06271	4.3
117.06242	2.9
117.07047	45.4
119.08595	57.8
121.06530	9.8
121.10155	27.6
123.08070	5.5
123.11705	3.1
125.09662	3.8
128.06230	5.9
129.07022	31.5
130.07794	4.0
131.08592	70.0
133.06468	6.5
133.10147	32.4
135.08081	7.0
135.11694	12.1
137.09674	3.0
141.07008	10.7
142.07739	5.1
143.08589	33.8
145.06519	4.8
145.10146	39.6
147.08075	9.5
147.11697	11.0
149.09625	7.6
149.13290	7.5
151.11159	2.9
155.08577	15.9
157.06508	2.7
157.10155	23.2
159.08101	5.2
159.11703	18.6
161.09619	6.1
163.11153	4.4
163.14780	2.7
167.08621	6.3
169.10173	15.4
171.08076	2.9
171.11708	13.6
173.11868	2.6
173.13280	9.3
175.11232	4.2
177.12703	2.5
181.10115	8.9
183.11739	10.3
185.13307	8.1
187.11150	4.8
187.14853	5.5
189.12796	2.9
195.11661	10.4
195.13521	3.2
197.13266	10.0
199.14861	4.2
201.12804	4.2
201.16446	2.9
203.14409	3.1
209.13321	6.4
211.14836	7.8
213.12833	5.1
219.13748	2.8
223.14806	5.5
225.16330	2.5
227.14297	4.0
229.16106	2.5
233.15413	4.0
235.16905	2.6
239.18221	2.3
241.15935	4.3
243.17441	3.1
245.15343	4.5
247.17007	8.1
259.16980	7.0
261.18488	3.0
269.18954	2.9
273.18475	5.0
297.22266	2.4
317.22647	2.1
325.25272	10.9
335.23761	11.0
343.26489	16.3
349.81677	2.3
353.24820	45.0
371.25824	55.1
389.26929	51.3
427.28595	6.0
445.29572	69.4
446.30038	3.0
463.30472	54.9
463.96817	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	463.3059
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70968	2.1
53.03934	9.0
55.01859	5.9
55.05275	2.2
55.05514	29.4
57.03433	11.0
57.07069	2.5
65.03934	5.8
67.05508	89.6
69.07075	27.8
69.34730	7.2
69.35152	10.6
71.04968	5.8
73.06509	2.2
75.49509	2.3
79.05496	67.9
81.03423	4.3
81.07063	100.0
83.04972	6.9
83.08620	16.9
83.88246	2.1
85.06535	7.6
88.34798	2.2
91.04916	2.6
91.05485	77.8
93.07048	78.0
95.04994	11.4
95.08611	48.4
96.30426	2.1
97.06557	12.7
97.10172	6.4
99.08072	3.0
103.05514	4.7
105.04534	3.4
105.07037	68.4
107.04951	5.7
107.08598	40.3
109.06524	6.3
109.09612	1.8
109.10181	18.1
111.08077	8.4
115.05455	6.1
116.06190	3.5
117.07034	34.7
119.08588	47.3
121.06495	8.1
121.10149	22.6
123.08073	6.1
123.11729	4.5
128.06209	5.0
129.07013	20.2
131.08565	50.8
133.06458	4.5
133.10144	31.1
135.08038	7.8
135.11717	10.8
137.09691	2.7
139.11182	2.8
141.07005	11.9
143.08574	23.5
145.06479	3.5
145.10107	30.4
147.08011	7.5
147.11690	7.9
149.09631	5.5
149.13278	17.6
151.11188	2.5
155.08563	9.6
155.24095	2.5
157.10136	14.1
159.11705	22.7
161.09651	2.9
161.13202	3.5
162.10100	2.3
165.28529	1.9
167.08540	4.5
169.10124	8.3
171.08052	2.6
171.11714	12.0
173.09689	2.8
173.13313	5.0
175.11237	2.6
177.12697	6.2
181.10107	6.6
183.11697	7.3
185.13246	6.4
187.11192	2.4
187.14850	4.3
191.21207	2.2
195.11766	3.9
195.13792	10.2
197.13347	5.8
199.14816	3.1
203.91183	2.2
209.13348	5.5
211.14813	4.9
217.15863	3.5
225.16418	4.6
227.14258	3.7
229.15907	3.0
233.15361	5.3
235.14853	2.5
237.16435	2.5
241.15936	3.4
247.16936	5.4
259.17142	3.1
261.18530	4.5
273.18250	2.4
317.06525	2.5
325.25241	8.1
335.23694	6.3
343.26398	11.2
353.24802	34.5
368.19220	2.3
371.25858	32.4
389.26950	36.7
407.27756	2.5
427.28357	5.1
445.29596	50.2
463.30704	64.3
463.96756	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	463.1238
Annotation	6-Methoxykaempferol 3-rhamnoside
Peak:m/z	Relative Intensity
65.03961	0.2
67.05534	0.1
68.99845	0.1
69.36752	0.6
69.37176	0.2
71.05009	0.3
85.02890	0.6
91.05502	0.1
92.02639	1.0
93.03399	1.2
98.21463	0.2
99.82619	0.1
109.02966	0.1
111.00832	0.2
119.08585	0.1
121.02872	1.1
126.03119	0.5
131.08611	0.2
133.02861	0.2
135.04408	0.2
137.02315	0.2
137.06010	0.3
139.03909	1.1
139.43541	0.1
145.06523	0.1
147.04436	0.1
151.03897	0.8
153.01833	7.9
154.02258	0.1
163.03979	0.2
165.01816	0.5
166.02541	0.2
177.05528	0.3
183.02995	0.2
190.06340	0.1
200.04770	0.3
201.05519	0.8
203.03456	0.4
217.04968	0.9
218.05821	0.7
219.02882	0.2
228.04164	1.7
229.04982	3.5
231.02910	0.5
239.03500	0.1
243.06505	0.2
245.04462	1.4
246.05247	2.0
255.11255	0.1
256.03644	0.3
257.04459	2.8
258.05005	0.1
260.03241	0.5
261.07440	0.2
271.05969	0.2
273.03958	1.9
274.01700	0.2
274.04736	4.8
284.03189	0.6
285.03943	4.8
286.04614	0.3
287.02045	0.1
288.06265	0.2
301.03384	0.4
302.04230	14.1
303.04672	0.3
317.06567	100.0
318.06909	2.5
463.12152	0.2
463.17703	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93816	1.2
54.47803	1.1
56.96573	10.6
57.03427	1.9
61.02917	1.9
69.03419	4.0
69.44389	8.0
71.01350	1.7
71.04992	1.0
71.95270	1.4
73.02905	2.2
77.40128	1.2
84.96044	1.8
85.02921	7.8
94.06612	1.2
95.33692	1.0
97.02920	5.8
98.21494	2.0
98.97591	100.0
100.50026	1.2
100.99188	1.5
101.00890	3.9
106.05070	1.8
110.97591	3.9
111.02125	1.1
112.39684	1.2
112.99154	5.4
113.00883	1.1
115.02418	1.1
116.98636	21.9
119.01888	2.7
124.99114	6.4
127.03910	3.1
128.98621	4.1
131.00148	5.3
131.01906	2.9
134.99675	3.8
137.05969	1.5
141.06599	1.1
143.00174	8.2
143.01923	3.5
145.03487	2.2
145.04932	1.8
146.99687	2.4
149.01213	4.7
155.00145	3.7
155.01978	1.4
157.03502	2.2
158.99693	5.0
161.01202	19.8
167.07129	1.3
171.05185	1.3
173.01205	7.3
173.02711	1.2
177.00722	2.5
179.02293	36.5
180.97491	2.3
185.03020	2.1
189.06163	1.3
191.02267	3.5
196.65048	1.2
197.03342	12.5
198.98508	8.6
209.01134	1.2
219.01849	1.5
221.03311	14.3
221.05153	1.4
232.03351	2.4
239.04401	49.2
239.06836	2.7
240.99565	2.3
245.05109	2.0
257.05386	5.1
281.05463	38.0
283.00757	1.4
301.01743	3.1
321.10175	1.7
372.11600	1.4
403.11261	84.3
463.11951	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	463.3059
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03962	8.5
55.01870	10.0
55.05522	36.5
57.03435	13.6
57.07071	4.5
63.41138	4.8
65.03941	8.6
67.05172	8.3
67.05510	83.4
69.07085	31.5
71.02602	9.8
71.05019	8.5
74.51222	4.9
79.05501	80.6
81.07067	99.1
83.04992	9.7
83.08617	25.5
84.04495	9.7
85.03646	5.3
89.18714	4.2
91.05486	100.0
91.06026	8.8
93.07050	87.5
95.04968	16.9
95.08606	63.8
95.79567	4.7
97.06540	11.9
97.10166	9.7
105.07044	85.4
107.04980	9.5
107.08603	44.2
109.06504	13.3
109.10160	18.1
111.08112	10.4
117.07024	50.9
119.08591	53.2
121.06512	9.5
121.10165	31.5
123.08080	9.5
128.06270	6.0
129.07025	26.5
129.69524	6.3
131.08578	79.0
133.06483	5.8
133.10133	37.6
135.08040	7.0
135.11694	12.9
137.09625	5.9
141.06990	11.5
143.08589	23.5
144.25711	5.8
145.10120	41.6
147.08075	5.9
147.11742	10.1
149.09630	11.2
149.13268	15.1
155.08607	14.3
157.10143	16.3
159.11700	28.4
161.09712	6.5
169.10181	14.6
171.11749	15.5
173.09628	8.1
173.13368	7.7
177.12677	7.5
181.10167	14.5
183.11739	8.9
185.13295	8.4
187.14897	6.0
195.11745	9.3
195.13853	6.9
197.13335	12.6
209.13370	7.2
211.14827	7.0
225.16461	8.6
227.14276	6.5
233.15408	6.4
272.27774	5.0
273.18597	6.8
335.23618	15.5
343.26379	19.2
353.24719	54.0
371.25812	57.8
389.26855	56.0
396.37711	6.6
445.29596	66.1
463.30771	67.0
463.96744	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	463.124
Annotation	Isorhamnetin 3-rhamnoside
Peak:m/z	Relative Intensity
51.45401	1.1
57.03426	3.4
65.03963	0.9
67.05495	1.0
69.03427	2.4
71.05003	27.4
71.31580	1.5
73.02926	1.1
79.05526	1.0
81.03393	0.9
81.07038	1.2
83.04961	1.3
85.02911	25.3
91.05460	2.0
92.02615	0.9
93.07064	1.3
95.08609	2.0
97.02845	0.9
103.05475	1.0
105.07009	1.3
107.08625	1.2
111.04472	1.1
119.08570	1.2
123.04366	0.8
129.05493	4.7
131.04919	2.2
131.08623	1.1
133.10138	1.1
134.10455	1.1
137.05942	1.3
139.03885	1.5
142.34850	0.9
145.06705	0.8
145.10043	0.9
147.04424	3.3
151.03894	1.5
153.01830	9.6
155.04845	0.8
165.01988	1.1
168.38684	0.8
180.51498	0.8
189.05374	0.9
199.28674	0.9
201.05444	1.4
229.05035	4.0
245.04413	1.4
246.05197	1.9
257.04510	2.7
264.94824	0.9
273.04092	1.6
274.04736	4.4
285.04028	4.2
287.05365	1.1
301.07336	1.1
301.11688	1.2
302.04300	12.7
317.06589	100.0
318.06839	1.8
359.07574	1.4
401.92963	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1237
Annotation	6-Methoxykaempferol 3-rhamnoside
Peak:m/z	Relative Intensity
59.77788	0.1
65.03937	0.3
65.43928	0.1
68.99791	0.2
69.03409	0.1
69.67976	0.4
69.68401	0.4
71.04983	0.4
75.32411	0.1
78.21208	0.1
85.02933	0.3
92.02634	1.3
93.03408	1.4
98.21456	0.2
107.12730	0.1
116.18591	0.1
121.02891	1.4
122.03609	0.1
126.03121	0.4
129.05417	0.2
137.02336	0.3
139.03888	1.0
145.06499	0.2
149.02359	0.2
151.03951	0.7
153.01833	9.5
154.02136	0.2
163.03894	0.2
165.01820	0.9
166.02614	0.2
173.06026	0.2
177.05525	0.3
183.02917	0.3
191.76291	0.1
200.04709	0.3
201.05476	1.0
203.03409	0.5
217.04980	1.1
218.05777	0.8
219.02908	0.3
228.04189	2.0
229.04976	3.8
231.02939	0.5
241.46381	0.1
243.06416	0.2
245.04480	1.5
246.05263	2.3
256.03723	0.3
257.04474	3.4
260.03241	0.5
261.07581	0.3
271.06076	0.4
273.03976	2.6
274.04733	4.9
284.03314	0.7
285.00818	0.3
285.03955	5.1
286.04578	0.3
288.06329	0.2
301.03503	0.2
302.04224	14.6
303.04565	0.4
315.04861	0.2
316.05658	0.1
317.06561	100.0
318.06924	2.4
383.08252	0.2
436.95187	0.2
463.12384	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03963	0.6
61.02937	1.3
64.24097	0.8
65.40625	0.6
69.03432	2.5
70.76266	1.1
70.76579	0.8
72.08166	0.9
73.06562	0.6
81.03441	1.2
82.60860	0.6
85.02918	8.2
87.04468	1.8
89.06042	100.0
90.06387	0.8
91.00199	0.6
97.02911	2.6
107.07062	1.7
107.56788	0.6
109.02874	0.8
117.07014	0.7
121.02898	1.1
124.03977	0.9
127.03921	1.5
131.08580	0.6
133.08621	48.4
134.08897	0.6
136.07603	1.5
137.06056	0.6
147.04437	1.2
151.09657	1.0
177.09111	0.9
177.09547	1.1
177.11252	18.6
177.12700	1.2
195.12321	3.1
221.13782	1.1
226.08890	0.6
239.14809	3.5
247.13327	1.3
265.10709	0.6
265.14279	1.4
282.13342	2.2
283.17548	96.2
284.18024	2.0
345.97607	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.0936
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	3.1
56.96564	15.9
57.03444	3.4
58.99861	3.0
60.04522	5.2
61.02929	4.3
69.03427	15.9
71.01362	3.7
71.50294	3.9
72.08145	2.2
72.41000	2.3
72.70948	2.1
73.02927	6.4
75.14218	2.9
81.03418	6.6
82.99851	5.0
84.96034	6.7
85.01418	12.2
85.02907	28.4
87.04449	7.5
90.89240	2.4
91.05501	3.2
97.02910	15.5
98.97585	31.6
99.04440	4.6
101.00886	46.2
101.41683	2.4
103.02460	22.2
106.05040	6.0
107.05447	2.8
109.02866	4.0
110.97560	13.4
111.02952	4.4
112.99141	3.4
113.00871	17.1
113.01546	2.6
113.02438	3.2
113.04482	5.6
115.02407	4.7
116.31046	2.2
116.98623	8.3
117.04003	7.8
119.01923	100.0
120.02034	3.5
121.03466	7.3
127.02408	16.4
127.03944	7.8
128.98608	11.6
129.03986	47.8
129.05453	3.2
131.00151	2.4
131.01907	46.5
131.05553	43.8
133.01723	3.4
133.03491	5.8
134.99677	3.6
135.05054	6.8
137.02992	12.8
137.05994	3.0
139.02406	10.0
143.00128	4.7
143.01881	6.6
144.98131	2.8
144.99811	4.6
145.03473	86.3
145.04773	4.6
145.04987	5.8
147.01398	3.2
147.03293	4.6
147.05077	70.5
149.02963	18.8
149.06613	45.3
153.04002	5.0
155.00197	3.5
155.01910	7.3
155.05487	6.8
156.97502	7.4
157.03474	63.8
158.99734	5.1
159.01407	4.7
159.05046	9.7
159.06439	4.0
161.01212	5.0
161.02968	9.9
161.06673	2.6
163.00891	10.1
163.04575	20.2
165.06110	7.0
167.01912	3.2
167.04063	11.3
170.99777	3.0
171.01401	6.9
171.03693	5.1
171.05032	52.7
173.01382	5.0
173.02933	37.8
173.05119	3.0
173.06599	55.1
173.08011	4.1
174.99205	3.4
175.02942	5.2
175.04526	78.7
177.00854	4.8
177.02426	2.4
177.05869	2.7
178.04915	2.8
179.02216	5.2
179.03958	3.6
180.97531	9.1
181.01961	3.1
183.05023	7.3
183.08708	9.3
185.02942	11.6
185.06578	16.4
186.99152	4.8
187.00761	3.0
187.04440	3.2
187.08067	2.8
189.00752	3.6
189.02415	6.1
189.06094	54.4
191.02396	3.7
191.04019	70.6
191.07593	11.8
192.04482	3.4
193.03818	3.9
193.05588	55.9
197.03105	7.9
198.98569	72.0
199.00705	5.0
199.04509	28.8
201.02429	3.7
201.06020	13.7
201.09706	34.9
203.02347	3.5
203.03987	17.0
203.07582	5.0
205.01944	6.3
205.03732	2.5
205.05655	3.0
209.02884	3.4
211.04570	5.3
211.06396	3.9
213.06210	5.7
215.04024	8.3
215.07555	3.0
215.11372	3.6
216.99620	11.5
217.01974	24.8
217.05574	99.6
218.05602	2.8
219.01819	5.8
219.05374	2.9
219.07202	15.9
221.03215	2.1
221.05093	34.1
223.06613	3.5
225.02527	3.2
225.09755	3.4
227.07683	6.0
228.99654	5.7
229.05585	6.4
229.09384	3.9
231.00084	3.1
231.07126	8.3
233.05161	6.5
235.02972	7.8
235.06651	17.0
237.02722	5.4
239.04294	14.5
240.07384	3.2
240.99670	12.9
241.05600	6.2
243.03552	41.4
243.05975	3.1
243.07156	6.2
243.10742	3.8
245.05098	13.3
245.08691	11.6
247.06700	14.3
247.10327	4.8
253.10258	4.0
257.05133	6.7
259.00732	6.7
259.06638	16.6
261.04642	45.2
261.08151	5.1
261.11957	3.3
263.09821	4.6
265.07739	6.7
269.08688	3.6
271.10468	2.7
273.08261	14.5
275.06155	3.5
279.05667	19.1
281.05560	3.2
283.00620	8.8
285.04517	10.7
287.09821	17.4
289.07645	28.6
291.09262	21.9
301.01575	21.0
303.05444	7.3
305.10858	5.6
307.08704	8.2
309.10303	9.2
315.05713	5.5
315.09232	55.6
319.02084	6.8
321.10205	3.2
329.10693	3.0
331.08740	9.8
333.06570	4.7
333.10181	33.8
345.05060	3.0
347.04541	17.6
357.10272	5.2
359.08350	9.8
377.09290	56.7
377.13971	3.2
401.09378	4.7
403.11359	9.6
412.07129	2.6
463.07257	2.3
463.11865	5.7
464.10599	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	461.363
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.8
54.49212	2.8
55.01880	6.4
55.05515	45.8
57.07083	62.0
67.05508	26.6
69.06737	5.4
69.07077	77.6
71.05001	16.5
71.08642	46.0
79.05497	21.2
81.06589	5.8
81.07065	100.0
83.04995	7.8
83.08631	55.1
85.10191	23.7
91.05482	38.4
92.05861	5.8
93.07043	25.7
95.04976	4.9
95.08614	73.9
97.06527	5.5
97.10165	39.2
99.04471	28.1
99.08100	3.1
101.66133	2.8
105.07030	15.7
107.08610	26.5
109.06555	14.9
109.10172	37.1
111.04440	6.1
111.08064	5.9
111.11735	23.1
117.07002	3.7
119.08582	12.0
121.10163	24.4
123.08132	5.3
123.11720	21.0
125.06017	14.3
125.09613	5.2
125.13290	10.2
127.03942	50.4
131.08546	6.2
133.10153	5.5
135.08040	4.5
135.11729	14.7
137.05988	80.1
137.13268	10.4
139.11249	4.3
140.27367	3.1
141.05460	12.5
145.10057	18.6
149.05975	5.8
149.09618	6.5
149.13281	11.4
151.07570	13.3
151.14833	7.2
153.05490	8.2
155.07021	8.8
157.10156	5.7
159.11713	16.3
163.14877	11.1
165.09106	4.0
167.07030	11.4
173.09647	23.3
175.11235	5.0
177.09052	5.4
179.06992	6.4
183.06555	61.3
187.11205	9.4
189.12886	4.3
191.10703	7.6
191.18037	5.0
205.12239	9.2
241.52832	3.5
277.29099	4.2
317.32141	3.4
335.33060	6.9
383.32965	5.4
397.34503	4.5
401.34244	82.4
419.35107	18.9
443.35196	7.6
461.36414	30.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.3628
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	3.5
55.01865	5.3
55.05518	49.7
56.08257	3.1
57.07082	60.8
61.83255	3.0
67.05505	27.4
69.06733	5.0
69.07077	64.5
71.04984	14.5
71.08636	52.1
71.51898	4.3
79.05509	21.1
81.07063	100.0
83.04977	6.3
83.08625	52.3
85.10194	20.9
89.63612	2.7
91.05484	29.8
92.05792	4.9
93.07048	26.4
94.82864	3.0
95.04940	5.7
95.08066	5.3
95.08620	59.8
97.10178	37.1
99.04457	25.2
105.07040	12.5
107.08570	17.9
109.06545	16.4
109.10162	36.1
111.04459	6.9
111.08057	4.1
111.11732	23.0
119.08613	7.9
121.10164	27.9
123.11724	19.2
125.05987	14.4
125.13295	6.9
127.03918	44.9
131.08566	8.6
133.10141	4.7
135.08061	10.5
135.11690	13.1
137.05991	78.9
137.13266	7.6
139.07599	3.1
139.11162	4.4
141.05455	11.6
145.10115	11.4
147.11668	3.6
149.09634	7.8
149.13246	14.6
151.07530	13.6
151.14818	4.4
153.05447	8.6
155.07076	9.3
155.08449	3.5
159.08098	4.7
159.11705	13.0
161.09706	3.9
163.14812	7.9
165.16359	3.7
167.06975	7.5
173.09633	31.0
174.93857	3.2
175.11272	5.4
175.14996	3.9
177.16487	3.3
179.07063	4.8
183.05110	4.7
183.06548	51.5
187.11166	8.8
189.09042	4.8
191.10670	10.3
191.17911	4.0
192.38049	3.2
193.08638	6.3
201.12697	3.3
205.12291	8.7
219.13762	4.4
277.28793	3.7
287.17850	3.1
335.33069	12.4
383.33017	11.7
401.34192	78.2
415.35495	4.8
419.35156	21.9
443.35376	7.7
461.36053	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	462.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.1
55.05531	0.8
57.03425	1.8
60.38561	0.9
61.02919	1.4
62.44574	0.8
67.05497	2.7
69.03444	8.8
69.07054	1.7
71.04979	1.9
71.50975	1.3
73.02916	0.9
79.05487	1.2
79.73893	0.7
81.03409	2.8
81.07043	2.3
83.04969	2.6
85.02917	17.8
85.61209	0.8
91.05507	4.8
91.56905	0.8
93.05766	1.1
93.07050	1.8
94.06567	2.7
95.04981	2.9
97.02876	4.8
97.06527	2.4
99.04469	2.5
100.04018	0.8
105.07045	1.8
107.04942	0.9
108.08112	3.4
109.02899	1.9
109.06526	1.6
110.06039	3.8
119.04939	3.9
119.05685	0.8
119.08560	1.5
120.08124	1.9
121.06513	3.4
121.10087	0.9
122.06063	3.4
122.09634	0.8
124.07597	1.8
125.06013	5.9
127.03906	3.4
129.06999	1.2
130.99718	0.8
131.08562	1.8
132.08023	0.9
133.06493	1.3
134.09615	1.1
135.08049	1.0
136.07599	36.9
138.05527	1.2
140.07066	2.6
143.07007	3.1
143.08621	1.0
145.05003	1.5
145.10138	3.1
146.05939	1.1
146.09612	1.2
147.04431	17.0
148.07570	2.0
148.11194	4.6
150.05537	1.1
150.09169	1.2
152.07043	1.4
157.08902	1.1
157.10115	1.5
158.09648	1.6
159.08061	1.3
160.07581	2.3
164.07111	16.4
165.07831	1.8
166.08617	1.5
172.11223	2.5
173.09608	3.4
174.09140	4.4
176.10728	16.0
177.05406	1.1
177.09093	1.4
185.09653	0.9
186.09114	2.8
190.08591	0.9
190.12288	4.4
191.10739	1.2
192.13857	1.7
194.11781	2.0
197.89871	0.8
200.10751	3.6
201.09166	1.5
202.08667	6.4
202.12328	1.6
204.10245	13.4
218.11792	10.8
219.10214	2.9
220.13365	18.1
222.11261	6.4
228.10184	1.8
236.12741	0.9
238.14279	1.4
246.11319	14.8
247.09409	1.0
264.09637	1.6
264.12332	21.4
265.10632	2.7
282.13403	100.0
283.13788	2.6
289.10336	1.1
300.14435	14.2
301.06989	1.4
414.29462	0.9
459.19287	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2899
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.8
55.01871	6.6
55.05516	33.3
57.03432	10.7
57.19598	2.3
65.03939	6.1
67.05508	70.2
69.03430	6.6
69.07071	18.5
69.15135	8.7
69.15557	16.0
71.04985	6.4
71.23322	2.3
79.05499	49.2
80.07652	2.7
81.03422	71.5
81.06587	4.5
81.07059	74.1
83.04987	10.8
83.08614	20.8
83.16458	2.4
83.76422	2.2
85.06549	3.3
91.05489	59.8
93.07052	55.2
95.04971	36.6
95.08617	32.6
97.06548	9.2
97.10172	10.7
98.20704	5.3
99.82038	2.5
103.05466	3.4
105.04514	3.8
105.07043	38.0
107.04951	16.1
107.08606	36.7
108.25961	2.5
108.31882	2.9
109.06525	6.7
109.10168	10.9
111.08101	7.7
115.05462	3.0
117.07048	21.2
119.08605	22.8
121.06504	10.4
121.10150	21.1
123.08083	6.7
123.11691	2.6
125.09653	11.8
128.06239	5.2
129.07019	18.9
130.07861	2.6
131.04941	6.7
131.08589	29.9
133.06491	10.1
133.10120	14.7
135.08060	9.5
135.11743	9.1
137.09647	4.7
141.07053	2.9
142.07835	2.8
143.08586	9.4
145.06511	11.6
145.09087	2.4
145.10155	6.7
147.08070	7.7
147.11684	8.0
149.09645	6.8
149.13268	23.7
155.08563	4.1
157.10135	13.4
158.02527	2.4
159.08098	4.9
159.11705	12.2
161.09621	3.4
165.12868	3.1
169.10170	4.8
171.11743	5.1
173.13197	2.9
175.11215	9.2
177.12779	9.1
179.08655	2.3
185.13344	2.9
187.14854	2.6
189.11292	3.8
193.12254	30.7
195.13814	4.6
197.13300	3.2
199.11086	2.4
199.14743	3.9
201.12750	3.3
209.13332	3.0
215.14343	2.5
217.15767	5.4
231.13698	3.3
235.14798	3.8
275.16568	2.8
280.08652	2.4
309.19095	2.8
341.24823	3.8
343.22751	5.7
351.23178	10.9
369.24255	25.6
387.25262	10.5
405.26749	2.9
417.26352	8.7
443.27939	28.8
461.29025	100.0
461.35333	5.4
462.29370	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2901
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	10.8
55.01869	8.5
55.05512	42.9
57.03422	12.8
59.55704	6.4
67.05507	76.0
69.07065	38.5
69.84789	23.4
71.04994	11.2
79.05499	76.5
81.03418	7.9
81.07062	68.6
83.04967	7.2
83.08618	19.3
85.06530	8.1
91.05484	100.0
93.07043	90.7
95.04956	17.9
95.08083	6.5
95.08604	48.2
97.10165	12.6
103.05471	8.9
105.03330	5.4
105.07030	79.0
107.04951	12.1
107.08627	36.9
109.06522	10.9
109.10152	25.1
111.08086	10.0
115.05405	8.1
117.07040	49.9
119.08575	47.7
121.06525	14.1
121.10141	27.6
123.08079	10.0
125.09612	9.0
128.06207	16.8
129.07021	59.7
131.08563	55.1
133.06534	9.9
133.10147	26.5
135.08041	11.9
135.11691	13.2
141.07013	24.7
143.08565	49.8
145.06497	14.4
145.10115	25.6
147.08063	11.0
147.11716	10.7
149.09598	17.2
149.13252	12.3
151.11240	6.9
155.08545	36.1
157.10110	26.4
159.11702	19.3
161.13243	9.6
165.06961	6.1
167.08565	17.6
169.10120	30.1
171.11742	13.2
173.09555	6.3
173.13264	7.3
175.14816	7.6
177.12743	7.8
181.10085	14.6
183.11717	14.1
185.13292	9.6
187.11154	7.7
193.10281	6.3
195.11748	15.7
197.13257	10.2
209.13266	8.7
215.14398	9.8
221.13310	9.1
223.14925	11.0
223.31651	5.7
225.12798	8.3
231.13895	6.2
233.15469	6.4
253.15939	8.6
254.19531	6.6
257.15189	7.8
271.16833	11.2
273.18491	7.1
323.23547	7.6
333.22208	15.4
341.24844	16.7
351.23172	46.8
369.24170	40.8
387.25366	15.5
443.27924	62.3
461.28952	65.2
462.29514	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	461.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	5.6
55.05518	13.0
56.27445	3.9
56.36873	3.7
65.30642	3.5
67.05511	14.1
67.97856	3.3
69.03429	13.8
69.04874	3.7
69.07069	17.6
71.05001	3.8
72.08165	4.6
73.87389	3.7
79.05488	13.5
81.03423	14.5
81.07055	28.2
82.07392	4.8
82.81329	4.4
83.05004	6.2
83.08637	7.5
85.02917	23.9
85.06551	8.1
87.00843	10.0
89.92159	3.4
91.05492	8.6
93.07046	20.4
93.38984	3.8
95.04955	8.7
95.08618	45.0
97.02899	8.3
97.06522	4.7
97.10190	5.0
99.04481	4.0
99.08103	14.9
103.05459	8.0
105.01879	6.0
105.07040	16.7
107.04940	5.0
107.08588	35.2
109.02891	11.5
109.06545	5.2
109.10142	14.1
111.08070	11.5
119.04931	6.1
119.08607	9.1
120.61321	3.8
121.10159	39.4
122.10497	7.1
123.04503	11.2
123.08103	4.9
125.09622	4.8
127.03939	20.0
131.04991	10.1
131.08543	7.0
133.10144	13.2
133.97139	4.1
135.11699	13.9
137.06075	10.8
143.08641	4.9
145.05000	9.0
149.09567	5.0
149.13261	7.1
159.11697	5.5
161.09671	5.8
163.11208	4.0
165.09103	5.1
167.07071	15.5
177.16409	100.0
178.16701	9.9
195.17444	21.6
213.18533	26.4
231.04988	4.4
242.54549	4.4
271.43396	5.3
443.27634	5.2
476.70590	4.3
485.56631	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	460.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	12.9
54.05736	1.8
55.01891	10.5
55.05516	3.8
57.03436	7.5
59.46914	2.1
61.02925	7.1
67.05505	2.2
68.99787	4.4
69.03086	3.0
69.03438	40.0
69.07061	3.8
69.95815	2.0
69.96100	8.9
70.06598	2.1
71.04993	7.4
73.02921	10.6
79.05499	4.2
81.02985	3.4
81.03429	36.9
81.07037	3.9
83.04976	3.0
84.08164	2.6
85.02917	90.1
87.00840	36.4
91.03952	2.3
91.05498	9.0
93.07043	6.1
95.04992	6.2
95.08614	3.6
97.02908	44.4
97.06550	2.3
99.04469	15.9
103.05454	4.4
105.01878	25.7
105.07031	9.4
107.04970	56.9
107.08607	3.7
108.04470	11.1
109.02897	36.6
109.10132	2.3
109.29137	2.2
115.03991	2.5
115.05482	3.6
117.01862	3.7
117.07034	3.0
119.08585	3.0
121.10162	3.7
123.08080	2.4
125.06004	2.5
126.05516	5.7
127.03931	58.4
127.04826	3.7
129.01825	5.5
131.04959	4.7
131.08519	2.5
133.10167	2.1
135.08060	18.3
137.05963	2.2
139.07585	2.3
145.04977	24.1
145.10120	2.3
147.02864	3.1
151.07593	3.5
152.04599	1.8
159.02942	21.0
163.06160	2.8
163.07558	50.7
165.09114	5.4
167.07111	15.7
177.03831	1.8
187.07614	3.8
195.10193	100.0
207.10143	5.6
219.10043	2.3
230.06702	3.5
231.05009	7.6
248.07683	5.0
276.58929	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97071	1.2
53.03951	3.3
55.01884	3.0
57.03436	4.6
57.07091	9.7
60.62560	1.2
61.02938	9.7
63.04497	16.9
64.74957	1.0
68.17797	1.4
69.03442	16.0
70.54334	3.0
71.05010	2.5
72.08145	2.9
73.02928	4.6
79.05530	1.3
79.52249	1.3
81.03430	7.2
85.02917	100.0
86.09730	9.5
87.04474	2.1
91.03954	2.9
91.99279	1.2
97.02908	26.9
99.04482	2.9
105.03413	1.6
109.02928	7.4
110.88654	1.5
119.10709	78.4
127.03932	22.6
130.06516	1.5
134.04712	1.3
134.06017	2.3
145.04977	44.9
157.13435	1.5
158.06041	3.0
163.06039	18.3
173.12947	2.7
176.07089	8.4
182.05011	4.2
183.05270	2.3
185.13052	1.3
194.08148	15.2
201.12437	2.8
203.17566	1.3
204.06644	4.0
208.02928	4.3
209.03239	3.5
209.59671	1.3
222.07629	2.5
240.08769	3.9
252.12172	2.0
280.11850	2.5
298.12878	23.8
327.08719	2.2
328.08972	3.1
389.47958	1.3
444.96472	1.5
460.19440	1.6
489.65921	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	7.3
57.03438	15.0
59.04996	1.5
60.04524	1.3
61.02935	8.2
67.09325	1.5
69.03444	23.4
69.07064	1.5
70.30605	3.7
71.01348	3.9
72.08145	1.9
73.02928	55.0
74.09719	1.4
81.03422	4.3
85.02917	48.5
86.06059	1.5
86.09731	1.4
87.04479	3.7
91.03950	2.1
95.04982	1.5
97.02903	43.5
99.04448	2.8
103.03970	2.3
103.05482	23.0
105.03350	1.6
109.02907	4.9
115.03944	25.4
127.03934	16.6
131.04944	100.0
133.04979	25.2
144.06581	4.1
145.04976	23.7
149.06003	64.2
150.07620	2.9
162.07672	3.7
163.06064	5.8
166.08781	1.6
180.08665	5.5
198.72441	1.2
199.05991	2.7
223.06053	2.2
241.07140	6.1
259.08231	4.0
262.14670	1.8
263.09216	2.4
263.12946	2.3
294.11917	1.7
295.10449	2.0
313.70435	1.7
371.92999	1.6
483.44849	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	9.6
55.01885	8.4
57.03440	6.5
61.02933	6.4
65.03947	1.7
68.99786	4.3
69.03438	29.6
69.27715	10.8
71.04993	3.1
73.02923	7.6
79.05476	1.4
81.03426	29.7
85.02911	74.1
87.00835	30.9
91.03983	1.8
91.05478	3.2
97.02901	31.5
99.03928	1.5
99.04469	13.2
101.02299	1.3
103.05461	5.1
105.01878	25.1
105.07030	3.3
107.04977	8.9
108.04496	10.2
109.02887	28.0
115.03947	1.4
117.01849	4.9
119.08593	2.1
121.10180	1.2
126.05508	5.4
127.03928	52.1
129.01855	3.1
131.04973	2.8
135.08066	7.4
139.03885	4.6
145.04968	27.1
147.02922	2.3
154.06264	32.1
159.02916	16.6
163.07550	26.2
164.85307	1.3
165.09065	1.7
195.10188	100.0
197.99329	1.2
205.12297	1.2
213.04016	2.9
230.06566	4.1
231.05063	11.8
248.07726	7.0
303.12366	2.3
314.03729	2.5
348.61417	1.5
427.17331	1.3
475.07141	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.3837
Annotation	Spirosupinanonediol
Peak:m/z	Relative Intensity
55.05514	21.1
57.07084	15.9
67.05513	20.4
69.07069	38.7
70.90843	4.6
70.91180	4.8
71.04965	4.7
71.08607	5.8
79.05507	15.6
79.59268	2.8
81.07059	66.7
83.05003	5.0
83.08623	21.6
85.06535	4.5
91.05475	17.8
93.07045	43.6
95.04974	4.2
95.08609	100.0
96.24126	3.4
97.06544	5.7
97.10178	9.9
103.97503	3.1
105.07031	47.2
107.08604	64.8
109.10161	76.2
111.08065	5.7
111.11716	17.5
119.08581	60.2
121.10148	50.0
123.08082	15.4
123.11708	24.9
131.08543	6.8
133.10129	64.5
135.08052	3.7
135.11694	36.0
137.09631	6.2
137.13280	15.1
139.07559	5.5
145.10110	12.6
147.11694	56.0
149.09592	5.1
149.13274	24.5
151.11130	6.0
153.09128	7.5
157.10164	3.2
159.11696	7.6
161.13258	26.0
163.11165	4.5
163.14827	10.5
165.09120	5.9
165.12708	6.6
167.10652	8.1
173.13274	6.8
175.11177	6.8
175.14882	15.1
177.16431	8.5
179.10603	5.5
187.14844	5.9
189.12665	5.0
189.16412	50.9
191.17963	58.2
193.12230	12.2
203.17964	40.1
205.19559	14.9
207.13763	6.4
217.19492	15.8
219.17514	6.8
221.18994	41.0
223.17018	6.9
229.19505	8.3
230.95689	3.2
231.17426	11.0
231.21028	16.4
238.57202	3.3
245.22659	4.8
249.18477	21.6
271.24255	5.6
279.04797	2.8
317.24747	4.1
327.26782	4.3
341.09891	3.3
347.17609	4.9
349.00040	3.3
353.28281	7.3
360.85217	3.1
401.10419	3.4
423.36295	16.6
441.37311	82.8
459.32663	3.9
459.38553	64.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.3836
Annotation	Spirosupinanonediol
Peak:m/z	Relative Intensity
51.36738	3.1
55.05521	23.5
55.23433	3.3
57.07062	11.6
59.15594	3.0
67.05505	21.6
69.07068	43.5
69.83312	9.4
69.83717	9.1
79.05485	13.9
81.06661	4.0
81.07068	52.4
82.95361	3.7
83.04967	3.5
83.08611	15.1
85.06532	4.1
91.05485	17.7
93.07047	35.3
95.08616	100.0
97.06538	4.0
97.10150	10.2
98.20844	5.2
105.07034	44.1
107.08595	56.2
109.06561	3.5
109.10175	62.2
111.08103	4.4
111.11739	18.0
117.06982	3.6
119.08595	52.5
121.10146	51.7
123.08060	14.7
123.11735	22.9
131.08577	6.6
133.10132	55.2
135.11699	34.1
137.13257	12.8
139.07523	6.4
145.10130	12.7
147.11707	51.1
149.13252	16.9
151.11201	7.5
151.14824	9.5
153.09085	7.5
159.11722	7.8
161.13303	27.9
163.14812	13.7
165.09056	6.0
165.12823	4.4
166.38823	3.3
167.10667	5.1
171.11684	4.0
175.11131	3.4
175.14809	12.1
177.16360	5.6
179.10686	8.1
187.14883	5.3
189.16399	47.0
191.17961	48.7
193.12186	10.9
203.17946	29.5
205.19528	12.1
207.13748	5.0
207.17538	3.8
213.16307	5.5
217.19557	12.8
219.17474	8.3
221.19031	41.4
223.16881	6.7
229.19542	9.7
231.17450	7.0
231.21074	14.9
243.21033	3.8
245.22681	9.9
249.18521	23.4
257.22543	3.8
259.24207	3.8
303.23145	5.7
353.28329	10.8
361.09662	3.9
374.11227	3.9
381.31375	4.4
394.05383	3.2
402.10413	3.6
405.35052	4.8
423.36096	10.0
425.42169	4.0
441.37347	81.7
459.32520	5.7
459.38364	52.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.3836
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02453	1.8
55.05506	1.7
55.38604	1.3
57.07077	2.5
67.05500	4.7
69.03437	12.5
69.07094	5.8
71.04981	1.9
71.11697	2.6
79.05482	3.3
81.07067	10.2
83.08635	2.0
85.06551	100.0
91.05470	2.0
92.00037	1.3
93.07031	5.4
95.08618	11.7
97.06551	1.9
97.10184	1.3
105.07037	4.9
107.08604	7.8
109.10181	10.5
111.08092	64.9
111.11676	2.4
119.08563	6.1
121.10141	5.4
123.11708	5.4
131.08580	1.7
133.10152	4.7
135.11693	4.6
145.10106	2.1
147.11717	3.0
149.13264	4.7
159.11642	2.6
161.13206	2.3
163.14845	1.5
175.14896	1.5
179.10724	1.7
181.01447	1.2
187.14764	1.5
191.17902	1.5
205.19511	4.0
231.21114	1.5
295.32733	1.3
387.15839	2.8
401.17621	2.5
403.19357	2.9
429.17209	1.7
431.18329	2.5
441.37286	1.9
459.16983	13.0
459.38953	13.0
460.18796	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.3835
Annotation	3alpha,20-Dihydroxy-3beta,25-epoxylupane
Peak:m/z	Relative Intensity
54.90955	0.6
55.05511	2.7
57.07077	1.8
59.05009	0.7
67.05515	3.6
68.48218	0.7
69.03433	5.2
69.07066	5.1
71.05006	1.0
79.05493	1.5
81.07055	7.6
83.04978	0.7
83.08625	2.0
85.06547	100.0
91.05479	2.7
93.07035	4.8
95.08610	11.3
97.06534	2.3
97.10184	1.9
105.07006	4.2
107.08606	5.7
109.10168	8.8
111.08080	18.3
115.07611	0.7
119.08588	5.3
121.10146	6.9
123.08121	1.2
123.11720	4.5
125.09636	2.6
131.08594	0.9
133.10097	3.3
135.11696	3.5
137.09647	0.9
137.13252	4.0
143.10672	1.5
144.70978	0.7
145.10136	1.2
147.11719	3.4
149.13242	5.1
151.14835	1.6
159.11725	1.9
161.13271	2.2
163.14830	1.5
167.10768	0.7
173.09599	0.7
173.13245	1.2
175.14891	1.7
177.16537	0.8
183.11824	0.8
185.13434	0.8
187.14809	1.6
191.18092	0.9
199.14790	0.8
201.16515	1.0
205.19629	2.7
215.18250	0.7
217.19487	1.0
231.21147	0.8
243.21155	0.9
254.07744	0.7
275.03000	0.7
333.28030	1.6
362.89804	0.8
423.36441	1.7
441.37564	2.1
459.21878	2.9
459.39163	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	459.3835
Annotation	Salvinemorol
Peak:m/z	Relative Intensity
53.03949	2.3
55.01871	1.7
55.05313	1.3
55.05519	14.1
57.07063	4.5
59.45226	1.3
60.07395	1.4
65.03934	2.3
67.05508	15.1
69.03443	1.8
69.07076	19.4
70.91517	3.7
79.05498	14.3
81.07060	33.7
83.04948	1.9
83.08615	9.1
91.01829	1.5
91.05487	13.3
93.07049	45.1
95.04977	2.9
95.08611	52.1
97.06518	4.1
97.10160	4.1
99.08095	1.8
105.07038	24.9
107.08601	61.3
107.18566	1.5
109.06510	3.3
109.09476	2.5
109.10164	30.2
111.08082	6.7
111.11682	1.7
113.09644	2.2
117.06998	3.8
119.08588	28.2
121.10153	56.6
123.08054	2.8
123.11733	19.0
125.09635	4.0
126.51801	1.3
131.08601	8.5
133.08556	1.7
133.10132	26.6
135.11694	30.1
137.13268	12.3
139.11218	3.5
143.08571	5.2
144.09291	2.1
145.10133	18.4
147.11693	20.7
149.09645	3.3
149.13275	59.5
150.36270	1.7
151.11134	1.8
157.10146	6.4
159.11699	25.4
161.09593	1.5
161.13260	11.2
163.14848	6.5
167.10759	2.3
167.14377	2.7
169.10201	2.0
170.10980	1.7
171.11647	6.9
173.13362	9.9
175.14832	9.1
177.12894	1.8
177.16406	10.3
185.13263	7.7
185.16095	1.6
187.14804	16.4
189.16431	8.0
191.17940	4.7
195.17464	3.2
199.14813	5.3
201.16396	24.5
203.17982	33.0
205.15860	3.0
205.19342	1.8
211.14766	1.6
213.16357	10.7
215.18015	12.2
217.15955	1.6
217.19579	3.8
223.16940	5.6
227.17924	9.9
229.19467	4.7
233.18974	13.1
239.18095	2.2
241.19466	5.9
245.18980	2.2
251.20096	24.9
253.19710	1.8
255.21170	3.6
267.21146	2.8
279.23273	3.1
281.22736	2.5
283.24200	11.3
304.80353	1.5
345.27499	1.9
405.35455	7.3
423.36273	100.0
424.36542	2.5
441.37582	22.3
459.30685	2.3
459.38773	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	459.3838
Annotation	Salvinemorol
Peak:m/z	Relative Intensity
55.05509	12.8
57.07074	4.3
67.05514	22.9
69.07070	21.8
69.21075	32.8
77.03922	3.4
79.05490	23.3
81.07059	57.8
81.15286	3.3
83.08611	9.5
91.05471	16.9
93.07061	39.9
95.08614	100.0
97.10148	4.5
105.07047	39.2
107.08602	64.6
109.06542	3.5
109.09462	5.8
109.10165	57.8
111.11703	6.7
117.06972	5.5
117.46138	4.0
119.08600	43.0
121.10162	53.0
123.11704	22.7
131.08565	13.5
133.10127	39.0
135.11723	31.1
137.09552	4.2
137.13269	5.9
143.08585	4.7
145.10130	23.8
147.11699	31.9
149.13283	26.6
157.10141	4.7
157.54710	3.5
159.11679	24.6
161.13231	25.2
163.14845	25.3
167.50558	3.1
171.11739	5.5
173.13283	14.3
175.14761	24.4
177.16412	10.9
179.14340	10.6
187.14894	11.8
189.16458	25.5
191.17952	77.6
193.15887	7.7
201.16400	12.1
203.14381	3.7
203.17978	43.3
205.15930	3.7
205.19537	9.4
207.17448	14.7
215.17992	19.1
217.19569	12.5
219.17471	16.6
221.19014	21.6
229.19489	7.3
231.21065	6.9
233.19000	18.0
243.20944	3.3
249.18472	5.9
251.20076	17.3
343.85864	3.9
372.51093	3.3
411.36169	34.5
423.36551	19.0
424.73264	3.3
429.37076	5.9
441.32117	3.9
441.37527	40.7
459.32315	3.9
459.38449	87.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.3836
Annotation	Spirosupinanonediol
Peak:m/z	Relative Intensity
55.05500	21.5
57.07082	11.2
67.05511	38.7
67.36786	7.0
69.03432	13.9
69.07063	28.0
71.08581	6.3
71.51613	10.7
79.05478	15.6
81.07059	51.6
83.08603	26.9
85.06545	100.0
91.05473	15.5
92.51986	6.7
93.07053	32.1
95.08619	78.8
97.10114	12.4
105.07037	32.8
107.08595	60.0
109.10163	70.4
111.08092	61.3
111.11694	6.7
119.08580	24.4
121.10136	44.5
123.08115	7.1
123.11703	34.4
125.13017	5.9
131.08583	6.2
133.10135	28.5
135.08076	8.1
135.11679	40.9
137.13243	24.4
145.10165	9.1
147.11688	23.6
149.13260	28.8
151.11180	7.2
151.14795	12.4
159.11681	12.9
161.13266	17.2
163.11256	6.8
163.14818	12.2
175.14903	13.4
177.16429	15.4
179.14281	8.4
189.16309	12.3
191.18005	10.7
205.19492	7.9
231.21095	8.1
245.22575	17.1
246.29088	7.0
405.98633	6.7
423.36572	16.6
441.37524	36.5
459.38742	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	459.2742
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	6.0
55.01866	8.3
55.05516	62.2
57.03439	5.3
59.05008	2.4
65.03957	2.4
67.05511	52.9
69.03420	4.5
69.07071	19.0
69.44024	14.1
71.05004	2.6
75.71208	2.2
79.05498	50.7
81.03407	3.6
81.07063	41.5
83.04977	7.2
83.08621	28.3
91.05487	52.2
92.01784	2.0
93.07042	25.8
94.48129	1.9
95.04951	5.7
95.08624	17.6
97.06526	3.5
97.10176	51.1
99.08067	2.4
103.05466	25.1
105.03396	7.3
105.07038	33.5
107.04950	8.5
107.08586	26.0
109.06533	3.7
109.10158	17.5
111.08074	3.5
114.44896	1.9
115.05479	12.9
116.06245	3.3
117.06233	3.9
117.07022	60.6
119.08582	19.5
121.06494	4.2
121.10165	7.2
123.08065	2.8
125.09641	43.3
128.06235	8.8
129.07011	28.5
131.04942	4.9
131.08568	42.3
133.06496	6.4
133.10126	8.1
135.08066	12.4
135.11688	2.8
137.09630	3.8
139.07582	2.4
141.07034	15.6
141.73270	2.0
142.07822	2.4
143.08549	16.9
145.06487	12.1
145.10150	19.4
147.08052	6.8
147.11751	4.4
149.09674	4.4
153.06906	4.4
153.09123	4.0
154.07825	3.0
155.08519	14.9
156.09473	2.5
157.06532	6.1
157.10144	5.8
159.08038	6.4
159.11716	4.9
165.09120	3.3
167.08580	6.6
169.10127	12.3
171.08083	6.0
171.10304	2.6
171.11655	9.6
173.09685	3.6
173.13281	5.2
181.10158	4.9
183.11713	4.6
185.09631	3.1
185.13306	7.5
187.11229	2.7
187.14845	21.4
189.11243	27.0
189.12741	2.9
191.08611	9.5
193.10156	2.1
195.11661	5.9
197.13280	18.5
199.11363	4.5
209.13251	3.4
211.14861	2.7
213.12799	7.0
215.14331	100.0
223.11330	3.2
223.14886	3.4
227.12770	38.3
233.15337	3.0
237.12920	2.8
238.59413	2.2
239.14285	2.4
241.12285	4.2
241.15840	2.4
245.13768	2.0
247.15042	2.4
255.13808	3.0
259.13385	3.1
269.13141	4.7
271.17004	7.7
313.07147	5.4
321.22302	2.7
322.64896	2.5
339.23331	4.7
349.21640	16.0
357.24417	2.7
367.22650	38.6
377.01660	2.2
385.23773	24.5
403.24939	5.9
423.25363	3.7
441.26382	63.1
441.32776	3.0
442.26929	2.3
459.17953	3.7
459.27457	89.5
460.27975	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	459.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	9.3
55.01868	15.7
55.05516	13.0
57.03434	13.8
61.02933	7.6
62.14739	5.5
64.86635	5.4
66.67422	5.6
67.05492	16.8
69.03430	42.4
69.07051	9.9
71.18916	12.8
72.08157	14.5
79.05498	12.5
81.02974	6.7
81.03403	36.5
81.07063	29.6
83.04988	7.3
84.08154	7.0
85.02907	100.0
86.09695	18.8
87.00837	48.3
91.05474	21.4
93.07043	18.6
95.04978	16.9
95.08614	30.3
97.02883	26.7
99.04458	10.5
103.05454	12.0
105.01885	38.4
105.03388	16.2
105.07009	25.4
107.05000	12.8
107.08611	21.6
109.02874	35.4
109.06535	6.4
109.10198	17.7
111.08060	8.8
119.04912	7.1
119.08583	21.3
121.06525	5.6
121.10155	26.8
125.09605	7.9
126.97530	5.6
127.03909	65.3
129.07014	11.4
129.10344	6.5
129.29539	5.9
131.04936	31.2
131.08549	11.0
132.05296	15.3
133.10138	27.6
135.08018	7.6
135.11745	6.6
137.05956	20.5
137.09630	11.4
143.08585	8.4
145.04982	28.6
147.11653	7.9
151.07587	7.5
157.10197	9.2
159.08052	9.6
161.09624	9.4
165.09137	8.8
167.07056	25.9
175.14841	19.8
187.07571	10.3
193.15871	9.4
231.04958	10.1
249.11259	20.4
285.08740	11.9
309.07529	10.7
459.20285	10.7
459.25656	55.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	1.9
54.80950	1.6
55.05508	7.5
57.07074	1.6
59.05002	1.9
65.53833	1.5
67.05517	17.2
69.03432	10.5
69.07081	11.5
69.79433	9.2
71.04999	2.9
79.05502	4.4
81.03419	4.7
81.07066	19.4
83.05000	9.7
83.08650	4.2
85.02916	9.2
85.06523	2.0
87.00814	3.5
91.05486	4.4
93.07054	11.6
95.04950	2.3
95.08621	31.5
97.02896	3.0
97.10165	3.1
99.08074	5.0
105.01890	2.2
105.07028	4.8
107.08605	24.4
109.06540	8.8
109.10170	91.1
111.08089	4.1
117.01994	1.4
119.08590	34.7
121.10163	14.2
123.08107	13.3
123.11697	7.6
127.03931	4.6
133.10150	20.2
135.11703	100.0
137.09622	15.9
139.11229	1.9
145.04948	2.5
147.11710	1.8
149.13283	6.2
151.11154	8.2
151.14801	9.6
153.12796	3.1
165.16356	3.5
165.63858	1.9
175.13304	2.6
175.14841	49.9
184.24730	1.5
193.15909	67.3
211.16956	56.2
212.17126	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	15.6
55.01872	15.5
55.05512	13.0
57.03436	10.7
57.07080	11.3
67.05489	16.7
69.03439	54.0
69.07079	8.5
69.46655	49.6
70.06592	16.3
71.04983	15.4
72.08163	32.0
81.03411	29.0
81.07059	28.2
84.08139	18.8
85.02910	100.0
85.06525	12.2
86.09714	79.0
87.00841	41.3
91.05518	12.8
93.07060	21.8
93.10609	7.2
95.04977	7.7
95.08607	29.7
97.02900	36.1
103.05470	22.4
105.01865	41.8
105.03390	28.9
105.07028	28.7
107.04936	13.6
107.08593	24.4
109.02883	31.2
109.06532	11.7
109.10150	22.0
111.08012	6.6
115.05420	6.7
117.07055	11.8
119.08609	22.6
121.10165	18.8
123.08050	10.5
123.11745	12.0
125.09687	9.5
127.03929	70.6
129.10300	7.7
131.04912	20.4
131.08534	8.8
133.10153	17.6
135.11690	11.1
137.05975	14.3
145.04973	27.7
145.10095	12.4
147.04419	8.9
149.80630	6.5
151.07501	9.8
157.13382	9.3
159.02968	8.9
162.07585	18.2
163.07645	16.9
165.09142	10.8
167.07076	14.3
173.09579	6.6
175.07700	8.3
175.14778	18.4
185.13005	11.5
187.11150	8.6
187.14803	6.9
193.15930	13.8
195.10208	10.5
200.57039	6.8
211.11566	6.4
231.05086	13.6
275.16147	11.3
417.89154	9.1
459.26407	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	459.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	5.0
55.01868	3.0
55.05513	30.6
57.03442	2.8
59.05009	3.7
64.84978	1.7
67.05515	19.3
68.37683	1.9
69.03432	12.4
69.07073	16.3
69.71023	10.9
70.06596	3.2
71.04997	4.2
71.91873	1.5
72.08148	4.8
79.05503	8.4
81.03418	11.6
81.07056	26.4
83.04985	100.0
83.08608	2.7
85.02910	19.6
85.06539	2.1
86.09695	5.4
87.00847	5.2
91.05473	8.2
93.07046	15.0
95.04948	8.7
95.08624	17.5
97.02920	9.0
97.06524	2.9
99.04460	6.8
103.40827	1.7
105.01863	7.1
105.07030	7.9
106.89451	2.0
107.08618	13.6
109.02882	7.1
109.06508	12.6
109.10163	32.7
111.08095	6.8
115.24615	1.7
117.06917	1.8
119.08577	10.7
121.06544	2.4
121.10150	6.6
123.08086	4.2
123.11707	6.4
125.09636	5.7
127.03922	10.3
127.09874	1.7
131.08588	2.9
133.10149	12.7
135.08064	3.1
135.11691	22.9
137.09628	56.7
145.04976	4.0
149.13194	2.9
151.11189	5.2
155.10712	12.9
159.02933	3.1
165.16402	3.0
175.14812	16.7
189.03957	2.4
191.14075	2.4
193.15892	77.5
211.16792	1.9
218.12709	1.7
235.16792	1.9
240.93398	1.7
261.04044	1.9
270.31030	2.2
295.80325	1.8
297.07584	2.7
459.17267	2.4
471.41165	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	459.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.4
55.01869	0.5
57.03444	1.9
61.02912	1.0
62.97523	0.4
66.42176	0.4
69.03439	3.6
70.06574	1.0
71.01347	0.7
71.04972	0.8
71.50192	0.4
71.50619	0.4
72.08144	0.7
73.02921	0.8
79.82389	0.4
81.03412	1.0
82.79774	0.3
85.02924	3.0
86.06066	0.7
86.09728	0.4
91.05447	0.6
97.02881	1.5
99.04459	0.9
105.07021	0.4
107.04934	0.5
108.08114	0.8
109.02896	0.6
121.02884	0.4
121.06495	0.5
123.04424	0.6
127.03917	0.5
135.09225	1.8
136.07597	0.6
137.06046	0.4
145.07640	0.4
147.04430	0.4
148.06273	0.8
162.07919	0.5
163.08679	61.9
164.07118	0.5
182.08070	0.4
207.02928	1.1
219.02942	2.4
223.02448	0.6
225.03973	0.5
233.04393	0.6
261.03979	3.2
273.03934	0.5
273.09381	0.5
291.04761	0.4
297.14471	100.0
298.14859	1.5
303.05167	0.9
321.06006	0.6
339.07886	0.7
393.09851	0.9
459.19803	35.7
460.19867	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	1.3
67.05500	1.6
69.03436	1.3
70.06601	1.8
71.02785	2.1
71.04987	1.6
72.08157	2.6
79.05544	1.0
79.71973	0.8
81.03420	0.8
83.04989	1.0
84.08161	1.1
85.02910	5.4
86.09725	2.8
87.00815	0.8
91.05471	0.9
93.07088	1.1
93.39915	0.8
93.47469	1.2
95.04950	0.9
95.08588	1.3
97.02886	1.4
99.04465	1.0
105.07047	1.2
109.10184	1.4
119.08604	1.4
120.06570	1.3
127.03940	1.4
129.05498	1.2
134.04634	12.2
135.03008	1.0
137.05994	1.1
143.08534	1.0
145.04967	1.2
145.10156	1.0
149.99956	0.8
151.07573	1.4
152.05684	2.0
165.02354	8.7
167.07166	1.3
176.07025	1.1
182.04977	77.7
193.00763	1.1
194.08250	1.0
201.05371	0.8
208.02908	100.0
209.03038	0.8
211.09732	1.6
252.12309	1.0
252.30069	0.8
312.64227	0.9
314.09177	1.8
326.47263	0.8
327.08737	53.2
459.17657	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	458.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03966	0.5
56.96568	2.3
58.99579	0.5
61.78113	0.5
67.05508	1.4
69.03435	1.6
69.07076	0.6
70.06593	1.9
71.04974	0.7
71.51292	0.6
72.08165	1.6
73.02963	0.7
74.06085	0.9
74.09741	1.0
76.02225	0.9
79.05503	1.4
81.03417	1.0
81.04540	0.6
84.96047	1.2
85.02907	4.5
86.00652	0.7
87.04473	0.6
88.03976	0.6
91.05488	1.5
93.07047	1.9
94.06573	1.1
95.04939	0.7
96.04519	1.5
97.02911	2.0
98.97602	4.3
100.02225	1.0
103.05478	6.3
103.53281	0.5
105.58134	0.5
107.04965	2.3
109.02918	0.6
109.06396	1.5
110.06040	2.1
110.97575	1.8
113.06006	0.8
116.98650	1.3
120.08120	100.0
121.06419	3.1
121.08472	1.4
122.06053	4.8
123.02645	0.5
124.07588	1.7
127.03919	1.1
128.98616	1.2
131.04929	3.2
131.07098	1.4
132.01141	1.1
134.06036	0.6
136.07591	8.5
137.06070	0.9
137.07050	0.9
138.05527	2.0
138.06668	2.2
138.77803	0.5
139.07448	1.2
140.01660	2.8
140.07083	0.6
142.03270	1.7
143.00140	0.6
145.04994	1.2
146.02711	0.8
149.05995	2.1
150.03752	0.6
150.05498	0.9
158.99638	1.1
164.07076	5.7
166.08659	49.7
167.07083	0.5
167.08966	0.6
170.99786	0.7
174.99229	0.6
180.03574	0.5
182.08153	3.4
184.00710	1.0
195.05905	2.3
219.01772	1.2
229.06451	1.8
237.02785	0.9
241.06415	5.8
252.31697	0.6
255.11360	2.0
256.09662	1.2
259.07550	7.8
259.10410	0.7
260.07111	0.6
284.09271	0.5
286.32272	0.6
297.10245	3.0
301.11902	2.4
302.10199	3.3
305.09564	0.5
319.12997	1.9
320.11398	0.8
333.09064	1.0
363.02606	0.6
440.14835	1.3
458.16177	1.3
459.15686	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	457.3679
Annotation	Petatrichol B
Peak:m/z	Relative Intensity
55.05503	5.4
57.07077	5.9
62.27499	1.6
62.34320	1.7
65.41550	1.9
67.05505	7.7
69.07069	10.9
70.13676	6.7
71.08618	2.0
79.05496	3.7
81.07063	17.1
83.08614	5.1
91.05479	4.9
93.07038	11.5
95.05042	3.9
95.08614	30.8
97.10161	2.8
98.74651	1.8
100.47832	2.0
102.09180	2.6
102.64755	1.9
105.07045	9.5
107.08607	19.7
109.06521	5.0
109.10164	19.8
111.08041	2.4
111.11763	5.3
119.08578	18.0
121.06514	3.9
121.10144	24.3
123.08083	3.6
123.11716	5.1
129.43871	1.8
131.08588	5.1
133.10147	36.6
135.08058	5.5
135.11673	20.1
137.09621	3.2
137.13260	6.2
145.10139	8.4
147.08057	2.1
147.11705	11.2
149.09697	2.2
149.13316	9.7
157.10190	2.4
159.11717	9.7
161.09642	3.1
161.13261	8.7
163.11230	3.9
163.14816	3.6
170.95645	2.0
171.11665	4.8
173.09711	2.1
173.13251	10.8
175.14839	10.4
177.16403	2.6
177.35651	2.0
183.11670	2.0
183.74817	1.9
185.13263	2.9
187.14804	9.8
189.12813	2.1
189.16399	11.2
193.15892	2.2
197.13284	2.0
199.14835	2.9
200.20140	5.2
201.16356	2.0
201.20462	3.4
203.14310	2.1
203.17883	1.8
205.19633	2.3
207.17477	2.5
213.16370	2.9
215.14348	7.1
217.15913	4.8
229.15897	2.3
231.17467	2.4
233.19153	2.0
237.16373	2.2
259.20532	2.9
273.22302	2.2
283.20425	2.6
283.26306	3.2
284.26715	7.2
295.40765	2.0
313.25226	3.4
403.33688	6.4
421.34647	100.0
422.35181	4.8
439.35873	59.1
440.36261	2.2
457.36142	34.0
457.44394	14.0
458.36667	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	457.3687
Annotation	Petatrichol B
Peak:m/z	Relative Intensity
55.05507	28.3
57.07072	13.8
65.86676	8.0
66.20690	6.9
67.05515	36.4
68.75376	6.7
69.07076	40.8
70.06594	6.8
71.08629	17.4
71.29385	12.7
75.09536	8.1
79.05502	16.4
81.07076	79.0
83.08624	16.1
85.06521	9.5
88.07651	9.5
90.44740	8.8
91.05489	18.8
93.07039	52.7
95.08624	100.0
97.06536	8.2
97.10194	7.9
102.09184	13.0
105.07051	40.4
107.08611	62.8
108.02964	7.2
109.06477	9.1
109.10175	86.6
111.11738	12.3
119.08599	46.1
121.10145	66.9
123.08083	17.5
123.11762	33.6
131.08580	14.7
133.10141	31.6
135.11690	26.4
137.13243	19.0
145.10168	16.9
147.11694	23.5
149.13292	34.0
157.10173	9.8
159.11732	20.3
161.13292	20.8
163.14824	15.8
171.11674	8.2
173.13289	17.8
175.14874	13.8
187.14891	17.9
189.16356	12.6
191.17934	16.9
200.20079	26.6
201.16553	12.2
201.20503	19.2
203.18015	10.5
207.17470	11.1
235.16817	7.6
237.44557	8.5
283.26355	16.7
284.26569	22.3
315.23172	7.4
421.34570	26.0
439.35974	75.0
457.35977	82.4
457.44409	64.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	6.2
54.43947	6.6
55.05528	7.6
65.03937	6.2
67.05490	9.7
69.03423	22.9
69.07056	7.3
69.31383	56.6
71.04984	12.3
79.05536	9.1
81.03423	15.9
81.07066	13.9
83.04958	11.2
83.26225	6.2
85.02899	19.1
87.00814	7.9
91.05482	12.5
93.07059	5.9
95.04972	7.0
95.08593	29.5
97.02886	7.6
97.06525	5.8
105.07056	11.9
107.08628	35.8
109.02840	7.5
109.06530	47.6
109.10165	26.5
121.10155	30.3
123.08076	14.2
125.09638	9.8
127.03935	10.4
131.04956	6.5
131.08563	17.0
132.84570	6.6
133.10146	24.1
135.08052	29.2
135.24648	6.8
137.09659	13.7
139.39400	6.0
147.11742	10.2
149.09624	15.5
149.13271	18.0
151.11206	60.8
163.14854	11.9
165.09215	9.7
173.13290	15.6
191.14311	100.0
202.95607	6.4
209.15408	57.0
215.44203	7.3
233.62848	6.7
299.05722	6.5
337.07095	7.0
372.85123	6.9
457.15009	8.0
457.24167	21.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3679
Annotation	3alpha-Hydroxyolean-12-en-27-oic acid
Peak:m/z	Relative Intensity
55.05505	8.8
57.07080	6.0
65.03937	0.9
67.05502	10.2
69.06736	1.2
69.07073	16.7
70.06590	1.1
70.08900	3.6
71.04980	0.9
71.08631	2.0
76.69276	0.8
79.05494	5.4
81.07060	24.7
83.04982	1.2
83.08633	6.9
83.42063	0.7
85.06519	1.2
88.07623	2.2
91.05473	7.1
93.07052	12.7
95.04915	0.8
95.08614	45.4
96.08971	0.9
97.06524	1.8
97.10175	4.1
99.04489	0.9
99.08071	1.6
105.07039	9.7
107.08595	19.7
109.06519	2.7
109.10165	25.3
111.08105	1.5
111.11749	3.6
117.07014	1.9
119.08593	15.9
121.06519	0.8
121.09326	1.4
121.10153	18.6
123.08046	2.1
123.11715	8.3
125.05971	1.4
125.09622	1.4
131.08591	3.7
133.10135	17.6
135.08052	1.8
135.11688	11.0
137.06073	1.0
137.09641	1.4
137.13264	14.8
139.07588	2.1
139.11191	0.8
139.88150	0.7
143.08580	1.8
144.09366	0.9
145.10138	7.1
147.08078	1.4
147.11690	9.6
149.09648	2.5
149.13318	5.6
151.07561	1.5
151.11128	1.1
151.14827	2.8
153.09116	2.6
157.10155	2.1
159.11690	8.5
161.09604	2.3
161.13245	6.9
163.07561	1.3
163.14807	3.8
165.09134	2.6
167.10732	0.8
171.11748	3.5
173.13261	6.3
175.11230	2.0
175.14827	12.6
177.09116	1.6
177.12839	1.2
177.16386	6.0
179.10706	2.4
181.12236	1.2
185.13243	3.2
185.14702	0.7
187.11264	0.9
187.14868	3.6
189.12776	1.6
189.16399	3.9
191.10768	1.1
191.14316	1.1
191.17964	5.1
193.12280	3.1
197.13365	1.7
199.14865	2.2
200.20155	2.2
201.16412	2.6
201.20494	1.8
203.14264	2.1
203.18018	5.3
205.15735	0.8
205.19548	2.7
207.13806	1.9
207.17458	2.1
213.16379	1.8
215.17834	4.1
217.15988	1.2
217.19513	2.4
219.13823	1.6
219.17464	2.2
219.21181	0.8
221.15366	5.0
227.18045	1.1
229.15932	1.1
229.19505	4.3
231.13988	1.0
231.17502	2.1
233.15479	1.0
233.19066	1.2
235.16982	1.7
241.19566	1.7
243.17392	2.0
243.21094	15.0
245.22740	1.6
247.20770	0.9
249.18565	2.4
255.21187	2.1
257.22641	2.1
259.20563	1.1
261.22162	0.8
267.74149	0.9
269.22684	3.0
275.20102	1.2
283.20599	1.6
283.26480	1.9
284.26715	3.6
287.20026	1.4
289.21625	1.7
301.21713	4.5
301.25003	1.1
303.23151	1.8
315.23172	1.5
322.58398	0.9
329.24771	1.5
393.35205	3.0
403.33710	0.9
411.36255	29.0
412.36533	2.0
421.34778	4.8
439.35742	100.0
440.36066	6.0
457.36740	29.0
457.44400	8.2
458.36920	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.7
55.01860	3.6
55.05505	4.7
57.03446	1.3
57.07069	2.3
61.02908	1.2
63.00735	1.4
67.05499	5.0
69.03436	35.4
69.07075	6.1
69.39415	6.2
69.39841	4.5
69.94776	1.4
71.05000	2.0
72.89030	1.2
73.02897	1.3
79.05501	2.4
81.03412	5.2
81.07058	8.7
83.04987	3.0
85.02909	14.1
85.06532	2.2
87.00832	8.9
91.05473	5.5
93.07063	9.5
95.08607	8.6
97.02885	5.4
97.06530	3.5
97.10162	2.2
99.04473	1.9
103.05471	2.0
105.01860	5.0
105.07039	5.1
107.08613	18.8
109.02916	3.9
109.06544	4.8
109.10151	2.7
111.08084	4.3
115.05463	1.8
117.06996	2.4
119.08601	6.3
121.06532	6.3
121.10140	9.3
123.08060	3.8
123.11718	5.3
125.09634	15.2
127.03889	7.9
131.04935	4.3
131.08580	6.3
133.10185	7.1
135.08047	10.4
135.11693	5.8
137.05972	1.4
137.09657	2.9
143.08585	2.1
145.04951	2.9
145.10179	3.2
147.11688	16.9
149.09644	8.9
149.13284	9.0
150.10451	2.0
151.11154	2.2
153.09114	5.9
158.11003	2.4
159.02882	2.4
161.09685	2.3
163.09802	1.2
163.11140	2.7
163.14832	6.1
165.09142	5.2
165.12769	3.0
171.11673	1.4
173.13281	22.0
176.11946	1.5
191.14320	100.0
192.14722	2.3
209.15385	78.5
210.15762	2.7
243.12372	1.3
253.01192	1.5
264.01712	1.5
457.23746	5.2
457.35971	2.2
476.39780	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3679
Annotation	Petatrichol B
Peak:m/z	Relative Intensity
51.97569	1.7
55.05513	6.5
57.07071	5.1
60.86892	1.7
61.02945	1.8
67.05502	10.8
69.03426	2.9
69.07076	13.2
70.02238	5.3
70.06583	2.1
71.05041	1.9
71.08611	1.9
79.05494	5.4
81.07063	21.4
83.04963	2.0
83.08617	5.8
88.07636	3.7
91.05490	7.3
93.07053	16.2
95.04984	2.9
95.08611	35.5
97.10191	3.6
98.21365	3.8
102.84106	1.8
105.07044	10.0
107.08590	22.0
109.06548	1.8
109.10164	20.5
111.11679	2.9
111.90977	1.7
114.88232	2.0
117.06998	2.2
119.08591	21.8
121.06498	3.3
121.10153	18.1
123.08062	3.2
123.11708	7.9
131.08562	5.1
133.10132	38.2
135.08029	6.4
135.11705	18.3
137.09579	2.4
137.13255	7.5
137.23627	2.0
143.08485	4.2
145.10172	10.4
147.11688	12.7
149.09615	3.6
149.13261	8.0
157.10133	3.7
158.10938	2.3
159.11693	10.7
161.13271	7.8
163.11121	3.5
163.14828	6.3
171.11797	3.1
173.13287	14.3
175.14798	12.4
185.13281	3.4
187.14862	11.5
187.16257	1.9
189.16377	12.2
191.17960	5.1
197.13307	2.8
199.14726	2.7
200.20062	4.3
201.16486	3.9
201.20476	3.8
203.14258	2.2
203.17914	3.2
205.19524	4.3
211.15002	2.1
213.16489	4.1
215.14352	5.6
215.18205	2.8
217.15942	3.3
219.17644	2.4
227.17844	2.3
229.19539	2.1
231.17415	2.8
233.15593	1.8
233.18994	3.0
241.16618	1.8
241.19511	2.2
243.21001	2.3
259.20569	4.0
265.19717	2.2
283.20480	3.2
283.26361	2.2
284.26672	5.2
304.34146	2.1
313.25482	2.3
365.28427	2.2
403.33472	5.7
421.34665	100.0
422.34973	6.5
439.35919	61.3
440.36310	3.8
457.35739	38.8
457.44333	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	457.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.3
55.01867	3.4
55.05517	6.8
57.03442	2.7
65.04958	1.2
67.05495	4.3
69.03440	16.1
69.07063	3.2
69.18455	12.6
71.04993	3.2
72.31947	1.1
79.05491	3.2
81.03428	13.0
81.07063	11.7
83.04977	3.3
85.02908	19.2
85.06544	2.4
87.00820	7.9
91.05491	3.2
93.07066	5.6
95.04376	2.1
95.04983	42.3
95.08617	7.3
97.02908	5.9
97.06540	2.2
97.10166	5.7
98.20715	2.1
99.04464	10.0
99.08105	2.2
105.01859	4.1
105.07017	5.8
107.08614	8.7
109.02882	8.0
109.06513	6.6
109.10164	6.0
111.08092	3.7
119.08574	3.2
121.06522	1.2
121.10162	11.3
122.07287	2.2
123.08101	5.4
123.11694	3.4
125.09642	2.5
127.03946	12.4
127.11268	1.4
133.10155	9.9
135.08044	3.4
135.11685	2.1
137.09631	16.5
137.13164	1.5
139.11177	2.7
143.10693	2.8
145.04947	3.6
147.11711	2.7
149.09628	4.8
149.13280	4.9
151.11179	17.6
153.09128	10.2
159.02942	3.6
159.11710	1.8
161.13300	1.8
165.12778	28.7
172.49265	1.1
173.13310	4.5
191.14290	10.1
193.15892	2.1
209.15398	100.0
210.15715	2.0
211.83328	1.4
231.04941	2.4
243.12209	1.8
321.23978	1.2
379.27579	1.1
457.24728	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	457.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14815	2.0
55.05498	4.6
67.05497	5.5
69.03430	11.0
69.07060	3.0
69.59586	13.9
75.11108	2.0
79.05492	5.3
81.03407	5.9
81.07059	10.1
83.04993	3.0
85.02918	9.5
87.00866	3.4
91.05479	3.9
91.64307	2.0
93.07038	4.7
95.08591	7.6
97.02873	4.9
97.10206	3.6
98.21455	2.3
105.01867	3.5
105.07034	10.1
107.08610	16.1
109.02890	4.7
109.06512	3.7
109.10146	7.7
115.05412	2.0
117.06989	2.1
119.08553	6.6
121.06502	3.2
121.10163	15.7
122.07290	4.5
123.08080	4.8
127.03883	5.6
133.10144	100.0
135.08032	8.5
136.08739	2.1
137.09624	57.5
145.04901	2.2
147.11630	2.9
149.09615	3.0
149.13254	14.5
151.11183	21.0
159.02876	2.1
165.12814	15.4
173.13229	5.9
191.14333	45.4
193.15881	4.5
209.15388	58.6
237.53098	1.9
435.52527	2.2
457.23477	3.2
468.49417	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	457.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.2
55.01887	3.7
55.05521	7.7
55.33848	2.4
55.69933	2.6
57.07079	10.4
67.05508	7.0
69.03437	29.1
69.07077	8.3
69.47934	2.7
70.32711	7.7
71.04994	5.0
73.02947	3.5
79.05503	10.8
81.03420	12.5
81.07061	13.9
83.04987	12.2
83.08585	3.4
84.08149	5.9
85.02932	29.0
85.06558	5.4
86.09710	3.9
87.00835	14.6
91.05492	12.6
93.07033	12.9
95.04974	6.9
95.08619	19.2
97.02892	14.4
97.06554	7.3
98.21465	3.6
99.04482	5.2
103.05493	2.6
105.01878	8.7
105.07050	13.0
107.04990	5.4
107.08611	37.3
107.99305	2.8
109.02874	10.4
109.06516	6.8
109.10214	13.2
109.20295	2.5
111.08101	5.1
115.05495	2.9
117.07023	5.4
119.08586	9.3
121.06517	6.0
121.10149	23.2
122.07276	3.4
123.08082	5.2
125.09645	3.3
127.03944	23.2
131.04936	6.4
131.08577	12.5
133.10143	86.4
135.08113	14.1
135.11690	5.5
137.05948	4.0
137.09631	39.1
145.04997	12.1
145.06206	2.3
147.11696	12.7
149.09641	11.2
149.13301	14.1
151.11201	18.3
153.09143	6.3
159.02850	2.7
159.11729	3.6
161.09744	3.2
163.14833	10.6
173.13322	12.8
191.14334	100.0
191.16090	4.7
199.58856	2.6
209.04431	6.9
209.15407	35.4
231.05020	4.2
243.08643	2.9
261.09778	7.9
391.12463	2.7
427.89377	3.0
457.24454	79.7
457.36792	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	456.2807
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00303	2.6
53.03941	2.8
55.01893	9.3
55.05492	1.9
57.03194	1.8
57.03444	18.9
59.05007	1.9
61.02934	13.0
65.56136	1.4
67.05502	2.1
69.03436	42.6
69.07064	3.3
70.42390	4.7
71.01344	4.5
71.05000	3.5
72.08186	1.7
73.02925	62.6
75.56464	1.3
79.05508	2.1
81.03409	6.2
81.07053	4.5
83.04980	2.5
85.02914	100.0
86.03224	2.0
87.00819	4.5
87.04471	4.3
89.02393	12.4
90.02732	1.8
91.03943	5.0
91.05493	14.0
92.05821	6.0
93.07052	2.8
95.01295	1.9
95.04984	2.2
95.08617	4.0
97.02904	63.3
97.06535	1.9
98.03241	4.5
99.00822	10.7
99.04446	3.4
100.01145	4.0
103.03923	3.4
103.05487	10.8
104.05804	5.6
105.03403	1.6
109.02853	8.1
109.06528	1.7
113.02382	5.6
115.03322	1.6
115.03956	23.8
121.10148	2.0
127.03933	26.6
129.07031	2.0
131.04929	6.9
132.05254	3.7
133.04985	30.8
133.10081	2.0
141.01840	2.5
145.04976	52.4
149.09627	1.9
150.07571	3.6
159.02901	4.0
163.06041	15.3
165.06996	2.9
165.09145	4.1
166.07684	5.8
167.08121	6.5
175.11197	1.9
179.08580	1.8
181.10138	13.1
182.10484	13.4
189.09097	2.1
191.08369	1.9
191.14328	2.2
192.08914	2.4
197.85286	1.7
204.08987	2.4
205.10153	8.3
206.10558	14.7
207.13777	1.8
215.08583	3.2
216.08914	13.3
223.05951	3.7
233.09583	6.7
234.09958	12.3
241.07039	6.1
244.08371	3.1
259.08112	5.6
262.09546	5.4
276.04071	1.5
284.48904	1.5
316.77628	1.5
330.57257	1.4
441.34610	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.4413
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	2.2
57.07079	18.7
58.06606	2.0
67.05513	2.9
69.07069	3.4
69.35108	2.5
70.06596	16.6
71.08636	11.9
73.02927	1.5
74.06081	0.5
77.32588	0.3
79.05508	0.4
81.07056	3.2
83.08629	2.3
85.06535	1.7
85.10184	3.1
86.06010	0.3
87.04448	0.5
88.07635	21.6
91.05475	0.4
93.07035	0.8
95.08611	5.0
97.06523	0.5
97.10159	1.2
97.72498	0.3
102.09187	15.5
105.07044	0.5
106.08630	1.0
106.09305	0.3
107.08577	1.1
109.10153	2.1
111.08090	0.5
111.11726	0.4
118.45703	0.3
119.08576	0.7
121.10140	0.9
123.11671	0.4
133.10223	0.3
135.11697	0.4
145.10091	0.4
147.11745	0.3
151.70340	0.3
156.17462	0.7
159.11729	0.5
167.39793	0.3
174.18385	0.3
197.08086	0.8
198.08456	0.6
200.20103	54.7
201.20427	0.8
218.21132	4.9
227.20119	0.5
228.23065	0.3
229.15907	0.4
230.16348	0.6
245.56667	0.3
255.23218	0.5
256.26456	0.4
261.18582	0.4
283.26321	55.8
284.26688	1.3
296.87280	0.3
339.26022	0.3
438.34692	0.7
456.44131	100.0
457.37561	0.6
457.44501	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	455.3888
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	23.7
57.07086	8.6
64.94209	5.7
67.05489	27.4
69.07073	54.6
79.05486	14.8
81.07047	48.5
83.08613	25.6
91.05469	17.3
93.07033	22.7
95.08619	94.0
97.10155	27.9
105.07028	15.8
107.07932	10.9
107.08573	55.8
109.10167	100.0
111.11670	14.0
115.07550	9.1
117.07063	5.2
119.08594	39.1
121.10160	55.0
121.19551	5.4
123.11680	32.9
125.09637	12.5
129.09135	8.1
133.10146	31.4
135.11699	31.4
137.13245	18.2
147.11678	26.5
149.09575	7.7
149.13237	20.7
157.12274	15.0
161.13246	17.2
163.11148	10.5
175.11179	11.9
175.14772	11.3
181.12305	13.5
187.14777	6.7
189.16362	16.4
191.17924	16.2
193.12270	7.9
203.17976	14.4
205.19514	23.0
217.19478	26.2
245.22726	11.4
249.18541	9.0
263.20007	21.8
419.65790	7.4
455.39240	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	456.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.4
53.83118	2.1
55.01880	13.3
55.30949	2.1
57.03440	23.1
57.07076	4.9
59.05008	1.8
60.39181	1.7
61.02936	17.0
69.03101	2.3
69.03439	34.8
71.01357	4.8
71.07764	4.6
73.02925	100.0
74.53970	2.3
74.80170	1.7
78.21943	1.8
81.03437	10.0
83.08073	1.6
85.02917	86.4
87.04470	5.7
91.03950	4.4
91.29408	1.7
97.02903	66.4
99.04463	5.0
103.03930	3.3
103.05468	8.5
109.02869	7.2
109.10166	11.4
115.03947	42.2
116.32957	2.2
127.03930	32.1
127.11182	8.4
131.04918	13.5
132.05283	10.3
132.06262	1.5
133.04022	3.4
133.04979	54.1
134.57126	2.0
144.06544	5.3
145.04977	50.8
150.07639	6.7
156.06540	2.3
162.07625	4.5
163.06009	18.8
180.08665	6.4
223.06006	7.2
241.07109	10.0
241.14262	3.4
259.08072	7.0
276.10736	2.4
289.16467	6.8
294.11841	1.9
312.08652	1.8
312.12878	3.8
456.19400	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3888
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	20.3
57.07067	13.7
59.04998	3.2
67.05509	24.8
69.07072	30.6
69.65549	17.8
71.08636	6.1
79.05502	16.8
81.07059	57.9
83.04985	2.8
83.08620	14.0
84.40049	3.1
85.06565	3.7
88.85265	2.6
91.05486	15.6
93.07051	34.4
95.03131	2.7
95.04951	3.8
95.08613	100.0
97.10163	9.8
102.09165	3.3
105.07024	30.5
107.08602	45.4
109.06499	5.9
109.10164	46.9
111.08068	7.5
111.11720	4.4
116.04120	2.8
117.07040	3.2
119.08585	42.0
121.06522	2.8
121.10154	42.2
123.08102	5.9
123.11723	32.4
125.09624	5.9
129.06950	2.9
131.08543	10.2
133.10147	32.4
135.08049	5.1
135.11681	19.0
137.09669	4.9
137.13263	61.3
137.14279	5.7
143.08565	9.4
145.10141	27.7
147.08046	3.1
147.11697	17.7
149.09659	6.6
149.13235	15.7
151.11221	4.3
151.14751	4.7
157.10121	15.1
159.11716	20.5
161.09599	11.2
161.13312	15.5
163.14847	13.2
165.09094	6.0
169.10109	3.3
171.11685	11.9
173.13232	20.2
175.11122	3.9
175.14809	13.1
177.12730	4.9
177.16399	7.5
179.14255	5.2
179.17923	3.5
183.11717	3.4
185.13310	7.8
187.14821	18.3
189.12813	3.0
189.16362	13.8
191.14339	3.6
191.17924	10.0
193.12170	3.4
197.13310	4.7
199.14850	9.2
200.20068	9.6
201.16389	8.6
203.17998	7.2
205.15799	4.3
205.19560	5.5
206.92546	3.4
211.14949	5.3
213.16461	4.6
215.17978	8.2
217.19501	8.0
219.17387	4.7
225.16353	3.7
229.19482	4.1
231.17474	7.4
231.21158	3.8
237.18623	9.8
239.18088	4.2
241.19626	4.9
243.21040	8.2
245.22757	3.6
249.18526	46.4
255.21092	4.2
257.18936	7.2
267.21021	5.5
269.22601	7.0
271.20609	4.6
283.24026	5.3
285.22073	10.7
395.36758	11.2
405.35239	12.9
423.36197	46.9
437.33740	18.8
455.34241	48.4
456.44131	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	455.3527
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	6.9
57.07086	5.6
59.13535	1.3
67.05521	6.7
69.03444	2.9
69.07074	13.5
69.23089	11.0
71.04991	1.2
71.08643	2.8
79.05500	7.9
80.19195	1.2
81.07066	16.9
83.08629	6.2
89.06062	2.6
89.95638	1.2
91.05486	10.7
93.07050	16.3
93.83916	1.1
95.04989	1.9
95.08620	22.5
97.06553	2.7
97.10176	3.4
105.07040	15.4
107.04958	2.1
107.08607	41.6
109.06534	2.3
109.10156	11.3
111.08079	2.3
111.11761	1.8
117.07049	2.4
119.08599	30.0
121.06531	4.3
121.10139	21.7
123.08100	2.5
123.11720	7.8
125.09673	1.2
131.08614	8.5
133.10144	24.3
135.08070	14.8
135.11702	26.7
137.06087	1.2
137.09691	2.2
137.13251	2.7
139.11234	1.8
143.08636	2.1
145.10150	7.8
147.08064	1.4
147.11714	15.2
149.09648	11.1
149.13313	4.2
151.11208	2.5
157.10179	3.4
159.08110	1.2
159.11749	4.1
161.09674	2.2
161.13309	5.7
163.07549	9.1
163.11189	2.7
163.14844	31.2
163.16113	2.0
165.09184	1.4
171.11732	2.6
173.09770	1.6
173.13330	2.6
175.11214	2.3
175.14891	2.9
177.16475	4.9
183.11681	1.4
185.13387	2.2
187.14923	5.6
189.16406	55.7
190.16791	1.9
191.10719	1.5
191.14310	1.8
191.18111	1.9
197.13353	1.7
199.11163	1.3
199.14876	1.4
201.12784	2.1
201.16443	3.2
205.15884	21.2
207.17470	60.1
208.17786	1.5
210.74352	1.2
213.16273	1.4
215.14436	2.9
217.16016	1.9
219.17622	1.5
227.18100	1.8
229.16008	1.7
231.17540	1.4
233.15395	100.0
234.15694	1.8
239.94481	1.2
243.17589	2.3
249.18655	2.3
251.16457	6.9
261.18616	4.2
285.22144	1.2
303.23291	1.7
314.50464	1.4
315.23151	2.8
419.33496	2.4
437.34433	7.7
455.35428	61.2
456.35754	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	455.3524
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15479	3.1
55.05507	6.6
57.07086	4.8
58.44215	4.6
60.12836	3.7
67.05492	23.0
69.03443	3.9
69.07076	19.6
70.40563	6.3
79.05496	15.0
81.07066	33.8
83.04986	4.4
83.08627	8.2
91.05483	15.4
93.07040	32.7
95.08618	49.3
97.10149	6.0
105.07032	28.8
107.08606	46.6
109.06505	5.9
109.10158	31.6
119.08590	60.5
121.10151	34.6
123.11711	8.5
131.08582	14.9
133.10107	31.6
135.11684	29.7
137.09540	4.1
143.08585	7.0
145.10124	47.0
147.11670	22.7
149.13264	11.4
154.68286	3.5
157.10126	6.5
158.10962	4.2
159.08029	4.4
159.11734	30.8
161.09712	4.0
161.13284	16.6
163.07603	6.6
163.14815	10.9
171.11667	10.2
173.13264	24.1
174.37643	3.6
175.14824	16.5
177.16409	5.7
185.13278	7.8
187.14825	38.4
189.16386	19.9
191.17940	53.0
197.13258	4.9
198.81805	3.3
199.14864	11.4
201.16437	39.2
203.18044	19.0
205.15912	7.8
207.17545	4.7
213.16544	4.3
215.14459	4.3
215.17853	4.1
217.19473	9.7
219.13875	4.7
227.17908	4.6
229.16040	3.6
233.15384	45.0
247.16925	37.1
291.19403	11.6
362.99466	4.0
409.34753	7.9
437.34338	30.2
454.92972	4.1
455.24057	100.0
455.35886	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	455.3524
Annotation	Krukovine A
Peak:m/z	Relative Intensity
53.03928	1.2
55.05510	4.5
57.07065	2.1
59.05006	1.8
62.57613	0.9
67.05512	7.7
69.03426	2.4
69.07082	8.3
70.55167	1.0
71.01289	2.5
79.05495	4.8
81.07061	15.9
82.72773	1.2
83.08622	3.7
89.95107	1.0
91.05453	6.7
91.46529	1.0
93.07050	12.1
95.04994	1.9
95.08617	23.4
97.06550	2.5
97.10184	2.2
99.08131	1.3
105.07043	10.3
107.08605	23.3
109.06529	1.7
109.10153	13.1
111.08060	1.5
111.11794	1.3
117.07026	2.7
119.08593	22.2
121.06534	4.0
121.10161	17.3
123.08060	2.8
123.11710	5.9
131.08559	4.0
133.10147	17.1
135.08063	4.7
135.11684	16.8
137.09637	2.4
137.13255	4.3
140.84215	1.1
142.07742	1.4
143.08607	2.5
145.10129	10.2
147.08011	2.2
147.11691	10.4
149.09662	1.8
149.13271	6.1
151.11220	1.9
152.96960	1.0
155.08633	1.4
157.10161	3.2
159.08092	1.7
159.11714	7.4
161.09660	3.1
161.13269	5.1
161.23177	1.2
163.07501	1.5
163.14848	4.2
169.10170	2.5
171.11728	4.8
172.12552	1.1
173.09683	2.0
173.13286	5.0
175.11218	7.7
175.14799	3.4
177.12709	1.5
177.16457	1.3
178.09952	1.1
183.11594	1.7
184.12555	1.4
185.13326	2.9
187.11180	3.4
187.14778	8.6
189.12819	1.3
189.16379	19.6
191.14281	1.3
191.17961	3.1
197.13223	3.6
199.14915	2.1
201.16388	2.6
203.14359	1.6
203.17995	2.8
205.15846	2.0
205.19505	1.7
207.17455	20.2
211.14789	1.2
213.12866	2.1
213.16452	1.7
215.14337	14.2
217.15875	2.0
217.19478	2.2
227.14354	1.5
227.17953	1.2
229.15988	4.2
231.17494	2.1
233.15399	8.5
243.17590	2.0
247.17017	2.6
255.21121	1.8
299.20361	1.2
323.27377	1.2
341.28448	2.0
385.27246	1.4
393.31723	1.8
395.32990	1.6
397.31079	21.9
398.31644	1.3
409.35162	1.3
419.33121	8.0
437.34204	85.2
438.34464	4.5
455.35245	100.0
456.35721	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	455.3521
Annotation	Krukovine A
Peak:m/z	Relative Intensity
51.60667	0.8
53.03949	1.5
55.05514	5.5
56.81569	0.8
57.03448	1.5
57.07073	2.9
57.53048	0.8
62.88520	0.9
65.64799	0.8
67.05512	7.4
69.03427	1.9
69.07067	6.7
69.37117	5.8
71.05001	1.3
71.08602	0.9
79.05499	5.5
81.07060	19.2
83.04972	1.6
83.08616	4.1
85.06539	1.6
91.05465	7.3
93.07048	17.4
95.04961	3.2
95.08606	23.2
95.87788	0.9
96.08972	0.8
97.01215	0.8
97.06570	3.5
97.10152	1.1
99.08099	2.8
105.07032	16.4
107.04970	2.3
107.08597	27.7
109.06534	3.4
109.10171	13.7
110.10430	0.9
111.08101	2.7
117.07017	2.2
119.08589	32.2
121.06502	4.1
121.10149	14.2
123.08080	2.5
123.11697	8.9
125.06001	9.0
125.09608	1.2
129.07092	1.1
131.08563	7.1
131.09494	0.9
133.06546	1.1
133.10138	30.3
135.08080	6.6
135.11694	29.5
137.06024	0.9
137.09660	3.4
137.13269	2.8
139.07524	5.3
139.11125	1.4
142.07811	1.1
143.08585	4.2
145.10136	15.7
147.08058	1.6
147.11693	19.5
149.09668	2.8
149.13278	7.4
151.11165	4.7
157.10103	5.5
159.08101	3.5
159.11711	7.4
161.09656	3.5
161.13234	7.2
163.11282	1.5
163.14790	8.7
165.09108	1.2
169.10139	2.7
171.11700	4.7
172.12440	1.0
173.09659	8.3
173.13332	3.9
175.11218	8.5
175.14844	2.7
177.09085	5.5
177.12753	1.0
182.10880	1.7
183.11761	2.2
185.09676	0.9
185.13330	3.4
187.11188	14.5
187.14807	13.7
189.16386	58.0
190.16806	0.9
191.10620	6.3
197.13176	4.6
199.14841	3.4
200.11839	1.0
201.12859	1.9
201.16470	0.9
203.14397	1.3
203.18048	2.3
205.15887	5.3
205.19669	1.5
207.17442	97.8
208.17802	1.6
211.14848	4.2
213.16469	2.6
214.13539	1.0
215.14322	19.7
215.17715	1.1
217.15959	2.0
219.17552	1.3
229.15883	100.0
230.16312	2.7
231.17445	13.9
233.15372	37.1
237.16356	1.1
239.17914	1.2
243.17458	7.0
247.16946	36.6
249.18678	1.3
257.19150	3.7
267.21103	0.9
271.20682	1.1
283.20602	5.6
285.22058	1.3
297.22037	1.5
315.23135	1.2
419.33063	5.2
437.34238	38.5
438.34406	1.9
455.35318	96.1
456.35516	2.4
470.45294	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	455.3522
Annotation	Melilotigenin B
Peak:m/z	Relative Intensity
55.05503	2.5
57.07073	1.2
57.31315	0.8
61.55336	0.7
67.05499	3.4
69.07078	5.7
69.82678	2.0
69.83069	1.7
79.05490	2.2
81.07056	8.0
82.98724	0.7
83.08621	3.0
91.05486	2.2
93.07069	3.6
95.05010	0.7
95.08609	13.5
97.10166	1.4
105.07030	5.6
107.08596	9.5
109.06518	1.2
109.10183	5.8
109.29154	0.6
111.08102	1.1
111.11720	1.5
119.08572	5.9
121.06490	1.3
121.10140	6.3
123.08076	1.4
123.11694	4.0
131.08556	4.0
133.10144	8.3
135.08080	2.1
135.11700	3.4
137.09604	0.9
137.13269	2.9
137.32590	0.7
137.53485	0.7
143.08554	1.4
145.10106	5.5
145.93446	0.7
147.08138	1.4
147.11668	4.8
149.09604	1.0
149.13260	2.4
157.10156	2.8
159.11723	3.8
161.09647	1.2
161.13269	2.5
163.11183	1.4
169.10152	1.3
171.11696	2.2
173.09662	1.2
173.13271	7.0
175.11150	2.0
175.14833	1.9
177.16367	1.3
177.24393	0.8
183.11710	1.5
185.13286	2.7
187.14839	3.0
189.16289	0.9
191.14325	2.6
191.17986	1.2
197.13181	0.8
199.14911	1.5
201.16531	0.9
203.17867	1.0
205.19585	0.7
207.11794	0.8
211.14735	1.9
213.12837	1.1
215.14282	1.9
217.15852	1.0
217.19479	0.7
219.13690	3.7
219.17218	0.7
221.13310	0.8
223.14932	0.8
225.16336	0.9
229.19411	0.9
231.17564	1.7
237.16449	1.1
253.19539	0.9
257.22797	0.9
263.17978	2.1
269.15475	1.2
281.19070	1.7
283.16974	1.2
299.19901	1.1
316.78046	0.8
367.29883	1.5
383.01529	0.7
419.33148	4.7
420.14417	0.8
437.34171	100.0
438.34445	4.6
455.35175	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	455.3527
Annotation	Betulonic acid
Peak:m/z	Relative Intensity
55.05507	2.2
57.07069	1.2
64.48293	0.5
67.05518	2.8
69.07079	4.2
69.39125	1.0
69.39532	3.1
79.05504	1.8
79.44716	0.5
79.46217	0.6
81.07062	5.5
83.05014	0.7
83.08633	1.9
88.07644	0.6
88.47176	0.6
91.05479	2.5
93.07062	4.3
95.05021	0.6
95.08625	11.6
97.06547	0.9
97.10201	0.9
98.21638	0.6
99.08092	0.7
105.07059	5.5
107.08607	6.3
109.06525	2.2
109.10166	7.1
111.08087	0.9
111.11739	1.2
119.08601	7.1
121.06520	1.9
121.10148	7.5
123.08109	1.3
123.11742	3.0
124.03550	0.5
124.95233	0.4
131.08591	2.4
133.10156	6.2
135.08083	1.5
135.11725	3.8
137.09616	0.7
137.13235	2.8
143.08614	2.5
145.10124	4.5
147.11682	3.5
148.21892	0.5
149.09686	1.1
149.13281	2.4
151.11169	0.6
157.10182	2.1
158.10942	1.4
159.08078	0.7
159.11676	3.1
161.09654	1.8
161.13245	2.4
163.11203	0.9
163.14842	1.2
171.11681	1.3
173.09641	0.9
173.13277	11.1
175.11226	1.0
175.14857	2.1
177.12738	0.9
177.16411	1.1
183.11800	0.7
185.09700	0.6
185.13318	1.7
187.14819	3.1
189.12840	0.6
189.16452	2.2
191.14359	1.1
191.17982	2.1
195.11978	0.5
197.13313	1.6
199.14859	1.7
201.16400	1.2
203.17986	1.2
205.15941	1.3
207.31995	0.5
209.13234	0.5
211.14726	0.6
213.12791	1.5
213.16458	1.3
215.14339	0.9
215.17967	1.1
225.16513	0.6
227.14340	1.1
227.17908	0.6
229.15985	0.5
229.19756	0.6
231.13774	0.6
231.17455	1.2
233.15439	3.1
238.16808	0.7
245.19160	0.6
247.17026	0.7
247.20689	0.8
255.21286	0.6
263.17847	0.5
273.22113	0.7
299.20425	0.5
323.44217	0.5
353.88995	0.5
400.29224	0.5
409.34885	0.5
419.33209	2.3
437.34271	13.4
455.35297	100.0
456.35495	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	455.1344
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00298	10.3
53.03945	2.7
55.01880	6.7
55.05507	6.4
57.03451	15.4
57.12714	2.0
61.02927	2.5
63.02870	2.0
65.03938	2.6
67.05513	5.5
69.03441	35.6
69.07092	4.8
70.48716	8.2
71.01353	8.4
71.28415	2.2
73.02907	3.0
79.05489	5.4
81.07069	3.3
85.02922	30.2
87.00838	21.0
89.02409	56.3
91.05495	75.6
93.07052	4.8
95.01347	9.5
95.05009	3.6
95.08611	6.1
97.02908	56.7
97.10196	2.3
99.00827	42.8
103.03963	4.3
103.05487	43.3
105.01871	4.4
105.03371	3.7
105.07050	5.2
107.08617	5.7
109.10175	4.6
113.02394	12.5
115.00334	3.6
115.03926	6.3
117.07010	3.4
119.08606	3.8
121.10179	5.3
129.07048	13.4
131.03391	4.6
131.04935	12.6
131.08580	2.1
133.10136	2.8
141.01839	12.3
141.06967	3.4
147.11763	3.2
151.07533	4.5
159.02910	25.6
159.11717	2.3
163.14943	2.1
165.07005	19.4
165.09206	7.0
166.07816	41.4
179.08614	7.3
181.10146	100.0
189.07106	2.0
189.09103	4.5
190.07793	9.3
191.08543	11.8
202.07744	4.1
203.08563	10.5
204.09351	8.2
204.70334	2.3
205.10161	59.1
205.12044	4.5
215.08609	63.3
215.10654	4.7
218.07280	2.6
229.03523	6.7
233.09647	68.9
234.10164	3.1
243.08156	6.3
257.02902	15.9
261.09137	32.1
275.04041	8.2
279.10175	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	455.3523
Annotation	Melilotigenin B
Peak:m/z	Relative Intensity
55.01866	1.0
55.05523	7.2
57.07078	4.2
61.72720	0.8
62.31928	0.9
67.05232	0.8
67.05516	8.6
69.03426	2.5
69.07076	13.7
69.52152	6.5
70.75559	0.8
71.04977	1.1
71.08630	1.4
79.05515	6.5
81.07069	17.7
83.04972	1.6
83.08631	6.4
85.06533	1.3
91.05497	4.9
93.07050	9.4
95.04967	1.3
95.08617	27.2
97.06530	3.0
97.10138	2.9
105.07040	8.1
107.04953	1.6
107.08608	18.2
109.06544	2.3
109.09472	1.5
109.10165	17.9
111.08064	1.4
111.11713	2.6
117.07040	2.8
119.08592	9.2
121.06489	2.9
121.10151	15.4
123.04482	0.9
123.08049	2.5
123.11729	8.0
125.09557	2.1
131.08578	5.5
133.06511	1.2
133.10139	11.6
135.08067	4.8
135.11684	10.7
137.09657	2.2
137.13260	7.0
143.08551	2.9
145.10132	7.1
147.08057	2.0
147.11682	7.2
149.09618	3.5
149.13266	5.8
151.07529	0.9
151.14897	1.4
153.09114	1.1
157.10120	4.2
159.11717	5.7
159.44183	0.8
161.09673	4.3
161.13275	4.7
163.11154	2.1
163.14862	4.7
165.12653	1.1
169.10098	2.0
171.11667	3.0
173.09708	1.3
173.13242	4.5
175.11304	1.2
175.14810	3.7
177.16386	2.2
180.89053	0.9
183.11705	2.2
185.13211	2.2
187.11334	1.0
187.14804	3.3
189.09132	1.4
189.12794	2.6
189.16423	4.0
191.14322	7.6
191.17978	3.9
197.13277	1.8
199.11263	1.0
199.14828	1.5
201.12761	2.0
201.16353	2.1
203.14354	1.8
203.17979	3.3
205.15935	2.2
205.19484	2.2
209.13388	1.2
215.14275	0.9
215.17880	2.1
217.15892	2.0
217.19582	2.0
219.13916	1.1
219.17480	2.4
227.18039	1.3
231.13847	1.9
231.17493	2.0
233.15329	1.7
233.18994	1.2
243.17589	1.3
245.18916	1.2
257.18930	1.1
259.20718	1.2
263.66037	1.0
271.20670	1.3
273.22202	1.5
285.18427	1.1
285.22076	1.4
299.20221	2.1
315.23126	1.1
353.28635	1.0
395.33090	15.0
405.07083	1.0
409.34918	4.5
419.32913	2.6
437.34195	100.0
438.34760	4.5
455.35144	37.2
456.35266	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.134
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00317	12.6
53.03941	3.9
55.01875	9.3
55.05509	4.8
57.03446	13.7
63.81659	1.7
65.03939	2.7
67.05496	6.7
69.03098	2.4
69.03439	40.3
69.07062	5.7
69.23296	1.9
70.68708	6.2
71.01350	8.2
73.02909	5.5
79.05490	5.3
81.03442	3.5
81.07051	12.1
83.01302	2.9
83.04996	3.6
83.08617	2.3
83.86985	1.7
85.02909	33.5
85.06547	2.8
87.00834	28.4
89.02406	50.7
91.05492	74.8
92.05824	2.1
93.07038	7.6
95.01329	8.8
95.04992	5.7
95.08617	10.0
97.02898	50.2
97.10172	4.9
99.00207	3.4
99.00829	49.7
103.03986	4.8
103.05475	65.8
105.07034	7.8
107.04946	2.4
107.08604	11.4
109.02848	2.3
109.06544	2.2
109.10138	6.9
113.02389	19.0
115.00282	5.8
115.03955	6.3
115.05453	2.4
117.01873	2.7
117.07021	5.3
119.08572	7.0
121.10148	8.7
123.08073	2.8
123.11719	1.8
125.09626	2.8
127.03909	3.1
129.07019	9.4
131.03400	3.9
131.04941	46.7
133.10132	7.5
135.08035	3.4
135.11690	2.7
137.09601	2.6
139.21768	2.0
141.01860	13.0
141.06978	4.0
143.08566	2.8
145.10176	4.6
147.11681	4.3
149.13243	2.9
151.07541	5.2
153.07031	3.5
157.06435	2.1
157.10173	3.1
159.02902	23.6
159.11679	3.8
161.05986	2.2
161.13240	2.8
163.11160	2.3
165.07021	21.8
165.09131	12.2
165.12727	2.4
166.07806	44.3
173.09618	2.4
175.11214	3.2
177.04018	2.0
177.09116	2.5
178.07791	3.2
179.08568	9.0
181.10139	100.0
182.10538	5.0
189.12675	2.6
190.07758	6.7
191.08760	10.1
191.10619	10.4
193.10152	2.4
202.07797	3.1
203.08562	9.7
203.10457	3.5
204.09402	10.4
205.10150	60.2
205.12041	3.1
207.13797	15.5
215.08582	68.0
215.10654	4.8
218.07448	2.3
229.03474	6.4
233.09633	65.2
243.07988	9.8
257.02945	13.3
261.09186	27.9
261.11774	4.0
275.04022	13.7
279.10165	6.7
293.17340	9.6
314.20419	2.3
376.18457	2.0
451.18835	2.1
455.22501	4.6
455.31830	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	455.1164
Annotation	Unknow
Peak:m/z	Relative Intensity
63.85384	0.6
67.05510	0.7
69.03431	1.3
69.25705	5.2
70.06595	0.9
72.08186	0.8
80.07094	0.6
81.03417	0.6
84.08171	0.7
85.02898	2.2
90.94894	0.6
91.05459	0.6
93.07059	0.6
95.08546	0.6
97.02895	0.9
110.06023	0.7
123.04427	1.0
127.03949	1.2
135.04410	0.9
136.07556	0.9
137.06030	0.8
139.03922	1.1
147.04419	2.8
148.04747	0.8
163.03914	4.1
167.07031	2.4
185.04297	1.1
189.05373	0.7
191.03323	0.8
206.05521	7.0
207.06310	10.3
216.44505	0.6
227.05338	3.1
241.01981	0.7
247.14526	0.7
271.04211	4.3
275.14020	1.5
293.11719	1.3
293.14893	1.5
369.11588	6.7
393.11655	1.1
411.12659	35.1
420.12717	0.9
455.11642	100.0
455.22031	6.5
456.11987	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	454.2932
Annotation	16:0 LYSO-PE
Peak:m/z	Relative Intensity
55.05521	2.9
57.03442	3.3
57.07080	23.1
62.06093	24.7
67.05505	5.1
69.07070	3.4
70.01010	2.2
70.01427	1.1
71.08636	17.2
71.85259	0.6
81.07059	6.2
82.92264	0.6
83.08612	4.8
85.10188	9.1
87.44398	0.6
89.06061	0.8
95.08616	8.5
97.10185	2.3
98.98468	6.0
99.11739	0.8
109.10172	4.6
111.11737	0.6
119.43733	0.5
123.11697	2.0
124.01588	1.5
132.93031	0.7
137.13245	0.7
142.02605	1.3
155.01053	7.1
173.02177	0.6
198.05319	1.0
216.06274	2.6
239.23700	2.0
282.27939	11.0
282.42404	0.6
313.27371	100.0
314.27695	2.6
348.39374	0.7
393.24023	5.3
436.28098	1.9
454.29233	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2934
Annotation	16:0 LYSO-PE
Peak:m/z	Relative Intensity
55.05510	5.2
57.03449	9.5
57.07084	29.0
58.94688	1.3
67.05508	7.5
69.07073	8.8
71.08626	19.6
71.08945	2.6
72.33464	1.4
81.07060	9.5
83.08632	5.4
85.10197	11.3
87.22184	1.6
88.07621	2.4
89.06043	2.2
91.05498	1.8
93.07064	4.0
93.99366	1.6
95.08614	15.3
96.08901	1.7
97.10194	2.4
107.08626	3.7
109.10151	6.9
119.08549	3.8
121.10180	1.7
123.11735	2.5
136.78232	1.6
147.11725	3.1
154.28590	2.0
173.13222	1.5
181.06505	5.2
225.09106	6.1
225.65477	1.5
256.26340	7.8
282.27908	9.1
313.27411	100.0
314.27551	3.1
454.33694	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	453.3366
Annotation	Stellettin J
Peak:m/z	Relative Intensity
53.03936	1.5
55.05508	5.0
57.07059	1.3
60.50318	1.2
67.05505	9.2
68.08237	1.4
69.03444	1.9
69.07082	8.4
71.52405	1.1
79.05508	6.3
81.07073	12.8
83.05006	1.7
83.08627	3.3
85.52531	1.6
85.86224	1.1
88.22547	1.3
91.05498	4.5
93.07060	13.1
95.08620	17.6
95.54247	1.4
97.06528	3.0
97.10160	1.6
99.08096	3.7
99.57979	1.2
100.11261	2.2
105.07040	10.8
107.08615	18.1
109.06517	3.2
109.10171	13.0
111.08087	2.3
111.11704	1.3
117.07020	3.3
119.08581	16.4
121.06481	2.7
121.10172	15.0
123.08112	3.4
123.11749	4.1
125.06053	6.0
129.06941	1.2
131.08580	5.5
133.10117	13.6
135.08073	5.8
135.11726	5.6
137.13287	2.2
139.07550	7.0
143.08556	3.7
145.10143	13.9
147.08104	1.8
147.11707	7.2
149.09619	4.3
149.13313	3.3
150.72319	1.2
153.09192	1.4
155.08539	1.4
157.10170	3.6
159.08130	2.8
159.11719	5.7
161.09683	3.9
161.13283	5.8
163.11179	26.1
163.14893	3.7
169.10187	3.1
171.11740	5.4
173.09628	6.4
173.13307	5.2
175.11218	8.2
175.14861	3.5
177.09134	4.4
177.16408	3.6
179.10779	1.7
183.71512	1.3
185.13344	1.5
187.11198	6.5
187.14844	11.5
189.16426	7.6
191.10722	3.3
197.13304	4.8
199.14989	2.1
201.12804	1.7
201.16306	1.9
205.15887	45.3
207.17558	2.0
211.14816	3.1
213.16406	1.3
215.14330	11.6
215.18022	1.9
217.16029	1.8
219.17461	2.6
223.15150	1.4
227.14395	1.4
229.15886	33.6
230.16273	1.9
231.17477	3.2
233.13364	1.0
233.15396	28.8
243.17503	4.4
247.16922	8.9
257.18958	2.0
269.19083	1.5
297.22150	1.4
407.33249	2.8
417.31567	3.0
422.34006	1.6
435.32657	26.5
436.32886	1.8
453.33783	100.0
454.34061	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	453.3364
Annotation	Stellettin J
Peak:m/z	Relative Intensity
55.05514	19.1
57.07072	5.9
60.90329	3.9
67.05511	28.8
69.07079	20.9
71.04974	4.3
71.24777	4.9
79.05501	24.7
81.07071	51.0
83.08627	13.4
91.05492	29.2
93.07053	53.7
95.08614	95.4
97.06564	6.4
97.10184	5.0
100.11257	4.0
105.07047	54.3
107.08605	94.3
109.10161	52.5
111.08094	7.2
111.11732	4.5
117.07018	8.7
119.08588	100.0
121.10160	69.2
123.08058	11.7
123.11720	14.4
125.09638	9.8
129.06966	4.9
130.31216	4.4
131.08565	28.9
133.10144	65.0
135.08060	45.5
135.11697	46.2
137.09641	10.0
137.13240	4.9
139.07516	9.3
143.08566	11.4
145.10132	59.6
147.08086	5.9
147.11717	49.9
149.09628	12.7
149.13281	23.9
151.11201	6.8
156.09378	4.8
157.10127	23.3
159.11696	50.6
161.09668	11.3
161.13290	33.7
163.11197	20.2
163.14767	21.9
165.09155	6.0
171.11714	20.2
173.13257	52.6
175.11232	28.8
175.14827	27.1
177.12766	15.7
177.16353	9.7
183.11703	8.9
185.13228	13.3
187.14810	46.9
189.12811	9.2
189.16389	46.7
191.14378	10.1
193.15894	6.3
197.13324	5.0
199.14900	14.4
201.12721	5.8
201.16403	29.0
203.14325	20.0
203.17996	14.3
205.15915	23.6
207.13806	6.7
211.14781	7.6
213.16368	17.0
215.14394	6.4
215.18011	11.4
217.15875	13.1
217.19456	5.9
219.13759	6.8
219.17506	8.1
221.15387	9.2
227.18044	10.2
229.15788	7.8
231.17400	28.5
233.15355	17.7
233.18834	5.4
235.16966	18.6
239.18036	7.0
241.19522	7.2
243.17480	7.4
245.18987	11.5
247.16888	8.0
259.20609	18.8
262.20148	4.2
271.20493	5.4
351.11612	4.9
389.31778	6.8
407.33124	61.2
408.33002	4.5
409.34610	7.7
417.31302	13.3
435.32764	58.3
453.33746	98.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.3368
Annotation	Stellettin J
Peak:m/z	Relative Intensity
55.05505	16.3
57.07072	5.3
57.44043	4.7
67.05510	26.0
69.07067	20.1
70.65676	5.9
70.65992	10.1
75.61135	4.7
79.05482	13.5
81.07063	50.0
83.08134	4.9
83.08606	13.2
91.05490	19.1
93.07069	32.2
95.08631	47.3
97.06578	8.7
98.21393	6.0
100.11233	5.3
105.07046	44.5
107.08612	53.5
109.06519	8.3
109.10168	50.8
111.08121	5.9
117.07049	8.0
119.08581	48.7
121.06441	6.6
121.10162	40.3
123.11671	9.2
131.08563	21.2
133.10152	57.4
135.08054	5.3
135.11696	20.3
137.09598	8.1
143.08539	12.2
145.10129	34.5
147.11702	27.2
149.09627	5.4
149.12172	5.3
149.13284	17.8
153.99562	5.4
155.08473	6.7
157.10126	18.6
159.11742	34.5
161.13292	28.0
163.11121	6.2
163.14832	25.3
171.11681	13.7
173.13286	34.1
175.14839	20.8
177.16402	17.2
179.10612	6.8
183.11713	8.2
185.13214	13.2
187.14824	29.6
189.12746	7.3
189.16368	15.2
195.11652	6.0
197.13245	9.0
199.14810	11.5
201.16367	39.6
203.14308	7.5
203.17995	11.3
207.13831	6.3
213.16438	8.5
215.17953	11.9
217.12184	5.3
221.15393	10.9
227.17947	11.0
229.19524	7.1
231.17384	5.8
243.21077	10.1
245.19060	10.0
247.16940	7.0
255.00751	5.0
307.23544	5.2
407.33127	53.6
435.33099	25.1
453.34088	100.0
454.33496	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	453.3367
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13811	2.7
55.05503	13.4
57.07066	6.0
67.05505	26.4
69.07066	15.5
69.45314	5.4
69.45716	19.0
71.05003	4.8
79.05491	14.2
79.87259	2.6
81.07063	42.9
83.04977	4.8
83.08617	13.3
91.05486	24.4
93.07050	37.3
95.04983	5.1
95.08610	66.8
97.06551	5.0
97.10133	3.4
105.07036	42.1
107.08606	56.2
109.06536	3.8
109.10159	39.8
111.08096	5.8
117.07012	9.3
119.08588	100.0
121.06499	4.7
121.10153	43.2
123.08128	6.2
123.11701	12.8
125.09696	5.3
131.08568	25.6
133.10132	36.7
135.08047	12.0
135.11711	25.4
137.09627	6.0
137.13274	3.9
142.07790	3.4
143.08566	9.4
144.09354	5.3
145.10135	93.6
147.11665	35.6
149.09593	4.7
149.13254	11.3
151.11157	5.2
155.08632	3.5
156.09412	4.0
157.10146	12.4
158.10863	6.0
159.11705	53.4
161.09650	6.2
161.13254	38.8
163.07561	4.2
163.11206	11.5
163.14853	17.7
165.12735	5.5
169.10132	4.1
171.11684	13.2
173.13281	62.9
174.05193	2.8
175.11180	13.2
175.14853	24.8
177.12740	8.8
177.16400	8.0
179.14340	3.6
183.11714	5.5
185.13310	17.5
187.14842	80.5
189.12700	4.2
189.16388	22.0
191.14317	6.3
193.12233	6.3
197.07993	3.2
197.13310	7.2
199.14783	10.5
200.14874	3.1
201.16365	31.1
203.14368	6.5
203.18018	7.2
205.12187	7.2
205.15886	25.9
207.13803	8.7
213.16423	7.4
215.14354	4.6
215.17870	6.6
217.15863	4.7
219.13840	26.2
219.17366	10.6
221.15379	4.9
223.14922	3.6
225.16391	4.9
229.15775	4.9
229.19456	4.4
231.13956	3.5
231.17400	8.0
233.15379	81.8
235.17007	7.9
243.17331	3.8
245.18918	4.8
247.16939	25.9
253.19556	4.7
257.19034	4.4
259.20609	4.0
261.18237	3.2
271.20560	3.9
285.22131	3.9
310.20255	2.8
313.25177	11.8
389.32007	5.0
407.33118	71.4
408.33621	3.4
435.32855	19.1
453.33926	50.1
455.22064	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.336
Annotation	Stellettin J
Peak:m/z	Relative Intensity
55.05514	7.3
57.07072	3.9
64.65031	1.3
67.05512	7.6
69.07071	11.3
73.06551	1.5
78.72236	1.5
79.05475	3.8
81.07059	14.5
83.04988	3.2
83.08617	3.1
89.06040	6.1
91.05474	2.8
93.07043	6.1
94.73394	1.6
95.08611	22.3
97.10152	1.5
100.11256	8.8
104.94558	1.4
105.07026	5.9
107.08603	9.9
109.06466	1.5
109.10154	8.9
111.11773	1.6
117.07014	1.9
119.08559	11.3
121.10144	6.4
123.11702	2.2
131.08588	3.5
133.08621	3.1
133.10130	9.2
135.08057	4.2
135.11696	5.1
137.13272	7.6
143.08546	2.2
145.10127	6.5
147.08060	2.8
147.11674	4.8
149.09634	3.1
149.13240	4.2
157.10143	5.1
159.11690	4.0
161.09616	3.8
161.13235	8.4
169.10097	2.0
171.11707	4.6
173.09666	1.9
173.13319	3.4
175.11221	2.2
175.14867	3.1
182.15414	3.3
185.13277	3.3
189.12740	5.2
197.09621	1.5
197.13252	1.4
200.16132	1.4
201.16374	1.6
203.14352	2.2
209.13275	1.9
209.16525	2.5
210.14909	3.3
211.14841	2.2
213.16422	1.8
215.14253	1.7
217.12248	10.2
226.19159	1.9
227.14339	5.1
229.07219	1.8
231.13875	3.5
237.16499	2.1
239.14751	2.0
240.15274	1.4
251.18048	1.9
267.13589	1.9
279.17447	2.5
294.57910	1.5
297.18481	1.7
417.62576	1.4
435.32648	100.0
436.33124	5.1
453.20883	2.5
453.33765	73.8
454.34277	2.2
454.97568	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.2348
Annotation	Unknow
Peak:m/z	Relative Intensity
57.04542	0.7
61.02925	0.6
65.03942	0.5
69.03421	0.7
70.06591	0.4
70.21667	0.8
70.22072	1.1
72.07821	0.4
72.08163	6.6
73.93269	0.3
74.07195	1.4
85.02901	1.9
89.10786	1.0
91.05486	6.0
97.02893	0.7
97.07654	1.1
98.06024	0.7
109.02861	0.5
114.10299	5.8
119.04953	17.3
119.49278	0.3
120.08103	0.4
123.04465	1.9
127.03904	1.0
128.11852	13.1
129.10228	1.4
136.07544	0.3
139.03934	1.8
145.14482	0.8
147.04420	100.0
148.04770	1.3
160.07610	1.2
163.03938	0.8
165.05444	0.4
167.91696	0.3
217.13380	4.4
218.11754	6.1
234.99075	0.7
235.14488	1.1
260.11609	0.4
260.13867	1.9
274.15613	1.5
291.18195	4.5
321.91605	0.4
350.63043	0.4
369.75757	0.4
374.56708	0.4
397.19882	0.9
436.21011	1.5
438.99902	0.3
453.23550	63.2
454.23788	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1734
Annotation	3,4,5-Trimethoxy-3',4'-dithoxybibenzyl 3'-O-glucoside
Peak:m/z	Relative Intensity
53.03933	0.7
53.25818	0.4
55.05490	1.5
57.03437	0.5
67.05500	0.9
67.28179	0.5
69.03418	1.3
71.52200	0.8
81.07054	1.1
83.04971	0.5
83.08564	0.4
85.02918	1.3
85.06499	0.5
91.05455	1.3
93.07011	1.1
95.04962	0.9
95.08582	1.9
97.02866	0.9
97.10142	0.6
100.11208	0.9
103.05487	4.5
105.07037	1.0
107.08583	0.7
109.10146	0.7
111.04420	0.6
113.02173	0.5
119.08587	1.0
123.04470	0.4
129.06987	0.6
131.04030	0.8
131.04941	9.7
131.08516	0.6
133.10118	0.8
135.11659	0.7
137.05966	0.6
137.71564	0.5
138.09157	0.9
141.01814	0.9
145.10158	0.9
147.04436	2.3
147.11734	0.5
157.10185	0.5
159.11765	0.5
165.09056	0.7
185.04192	0.6
203.05309	3.4
209.16266	0.5
219.50166	0.5
229.12036	4.4
231.09770	0.6
247.12906	0.7
273.11053	1.3
291.12057	20.2
291.15369	1.2
291.75061	0.5
292.12497	0.8
358.64661	0.5
409.18570	0.8
451.19666	0.5
453.17172	100.0
454.17429	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	451.3572
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08466	1.7
55.05511	3.7
57.07083	21.1
60.94286	1.4
67.05487	4.7
69.07059	7.1
71.08629	16.0
71.18459	3.2
81.07073	7.8
83.08617	5.7
85.10182	7.9
91.05476	1.8
93.07062	2.0
95.08598	8.7
97.10171	4.7
98.21100	2.6
105.03384	12.0
107.08601	1.7
109.10178	3.2
111.11757	2.3
115.05495	1.9
123.11712	2.2
128.06200	2.6
129.07002	5.7
131.08615	7.8
133.02858	6.1
141.07002	4.7
143.08571	4.1
145.06575	2.5
147.04416	3.0
153.07014	4.2
154.07751	1.7
155.08600	4.1
157.06509	9.1
157.10162	2.7
159.04407	2.5
159.08043	9.5
161.06012	4.9
165.07008	3.6
166.07716	2.0
167.08606	4.3
169.09952	1.6
171.08066	17.5
173.06029	2.3
179.08557	1.8
181.06512	4.6
181.10162	4.8
183.08144	2.7
185.06253	1.6
185.09633	20.3
187.07555	100.0
194.07333	2.1
195.08128	4.8
195.11798	2.2
196.08786	2.5
197.09634	13.2
197.87047	1.8
198.06737	3.0
199.07570	16.5
199.11322	3.9
208.08871	3.7
209.09642	5.5
211.11165	8.6
212.08340	2.0
213.09113	11.6
222.10420	1.7
223.11221	5.9
225.09250	3.0
225.12802	6.6
227.10680	9.8
237.12790	5.0
239.14287	2.2
241.12212	10.0
255.13741	2.1
269.15274	1.8
278.26248	1.5
297.18237	2.2
311.20074	2.7
325.21652	1.8
350.51111	1.6
393.31409	2.0
433.34650	5.0
436.33609	2.5
451.35742	51.3
452.36292	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	452.35
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05031	0.7
58.06608	0.9
60.08169	13.1
69.07063	0.4
69.25751	2.6
71.07379	4.2
82.58587	0.3
83.08640	0.4
86.09713	25.4
98.98470	3.2
104.10751	100.0
105.07027	0.3
105.11073	0.4
107.08672	0.3
125.00014	19.8
129.37746	0.3
136.20828	0.3
159.08090	0.3
175.83771	0.3
184.07359	23.6
249.14842	0.3
294.81650	0.3
321.71246	0.3
389.71405	0.3
452.35074	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	453.1372
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	4.6
55.01871	7.5
55.05537	3.3
56.96565	43.1
57.03448	18.6
61.02932	19.7
69.03436	43.3
71.01358	18.9
71.04995	7.2
71.51035	4.5
71.51421	4.5
72.08155	4.6
73.02921	20.2
81.03416	13.9
84.96032	13.4
85.02439	7.3
85.02913	84.4
87.04476	7.6
91.03974	8.4
96.89264	3.8
97.02887	46.7
98.97589	100.0
98.98212	7.1
99.04470	11.1
101.00885	24.2
109.02847	7.2
110.97585	31.4
112.99121	12.6
113.00883	9.2
113.02378	5.2
115.02448	9.4
116.98628	26.4
119.01907	33.6
119.04945	8.7
121.01707	5.8
123.04429	18.0
124.99139	9.1
127.02461	7.8
127.03929	36.7
128.98602	20.8
129.01848	4.9
129.03107	4.1
129.03995	5.0
131.00197	8.5
131.01884	18.3
131.04901	4.6
133.03477	9.7
135.04428	5.0
137.05978	6.8
138.02725	4.5
139.03912	19.7
140.98582	8.6
143.00171	15.2
143.01865	23.1
144.98080	4.2
145.01640	5.0
145.03496	10.8
145.04958	20.0
146.99646	7.2
147.04341	37.8
149.01208	6.2
149.06602	4.4
155.00131	5.7
155.01912	15.5
156.98042	6.1
157.03482	36.7
158.03621	4.7
158.99646	35.9
159.03195	5.6
159.05061	6.6
161.01117	7.3
161.03110	18.8
165.05490	4.5
167.02019	7.7
169.03410	5.4
170.99690	22.6
171.01373	4.7
173.01230	13.3
173.02954	19.5
174.99248	4.5
175.02838	4.5
175.04544	15.5
177.00725	16.1
179.02242	8.0
182.03360	6.7
182.99648	10.3
184.05864	14.6
185.03004	13.7
185.06572	5.4
187.04556	10.7
189.00691	11.5
189.06059	8.4
191.02414	6.3
191.03937	38.5
192.04692	11.8
197.03075	8.0
199.02856	6.1
199.04565	5.5
200.04445	30.1
201.00807	22.0
201.02373	5.6
201.05394	6.4
203.04024	9.5
203.07759	4.9
205.03880	6.0
205.05734	5.0
209.04834	4.0
213.04361	4.9
215.07616	8.4
219.01768	35.8
221.03290	11.8
221.05092	14.4
223.06691	26.5
224.02835	4.7
231.01845	7.6
235.06740	5.2
237.00703	7.1
237.02777	24.7
239.04384	14.6
243.01736	5.5
244.45404	4.5
245.05206	18.7
251.04399	4.9
255.04063	4.8
261.02844	11.2
261.08350	6.0
263.06116	7.0
265.07672	14.0
266.07990	6.5
269.05380	5.9
272.06616	17.9
279.03864	13.2
279.08929	6.9
281.07129	59.7
281.57336	8.1
282.07532	8.5
291.09140	5.5
295.06967	11.3
305.10767	26.7
307.08588	5.2
319.09067	5.5
321.10239	8.3
323.06354	8.5
324.08383	9.3
337.08051	12.9
349.09402	6.1
349.13608	4.5
355.09357	5.1
362.10114	9.5
435.13431	5.6
453.08676	6.7
453.14029	16.3
453.23740	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	451.3214
Annotation	Versicolactone D
Peak:m/z	Relative Intensity
55.05511	11.0
55.48872	2.3
57.07076	2.7
63.27620	2.4
67.05519	15.9
69.03446	3.1
69.07070	12.1
70.68671	5.6
71.05001	2.4
79.05488	13.1
81.07062	27.4
81.91104	2.3
83.04961	2.5
83.08629	7.6
91.05485	14.3
93.07048	32.0
95.04945	2.5
95.08619	42.0
97.06568	4.9
99.08131	3.0
103.55243	2.3
105.07049	29.4
106.84328	2.9
107.05003	3.0
107.08609	42.5
109.06584	4.0
109.10164	33.6
111.08085	3.1
117.07042	7.5
119.08596	56.8
121.10164	35.0
123.08073	6.6
123.11717	13.1
125.09656	8.6
127.11212	2.9
129.07039	4.2
131.08582	19.6
132.91350	2.3
133.10130	28.2
135.08080	10.4
135.11713	14.1
137.09689	3.2
137.13254	2.8
139.11244	3.9
142.07803	10.2
143.08572	19.9
144.09338	3.6
145.10143	50.5
147.11679	19.5
149.09651	5.6
149.13278	9.6
151.11240	2.9
155.08577	4.9
156.09378	10.4
157.10170	32.0
158.10965	5.6
159.11722	52.8
161.13275	25.2
163.11209	14.8
163.14850	6.3
165.12775	3.0
168.09378	3.9
169.10147	13.3
170.10928	18.2
171.11707	24.2
173.13266	27.0
175.11264	5.1
175.14899	10.7
177.12788	8.5
179.14267	3.2
181.10172	3.6
182.11095	2.9
183.11725	80.5
185.13290	64.8
187.14841	28.2
189.12752	6.6
189.16373	5.8
191.14313	2.9
191.17996	4.6
195.11755	3.8
197.13275	13.7
199.14845	33.2
201.12808	4.6
201.16321	11.2
203.14348	6.6
205.12291	20.1
205.15895	13.1
207.13792	6.2
209.13324	5.3
211.14853	7.6
213.16443	7.5
215.17999	5.4
217.12300	8.9
219.13843	12.9
219.17490	9.0
223.14891	3.6
225.16415	7.1
227.18019	5.3
229.12331	9.3
231.13864	23.0
231.17509	6.8
233.15398	19.5
233.19012	4.2
235.14597	2.8
235.20662	5.8
237.16481	3.9
245.15448	9.3
245.19040	11.5
247.17065	3.1
253.19452	3.7
257.15262	3.7
287.05640	2.9
299.20111	5.7
366.33905	2.8
387.30640	5.3
405.31589	37.8
430.53528	2.4
433.31110	18.1
451.32178	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1652
Annotation	Suvorexant
Peak:m/z	Relative Intensity
50.10839	1.0
53.03961	6.0
55.05521	14.7
55.79749	1.1
57.07086	23.6
58.06977	0.9
59.05013	1.1
61.94812	0.9
67.05499	1.3
70.90747	2.2
71.05010	11.2
75.00015	5.1
79.05534	1.0
81.07072	1.5
82.99005	12.2
83.04991	55.9
84.05325	1.3
91.05492	4.2
93.07099	1.4
95.04970	3.2
98.98473	2.2
101.06015	4.8
105.04520	1.1
105.07045	2.9
107.08614	2.1
117.01046	33.3
119.02640	1.6
119.08592	2.5
128.06181	1.2
129.07022	4.0
133.10208	1.2
135.02089	8.5
147.02078	14.3
147.08057	2.7
147.11713	7.1
151.01656	1.0
165.03157	30.1
175.01581	100.0
181.02614	10.3
187.01575	1.2
227.04768	9.1
231.07863	7.9
257.05911	1.8
275.06808	13.9
283.11145	1.3
313.12094	4.8
321.02902	6.6
331.13089	62.5
332.13327	1.8
339.03827	6.4
347.08231	1.3
369.18314	3.0
377.09131	19.0
387.19373	36.8
395.10239	55.1
396.10709	1.8
433.15479	29.8
450.92853	1.2
451.10083	2.5
451.16522	49.9
451.32425	1.9
452.16882	1.4
471.75378	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2091
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.6
55.01875	0.8
55.05503	0.5
57.03426	0.5
59.04994	0.6
61.02940	0.3
65.03925	0.4
67.05522	0.5
69.03418	1.4
70.79856	0.3
70.80189	0.7
71.01350	0.7
71.05008	0.4
76.03726	0.3
79.05489	1.4
80.05013	0.5
81.03416	1.0
81.07059	1.0
84.04514	0.6
85.02912	3.8
87.04472	0.5
87.71147	0.3
91.05495	2.7
92.05006	0.3
92.06292	0.4
93.03322	0.3
93.07049	0.9
94.06548	1.2
95.04958	0.4
95.08611	0.4
96.08134	1.2
97.02892	1.3
99.04506	0.5
100.11274	0.7
103.05474	3.8
104.04990	0.4
105.07014	0.4
106.06551	1.7
107.04964	0.4
107.08607	0.4
108.08131	0.5
109.02922	0.4
113.02409	0.5
116.04961	0.5
117.05795	0.5
118.06550	2.8
119.07304	0.8
120.08118	13.5
121.06547	0.3
122.06065	0.5
122.09681	1.0
124.07591	8.0
126.09157	1.1
127.03937	0.8
127.67801	0.3
131.04936	8.7
134.06030	6.1
135.06815	0.4
136.07599	3.5
137.06020	1.0
138.05511	1.2
138.09120	0.4
145.04988	1.4
146.05992	5.6
147.04396	0.4
147.06789	2.6
148.07587	12.6
150.09196	0.9
152.07111	0.8
153.01746	0.4
154.12306	0.7
159.11604	0.3
160.07640	0.4
163.03886	0.5
164.07080	57.2
165.07680	0.7
166.08665	2.7
172.11267	0.4
198.12766	0.5
200.10788	0.5
214.11095	1.1
215.15469	1.2
216.10228	1.9
225.13950	0.4
226.12354	0.7
228.10278	0.7
229.13406	1.2
232.09769	0.5
243.14948	9.3
245.16548	3.0
253.13348	1.2
254.11771	1.0
271.14435	27.3
272.14679	0.5
281.18747	0.5
287.05548	1.1
288.05814	0.6
289.15482	100.0
290.15875	1.3
303.05035	0.9
304.05426	0.6
305.05600	1.3
451.10538	0.5
451.20398	2.4
451.32690	0.7
456.46371	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.124
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	0.5
53.00288	0.3
53.03952	2.4
55.01876	1.8
55.05509	0.7
55.81645	0.3
57.03446	4.3
59.05006	32.5
61.02937	0.6
61.47733	0.3
65.03943	0.5
67.05495	0.5
68.99790	1.2
69.03439	3.8
69.48232	1.3
69.48649	0.8
71.01362	6.8
71.04996	4.3
73.02605	0.3
73.02925	2.3
74.76198	0.2
75.04484	0.5
75.28441	0.3
77.03926	1.0
79.05505	1.4
81.03412	1.2
81.07052	0.8
83.01332	0.4
83.04991	0.6
84.02188	0.3
85.02911	21.3
86.03242	0.3
87.00811	0.3
87.04475	4.0
89.06073	0.3
91.05488	4.3
93.07030	0.5
95.01347	0.6
95.04976	2.7
95.08619	0.4
97.02901	10.2
99.00813	0.3
99.04460	3.0
101.02372	0.4
102.04676	0.4
103.05474	42.1
104.05791	0.5
105.03406	12.9
105.04524	1.3
105.07016	0.4
107.04952	1.9
107.08604	0.4
109.02885	0.8
109.06512	0.4
109.10183	0.5
111.04443	2.3
113.02377	8.3
115.03914	0.8
115.05455	1.7
116.06238	0.7
117.07032	1.2
119.04958	0.3
119.08603	0.4
121.02872	0.6
121.06517	0.5
121.10165	0.4
122.03711	0.4
122.94893	0.3
123.00822	0.5
124.03991	1.8
125.02351	0.9
125.04291	0.3
125.05978	0.6
127.03963	1.8
128.06212	1.8
129.07011	4.6
131.04938	100.0
131.08575	2.2
132.05241	1.5
133.10091	0.3
135.04408	0.3
135.08061	0.4
137.06003	0.6
139.03940	0.4
141.01843	3.9
141.06998	6.6
143.08572	1.2
144.05708	1.4
145.04970	52.2
146.05266	0.4
147.04411	1.6
147.11639	0.3
149.05988	0.9
151.03894	0.4
152.06168	0.4
153.01863	1.1
153.07008	1.2
155.04903	0.6
155.06046	0.7
157.06537	1.3
157.10139	0.4
159.02911	0.4
159.08092	2.0
159.11705	0.3
161.09630	0.7
163.03906	0.3
165.09175	0.6
168.05807	0.3
169.05054	0.6
169.06487	5.0
170.07152	0.3
171.06662	0.5
171.08070	1.1
173.06004	0.5
174.05174	0.3
175.03813	0.3
175.07484	0.3
179.03421	0.3
181.06497	0.9
183.08102	0.3
185.06017	1.0
187.07533	3.7
197.06013	3.6
199.07588	0.7
201.09102	0.7
203.07030	0.7
211.07585	0.5
213.05424	1.1
215.07040	0.7
225.05429	0.9
227.06982	1.5
229.08607	1.8
239.06975	0.5
243.06516	0.9
245.08009	0.6
247.09738	0.6
257.08267	0.6
261.07574	0.4
263.09238	0.4
275.09183	0.6
287.05551	0.5
289.06305	0.8
303.04944	1.1
307.08032	0.7
343.80759	0.3
391.08041	0.4
419.09790	0.6
451.11603	1.8
451.19403	0.9
451.79965	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	1.7
55.01875	1.9
57.03436	3.2
61.02934	4.2
65.03963	2.0
69.03438	9.6
70.65375	1.6
70.65731	1.4
71.05000	2.1
73.02914	1.9
81.03442	4.7
82.37302	0.7
85.02920	58.4
87.04475	1.5
91.03979	2.6
91.05497	100.0
92.05843	1.1
93.07084	0.8
97.02908	32.9
99.04488	2.9
105.07026	1.3
109.02906	5.3
111.04476	0.7
112.85748	0.7
115.03942	4.4
117.07018	1.7
119.08558	0.8
121.02915	1.7
122.03262	0.8
127.03933	14.6
127.04829	1.2
129.07030	1.2
129.67079	0.9
133.06549	1.2
137.02327	0.8
139.57030	0.6
143.08574	1.4
145.04993	26.6
153.01898	2.4
154.02155	1.1
157.06505	1.2
161.04514	2.8
163.06059	11.8
165.01880	1.3
166.02112	0.9
171.08144	1.3
175.07605	0.9
214.05832	1.1
217.08759	1.9
235.09761	3.2
253.10817	1.2
259.05902	1.0
287.05551	32.3
288.05893	69.6
289.06155	1.0
303.05017	1.7
304.05429	5.7
382.57632	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.0
54.92074	0.6
55.01873	1.6
57.03433	3.9
58.26728	0.7
61.02929	5.5
65.03945	1.8
69.03438	12.8
70.64734	2.0
71.05006	1.2
73.02927	2.4
74.73745	0.5
77.44790	0.6
81.03434	5.1
85.02911	60.4
87.04503	1.1
90.48221	0.6
91.03979	3.7
91.05489	100.0
92.05820	1.0
97.02898	31.8
99.04469	2.6
105.07035	0.9
107.04884	0.7
109.02888	6.4
111.00797	0.7
114.96979	0.6
115.03944	4.1
117.07042	1.1
121.02873	0.8
122.03245	0.8
127.03931	14.1
127.43752	0.6
129.07002	1.3
133.06543	1.5
143.03412	0.8
143.08582	0.9
145.04971	28.0
152.98026	0.6
153.01794	0.6
153.06935	0.6
157.06543	1.3
161.04474	2.4
163.06026	12.7
171.08055	1.3
175.07562	1.3
199.07436	0.7
214.05830	0.9
217.08684	2.6
235.09708	2.3
253.10725	3.0
287.05524	16.7
288.05859	42.2
303.05081	1.9
304.05450	3.4
321.44604	0.7
325.11316	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.3216
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	1.1
55.05779	0.6
56.05037	0.7
57.07081	7.5
58.06584	2.3
60.05386	0.8
65.03935	2.7
67.05466	0.7
69.07031	0.7
70.06599	13.1
71.08639	2.8
71.51277	0.7
74.06104	0.7
79.05508	0.6
81.07084	0.6
85.10197	0.9
87.26643	0.6
88.07634	20.7
91.05467	1.1
95.08602	0.9
102.09185	14.7
121.02876	1.3
133.10155	0.7
139.03935	0.9
149.02351	80.6
149.03426	5.0
150.02673	0.7
193.04968	86.2
194.05299	1.2
208.66763	0.5
284.29480	41.5
285.29922	0.9
287.05557	4.6
288.05872	12.3
321.26355	0.7
351.47351	0.7
391.28775	0.6
450.32181	100.0
451.32550	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	449.3999
Annotation	sitostanetriol
Peak:m/z	Relative Intensity
55.05521	18.5
57.07087	15.0
58.76108	2.1
67.05514	11.2
69.07082	19.8
71.08638	9.5
71.52187	2.8
76.85526	2.2
79.05499	2.7
81.07066	15.4
83.05004	4.5
83.08640	16.4
85.10189	7.7
87.35335	2.2
91.05484	3.8
93.07075	6.5
95.04992	3.6
95.08614	13.2
97.06554	3.9
97.10191	22.3
105.07047	4.6
107.08615	4.6
109.06543	3.8
109.10167	15.6
111.08100	9.0
111.11731	3.5
119.08623	20.1
121.06539	3.2
121.10178	6.3
123.04434	8.4
123.08099	3.9
123.11756	5.8
133.10146	7.4
135.11688	4.8
137.09677	20.6
139.07570	36.2
147.08125	3.9
147.11749	3.7
151.11206	8.3
161.13249	5.3
165.09140	6.7
165.12779	5.4
166.01268	2.5
179.10732	3.9
179.14316	6.6
183.10144	3.2
189.16260	2.2
192.57942	2.5
193.15874	3.7
207.17369	4.1
287.05634	9.1
347.29385	5.3
364.36356	2.7
403.39432	28.3
431.38922	100.0
432.39163	3.2
449.39969	81.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1491
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.7
55.05515	6.0
57.07082	27.6
58.87487	0.7
65.03951	5.9
69.71030	4.8
71.04974	1.1
81.03418	1.8
83.04986	65.9
86.36723	0.7
91.05491	5.7
98.98479	6.2
105.07032	2.1
115.05439	1.2
121.10113	1.0
128.06256	0.9
129.06956	1.2
132.09171	0.8
133.00519	1.5
141.06998	3.2
147.08060	0.9
147.11681	7.2
151.01541	7.9
159.08034	1.9
163.01535	6.5
175.01585	7.8
181.02643	2.0
187.01572	2.2
197.91501	0.8
227.04671	2.7
239.04622	2.0
254.98297	0.8
260.99234	6.9
287.05521	20.7
303.04849	2.4
337.02371	58.2
393.08636	100.0
394.08984	1.9
434.11490	1.4
449.09146	1.0
449.14893	11.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2669
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67554	1.5
55.05523	9.7
57.03442	64.2
57.07082	45.1
63.75476	1.6
67.05235	1.6
67.05515	18.4
69.07067	13.1
69.64581	9.1
71.08287	2.7
71.08637	31.8
79.05506	3.9
81.07067	24.5
83.08630	14.3
85.10191	16.4
91.05485	2.1
93.07034	5.4
95.08067	2.5
95.08616	33.9
97.10164	5.1
97.66117	1.6
98.20857	3.9
98.21431	2.9
98.98476	100.0
105.07054	3.7
107.08617	4.3
109.10171	15.3
113.00010	4.5
121.10141	4.4
123.11694	4.1
130.53976	1.7
131.66730	1.9
137.00003	94.5
137.02304	2.7
137.13275	2.6
137.33049	1.6
141.07013	2.0
145.10150	2.1
155.01060	97.1
169.02597	3.5
177.05437	2.2
178.02756	1.9
193.02626	16.1
211.03700	20.4
239.23726	5.6
267.28836	1.9
287.05527	68.0
288.06091	2.5
295.26480	2.5
303.05035	6.7
313.27393	70.7
314.27786	2.1
337.27274	3.7
348.09055	2.0
392.81100	1.7
410.04843	1.8
449.26636	78.3
450.26810	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1083
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09245	0.2
66.87661	0.2
68.99786	0.6
69.00716	0.2
69.03426	0.2
70.67970	0.5
81.03368	0.2
84.08047	0.2
95.04977	0.2
98.62842	0.2
101.46928	0.2
105.03444	0.3
105.65170	0.2
107.04964	0.4
109.02907	0.3
111.00805	0.9
111.04565	0.2
119.46049	0.2
121.02877	2.9
127.03902	0.2
133.02881	0.6
137.02353	1.4
141.07025	0.2
145.06480	0.3
147.04428	0.6
153.01849	4.3
157.06462	0.7
165.01869	2.0
171.04475	0.4
183.02913	0.6
185.05978	0.7
189.05524	0.2
197.06033	0.2
198.97452	0.2
213.05492	2.0
231.06551	0.9
241.05023	1.0
258.05252	1.2
259.05997	0.5
287.05527	100.0
287.63306	0.2
288.05890	2.3
303.05029	0.6
449.10898	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1085
Annotation	Chrysanthemin
Peak:m/z	Relative Intensity
53.03960	0.3
55.55006	0.3
55.55282	0.3
56.96560	1.0
57.03441	0.5
61.02919	0.3
68.71773	0.3
68.99805	0.5
69.03423	1.0
69.19408	2.6
70.88723	0.3
71.01350	0.9
71.56796	0.3
81.03424	0.8
84.96047	0.5
85.02911	2.2
87.04483	0.6
97.02893	1.2
98.21563	0.6
98.97596	3.1
99.04449	0.3
101.00883	0.8
110.97582	1.2
111.00790	0.5
112.99162	0.5
113.00898	0.3
113.02386	0.5
115.56944	0.3
116.98618	0.8
119.01907	0.8
121.02860	0.7
121.24245	0.3
124.99149	0.3
127.03912	0.7
128.98610	0.5
131.00212	0.4
131.01952	0.7
137.02344	2.5
140.98648	0.3
143.00148	0.5
143.01906	0.6
147.04419	0.5
149.02362	0.3
153.01862	0.9
155.01869	0.4
156.98148	0.3
157.03484	0.6
157.06490	0.7
158.99666	0.8
161.02991	0.4
161.05894	0.5
165.01889	1.0
167.00058	0.3
173.03004	0.4
175.04449	0.4
177.00697	0.4
179.02342	0.5
183.02966	0.4
185.06026	0.6
187.00916	0.3
189.05672	0.5
201.05991	0.3
213.05524	1.8
219.01854	0.8
221.03380	0.3
221.05266	0.4
223.06604	0.6
229.04922	0.3
231.03366	0.4
231.06592	0.9
237.02872	0.4
239.04466	0.7
241.05013	0.8
255.04453	0.5
259.06277	0.4
264.05096	0.3
269.04608	0.6
271.05923	0.4
272.06424	0.3
287.05533	100.0
288.05911	2.6
303.05063	5.9
346.08710	0.3
389.16470	0.4
449.15189	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	449.1425
Annotation	Unknow
Peak:m/z	Relative Intensity
55.59513	0.4
56.96550	0.9
57.03414	0.5
59.01270	0.4
61.02913	0.4
64.25629	0.4
68.99778	0.7
69.03405	1.3
70.24407	0.4
70.24744	1.5
71.01334	1.4
71.04996	0.4
72.21596	0.5
85.02914	3.0
87.04444	0.9
97.02869	1.2
98.21522	0.5
98.97577	2.7
101.00875	1.3
105.77100	0.4
110.97556	1.1
111.00804	0.5
111.02032	0.5
113.00860	0.9
113.02332	0.6
116.98634	0.6
119.01887	1.1
121.02843	1.3
128.98596	0.6
131.01842	0.9
137.02394	2.0
137.03288	0.4
143.01889	1.3
145.03465	0.5
145.04970	0.8
147.03122	0.5
147.04344	0.5
153.01813	1.6
155.01881	0.8
157.03485	1.1
158.99666	0.9
161.02879	1.0
165.01849	1.0
173.01196	0.5
173.02980	0.5
175.04315	0.6
183.02783	0.6
185.02913	0.6
185.05972	0.7
200.37956	0.4
203.03780	0.5
213.05399	2.0
219.01704	0.5
221.05038	0.6
223.06540	0.7
231.06436	1.2
239.04346	1.2
241.05048	0.9
245.05022	0.9
255.04517	0.9
264.04922	0.7
266.96814	0.5
271.05884	1.1
287.05508	100.0
288.05844	2.3
293.10889	0.6
303.04910	2.3
321.10193	0.6
449.14487	20.1
450.14508	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1082
Annotation	Kaempferol-3-Glucoside
Peak:m/z	Relative Intensity
54.69901	0.4
56.65036	0.4
57.03429	0.6
61.02930	4.2
63.53229	0.3
68.99787	1.1
69.03415	1.6
69.18870	3.9
69.19250	0.7
69.72200	0.4
71.90022	0.4
73.02911	1.0
81.03397	0.8
85.02457	0.4
85.02925	5.8
86.55756	0.3
91.03486	0.4
91.03942	2.1
97.02911	2.1
107.04958	0.6
109.02903	0.7
109.94211	0.4
111.00820	0.8
121.02893	3.6
127.03923	1.2
137.02385	1.3
145.04961	1.0
147.04402	0.5
153.01828	4.5
157.06534	0.7
165.01868	2.0
171.04439	0.5
183.02917	0.9
185.06108	0.7
197.05974	0.5
213.05510	1.5
214.97820	0.4
241.04938	1.4
258.05362	1.1
259.06003	0.6
287.05530	100.0
288.05774	2.4
293.68817	0.4
299.05472	1.0
325.07175	0.5
329.06589	0.7
353.06525	1.0
383.07074	0.5
387.70438	0.5
399.22217	0.4
416.86911	0.5
430.99402	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1084
Annotation	Kaempferol-3-Glucoside
Peak:m/z	Relative Intensity
61.02933	5.7
67.81087	0.6
68.68153	0.7
68.99783	0.9
69.03439	0.8
70.86062	1.6
73.02925	1.8
85.02914	4.7
91.03982	3.1
97.02906	2.6
109.02828	0.9
111.00810	0.9
121.02863	2.9
127.03928	0.7
145.04947	0.9
147.04422	0.7
153.01833	3.3
165.01855	1.8
165.52054	0.6
183.02835	0.8
213.05533	1.2
213.88126	0.8
231.06598	0.9
258.05228	1.2
287.05542	100.0
288.05887	2.4
312.44339	0.8
395.19128	0.7
408.01157	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1084
Annotation	Kaempferol-3-Glucoside
Peak:m/z	Relative Intensity
57.03439	1.8
58.38706	0.8
61.00159	0.8
61.02954	1.3
66.80495	1.0
68.44019	0.9
69.03432	3.7
69.57042	6.0
71.04653	1.0
71.05009	6.8
76.27687	1.0
78.26873	0.9
81.03404	1.7
85.02922	14.5
97.02895	3.3
98.11495	0.8
111.00855	1.5
121.02914	4.5
127.03912	1.5
130.14310	0.9
135.79605	0.9
137.02405	2.0
145.04922	1.3
153.01846	5.0
165.01846	2.8
183.02872	1.6
224.37289	1.1
226.87451	0.9
229.05023	2.0
287.05536	100.0
288.05804	2.3
303.05026	21.4
320.40582	1.1
348.13629	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1084
Annotation	Chrysanthemin
Peak:m/z	Relative Intensity
61.56607	0.2
62.22602	0.2
68.99790	0.4
69.40346	1.4
81.03408	0.2
82.65726	0.2
111.00778	0.3
115.05488	0.3
121.02880	0.6
124.82233	0.2
127.45277	0.2
129.07074	0.2
131.00937	0.2
136.13818	0.2
137.02376	2.6
137.03455	0.3
139.05476	0.2
143.04897	0.2
149.02339	0.3
153.01842	0.3
157.06555	0.4
161.06015	0.4
165.01883	0.4
171.04466	0.5
175.03949	0.2
185.05922	0.9
189.05478	0.7
199.03909	0.3
213.05515	2.2
231.06554	0.8
241.05013	1.0
242.05797	0.3
269.04379	0.4
287.05533	100.0
288.05884	2.6
303.05029	1.8
343.05969	0.2
449.10818	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1083
Annotation	Quercetin-3-O-alpha-L-rhamnopyranoside
Peak:m/z	Relative Intensity
52.52110	0.2
53.03954	0.3
55.01864	0.3
57.03422	0.4
61.02940	1.5
61.03204	0.3
65.03944	0.4
67.05489	0.5
68.99780	0.9
69.03414	0.7
69.07092	0.3
71.04974	0.6
71.09792	0.3
72.89037	0.2
73.02912	0.3
79.05491	0.4
81.03415	0.5
81.07050	0.3
85.02917	3.1
91.03944	0.8
91.05444	0.4
91.17335	0.2
93.03394	0.5
95.04952	0.5
95.08633	0.3
97.02898	1.2
97.06512	0.3
97.22820	0.2
98.89302	0.2
105.07035	0.3
106.04172	0.2
107.04936	0.5
109.02876	0.7
109.10162	0.4
111.00832	1.5
111.04454	0.2
111.82315	0.2
113.03632	0.2
119.08614	0.3
120.08142	0.2
121.02882	2.5
121.06506	0.3
123.04415	0.4
123.47028	0.2
127.03902	0.5
128.70628	0.2
133.02815	0.2
133.06525	0.4
135.04404	0.3
137.02364	4.5
137.03413	0.3
137.05978	0.2
145.06490	0.5
147.04431	0.5
149.02371	0.4
149.05936	0.3
151.07526	0.4
153.01851	5.8
155.04926	0.5
157.06549	0.2
157.50499	0.2
161.05919	0.5
162.07962	0.2
163.03931	0.8
165.01859	2.8
166.02655	0.2
166.08693	0.2
167.07071	0.3
169.08578	0.2
171.04398	0.2
173.05984	0.6
174.92447	0.2
175.73184	0.2
177.05510	0.2
183.02957	1.3
183.04361	0.3
187.03917	0.3
191.07069	0.4
195.02948	0.3
201.05521	2.3
205.05028	0.2
209.08107	0.3
213.05505	1.1
214.41170	0.2
219.06567	0.4
229.04982	5.8
231.06517	0.3
241.04971	0.4
247.06085	1.1
257.04486	3.9
258.05292	0.7
274.04813	1.0
285.03964	1.3
287.05539	35.8
288.06000	1.0
299.05585	0.9
303.05032	100.0
304.05386	2.6
325.07425	0.2
329.06580	0.8
353.06549	0.4
388.84659	0.2
413.08734	0.3
431.09756	0.3
449.10858	0.6
449.16385	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1082
Annotation	Chrysanthemin
Peak:m/z	Relative Intensity
50.60548	0.1
55.05526	0.2
67.05495	0.5
68.99799	0.3
69.07051	0.2
79.05494	0.3
81.03452	0.3
81.07053	0.7
91.05486	0.4
93.07041	0.5
95.08595	0.3
102.09131	0.2
105.07047	0.4
107.08607	0.5
109.10146	0.2
111.00816	0.2
115.05444	0.2
117.07081	0.3
119.08599	0.2
121.02885	0.4
123.04458	0.3
124.18474	0.2
129.07014	0.3
135.08051	0.2
135.11703	0.2
137.02367	2.8
137.03413	0.3
139.05476	0.2
143.04903	0.3
145.10120	0.2
147.04408	0.7
149.02374	0.5
157.06499	0.5
159.08099	0.2
159.11703	0.2
161.05991	0.5
163.03935	0.2
165.01840	0.2
175.03937	0.6
185.05980	0.9
189.05516	0.5
191.07019	0.3
203.07089	0.3
213.05473	2.2
216.04153	0.3
219.06642	0.5
231.06645	0.7
241.04964	1.0
242.05603	0.3
256.26428	0.3
259.06085	0.3
269.04462	0.5
287.05527	100.0
288.05875	2.6
303.05020	0.7
357.24023	0.3
431.28223	0.2
449.10718	0.8
449.29343	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.2543
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	4.0
57.07059	3.7
59.05001	36.7
67.05501	10.3
69.03431	5.4
69.07069	32.5
70.51227	9.0
70.51555	5.0
71.04965	4.9
71.26210	3.6
79.05490	8.2
81.07056	20.6
83.05021	5.3
85.02896	7.8
89.66293	3.8
91.05475	10.5
93.07022	11.3
93.16763	3.7
93.88832	4.0
94.14993	3.4
95.04978	15.2
95.08624	12.2
97.06516	9.8
105.07037	21.4
105.60473	4.0
107.08593	10.6
109.06517	37.8
109.10168	18.4
111.04470	7.0
117.07051	4.7
119.08595	24.5
121.10143	14.7
123.08047	7.4
123.11728	24.0
125.09661	11.3
131.08542	12.3
133.10124	13.3
135.08064	5.2
135.11761	5.1
137.09627	4.9
145.10146	42.9
147.11687	12.2
149.09634	14.9
151.11192	59.3
153.09045	5.0
157.10141	5.8
159.11681	10.9
163.11198	6.5
170.46695	3.9
173.13306	9.2
175.11223	7.8
187.14864	21.5
189.12733	3.9
205.15904	5.1
215.14307	6.7
233.15398	5.8
287.05518	100.0
303.04880	10.0
383.72049	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.3063
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18413	0.5
57.06834	0.6
57.07077	6.2
58.06579	1.7
60.85494	0.5
67.05480	0.8
68.05029	0.7
70.06599	18.0
71.04177	1.4
71.08646	3.6
72.08149	0.7
74.06114	0.8
81.07063	0.6
84.24011	0.6
85.10183	1.2
88.07108	1.2
88.07640	20.7
91.05481	2.4
95.08630	0.7
102.09194	15.6
104.02625	2.6
119.04939	2.2
121.02887	0.7
132.02078	10.1
133.17694	0.5
136.01578	8.2
141.30809	0.8
147.04427	26.2
147.05478	0.9
148.05173	2.3
149.02319	1.5
175.03931	52.5
176.04620	2.4
180.04202	11.3
191.07083	3.8
193.05019	1.2
219.06554	85.8
220.06865	1.4
256.26382	51.8
257.26782	1.1
287.05527	9.7
303.05087	1.1
356.77307	0.7
448.30640	100.0
449.31061	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	448.2543
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	4.0
57.07059	3.7
59.05001	36.7
67.05501	10.3
69.03431	5.4
69.07069	32.5
70.51227	9.0
70.51555	5.0
71.04965	4.9
71.26210	3.6
79.05490	8.2
81.07056	20.6
83.05021	5.3
85.02896	7.8
89.66293	3.8
91.05475	10.5
93.07022	11.3
93.16763	3.7
93.88832	4.0
94.14993	3.4
95.04978	15.2
95.08624	12.2
97.06516	9.8
105.07037	21.4
105.60473	4.0
107.08593	10.6
109.06517	37.8
109.10168	18.4
111.04470	7.0
117.07051	4.7
119.08595	24.5
121.10143	14.7
123.08047	7.4
123.11728	24.0
125.09661	11.3
131.08542	12.3
133.10124	13.3
135.08064	5.2
135.11761	5.1
137.09627	4.9
145.10146	42.9
147.11687	12.2
149.09634	14.9
151.11192	59.3
153.09045	5.0
157.10141	5.8
159.11681	10.9
163.11198	6.5
170.46695	3.9
173.13306	9.2
175.11223	7.8
187.14864	21.5
189.12733	3.9
205.15904	5.1
215.14307	6.7
233.15398	5.8
287.05518	100.0
303.04880	10.0
383.72049	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.3835
Annotation	13'-hydroxy-alpha-tocopherol
Peak:m/z	Relative Intensity
53.03922	1.0
55.01872	1.2
55.05513	10.6
55.95871	1.0
57.07084	7.7
65.03967	1.3
66.77560	0.8
67.05486	2.9
69.07063	4.6
71.08640	6.9
71.52756	0.8
72.75046	0.9
79.05488	3.1
81.07076	4.9
82.88572	0.8
83.04987	31.7
83.08607	3.6
85.10182	3.0
91.05479	4.1
93.07055	8.7
95.04969	1.0
95.08606	6.4
97.06503	1.0
97.10185	2.4
99.08099	2.6
105.04508	1.3
105.06998	1.7
107.08584	4.1
109.06516	2.6
109.10151	3.2
111.08092	4.1
111.11723	1.4
117.06946	1.2
118.14735	1.0
121.06509	19.5
121.10175	1.2
123.04488	1.3
123.08070	2.9
123.11680	1.0
125.09618	1.4
127.07543	8.0
135.08076	7.5
137.09637	6.0
139.07549	49.7
145.10194	0.9
149.02347	2.5
149.09642	3.1
151.07576	2.0
152.08289	0.9
153.09128	5.9
159.11697	1.0
163.07568	8.5
163.11160	2.0
165.09125	2.4
167.10692	2.1
169.08514	1.5
177.09122	1.7
177.12782	1.2
179.06979	1.3
180.07811	8.7
181.08565	18.8
181.12291	2.4
203.10548	2.6
204.11160	1.7
209.11737	0.9
209.15492	0.9
223.13239	1.0
237.14915	1.3
251.16469	1.5
331.65253	0.9
335.25485	0.9
387.36304	1.2
391.32010	1.3
405.37704	1.3
429.37384	2.1
447.38345	100.0
448.38715	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	448.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
58.92632	2.7
67.05505	6.2
69.03421	4.8
69.58479	12.8
69.58914	9.1
71.04977	4.9
73.97514	3.0
79.05489	7.6
81.07054	13.7
83.04966	9.2
85.02899	11.3
91.05471	7.3
93.07044	18.3
95.04958	8.0
95.08602	8.2
97.02863	4.3
97.06508	8.3
98.21495	5.4
100.22754	2.8
102.09344	2.9
105.07045	18.0
107.04966	7.8
107.08611	10.0
109.06537	6.3
111.04439	4.1
111.08007	3.3
117.07034	3.6
119.04942	4.1
119.08582	5.7
121.06503	11.8
125.05984	11.9
125.09657	6.2
127.07574	3.0
131.04855	3.0
131.08527	4.6
133.06474	4.3
135.08035	5.1
135.11612	4.2
137.02431	4.5
137.05986	12.9
139.07544	5.7
143.07048	8.2
143.08401	2.9
145.06509	4.5
145.10141	21.6
147.11673	4.9
153.01837	11.2
159.11716	13.0
163.11176	35.7
169.10164	3.6
173.09575	16.9
177.12680	3.3
187.11217	24.0
191.10664	8.5
197.09583	3.9
205.12288	11.3
209.11789	5.2
215.10629	16.5
227.12825	4.6
233.11705	38.3
233.15425	6.8
251.12843	31.3
251.16539	5.2
258.05402	4.0
269.14029	4.2
269.17517	6.2
275.54431	3.0
287.05542	100.0
303.05023	67.8
317.06476	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.3841
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	11.7
57.07091	8.9
66.12572	1.4
66.70433	1.4
67.05495	3.0
69.07070	7.7
71.08636	9.1
71.51514	2.0
79.05491	3.3
81.07060	4.7
83.04990	34.0
83.08635	4.4
85.10164	3.3
88.49409	1.5
91.05454	3.9
91.35584	1.6
93.07041	7.7
95.08609	5.5
97.10178	3.3
100.50119	1.4
105.07024	1.9
107.08604	5.1
109.06554	3.5
109.10150	3.2
111.08086	3.4
117.06997	2.3
119.08579	2.1
121.06520	19.3
121.10153	3.4
123.08077	2.9
127.07558	6.9
133.10179	1.8
135.08086	8.2
137.06032	4.1
137.09627	4.0
139.07556	54.0
145.10184	1.8
149.02348	2.9
149.09613	2.9
151.07599	2.1
153.09132	5.6
163.07544	10.7
165.09181	2.9
167.10788	1.9
169.08742	2.1
173.13240	1.7
181.08633	12.3
191.14417	1.6
195.13812	2.1
198.72693	1.5
223.13205	1.7
237.14877	2.3
251.16425	3.0
285.38678	1.6
293.14359	1.5
293.21399	2.0
302.29636	1.4
429.36945	3.3
447.38342	100.0
448.38690	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	447.3836
Annotation	13'-hydroxy-alpha-tocopherol
Peak:m/z	Relative Intensity
50.78485	3.3
55.05513	51.9
57.07081	73.5
67.05518	24.1
69.07074	80.0
71.08639	42.5
71.12664	4.9
71.12980	4.4
79.05501	10.8
81.07059	38.1
82.07394	3.9
83.04996	6.2
83.08620	55.1
85.06550	9.0
85.10193	27.4
91.05465	11.5
93.07050	24.1
95.08615	47.9
97.10175	41.9
105.07036	15.3
107.08611	26.8
108.13422	3.9
109.06489	5.9
109.10165	31.3
111.08112	7.8
111.11719	23.9
115.96836	3.8
119.08588	14.5
121.06493	4.4
121.10136	28.3
123.08075	25.5
123.11737	8.5
125.09656	5.1
125.13271	9.2
131.08626	4.8
133.06445	5.0
133.10152	11.2
135.08076	18.2
135.11719	11.6
137.09612	65.2
137.13228	5.3
139.07541	14.2
141.09103	10.6
145.10182	4.4
147.11711	8.5
149.02356	10.6
149.09650	15.2
149.13240	5.5
151.07570	20.0
151.11195	6.6
153.09146	9.0
159.11649	6.5
161.13310	7.4
163.11137	8.5
163.14857	6.8
165.09129	20.8
167.07030	5.5
169.08612	100.0
173.13263	6.9
175.14767	5.9
181.04970	9.1
181.08665	10.9
187.14848	5.5
189.16399	5.9
191.14290	5.4
196.66885	3.7
205.12433	4.3
221.49490	4.5
252.55173	3.5
277.80075	3.4
363.29007	3.7
377.30469	4.3
401.37845	17.2
403.39383	10.0
419.39206	7.5
422.43256	3.7
429.37219	13.5
447.38528	72.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.3475
Annotation	Di-n-decyl phthalate
Peak:m/z	Relative Intensity
55.05499	2.0
57.07089	7.3
57.62874	0.8
60.62426	0.7
67.05501	2.3
69.07075	1.3
71.08642	4.9
71.51601	0.8
71.52001	0.9
74.32219	1.0
79.05495	1.2
81.07034	2.3
83.08620	1.3
85.10186	2.2
91.05465	1.2
93.07037	1.9
95.01332	2.4
95.08603	3.6
96.80724	1.0
99.00829	10.1
99.04449	2.7
105.07027	1.9
107.04990	0.8
107.08610	1.6
109.02891	1.6
109.10168	1.9
113.02388	1.3
117.01886	1.2
119.08625	0.9
121.10168	1.0
123.11688	1.0
125.06033	1.6
133.10159	1.5
135.04453	1.6
135.08061	1.4
137.06049	0.9
137.60287	0.9
145.10123	1.2
149.02333	2.1
149.06056	1.2
151.07591	1.4
153.05478	3.7
163.07610	1.7
175.14743	1.0
181.04984	14.1
183.06679	1.1
191.07097	2.1
191.10623	1.0
191.52277	0.8
195.06572	29.3
205.08739	1.3
209.08148	17.0
223.09677	15.0
237.11241	10.9
251.12845	7.0
265.14349	4.7
271.74255	0.8
279.16010	2.7
293.17566	1.4
307.18918	1.3
321.20737	1.4
335.22318	1.3
389.17886	1.1
393.55695	0.9
404.20001	0.8
419.22321	1.8
429.33386	1.4
432.19513	1.3
447.21094	7.3
447.34760	100.0
448.35278	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2512
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.1
55.01866	7.0
55.05275	2.3
55.05520	29.4
57.03442	27.7
57.07072	9.3
60.04773	2.4
63.19691	2.3
65.03951	3.0
67.05180	4.3
67.05517	53.9
69.07072	24.3
71.08638	6.1
71.31929	5.2
72.71632	2.6
79.05503	32.9
81.06595	3.9
81.07068	62.4
81.39322	2.6
83.08633	15.2
85.10192	4.0
91.05486	14.4
93.07063	38.2
95.08620	47.4
97.06562	3.7
97.10157	10.0
98.98475	37.6
105.07047	12.5
107.08614	25.1
109.10174	20.3
111.11655	2.9
113.00037	100.0
117.06998	3.7
119.08578	10.8
121.10160	17.4
123.11707	8.5
131.08562	8.3
133.10129	9.2
135.11707	11.7
137.00006	29.5
145.10123	4.5
147.11694	9.9
149.02342	3.7
149.13252	7.1
155.01057	18.5
161.13277	7.2
163.14816	3.3
169.02641	18.9
173.13310	4.5
175.14859	3.6
187.03630	8.7
187.14879	4.4
193.02594	4.0
211.03758	5.6
237.22215	4.7
243.21066	7.5
261.22211	17.6
311.25742	22.2
317.24722	6.6
320.95428	3.1
335.25854	84.4
447.25174	37.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65680	2.6
53.03963	3.4
53.83569	2.5
55.05521	4.3
57.03419	3.4
67.05508	9.9
69.03437	12.6
69.07071	4.4
70.55249	9.4
71.04988	3.7
73.39144	2.5
79.05495	8.7
81.07049	15.1
85.02905	18.9
85.06554	12.1
89.06368	2.8
91.05495	11.7
93.07040	18.8
95.04961	7.2
95.08631	14.3
97.02914	6.6
97.06565	4.0
103.05497	3.7
105.07050	35.8
107.04984	5.6
107.08614	15.6
109.06540	7.2
109.10171	7.0
111.08070	4.8
117.07055	8.7
119.08600	45.8
121.10185	9.4
123.08076	4.9
127.03977	4.0
128.06262	6.0
130.07802	4.2
131.04930	11.3
131.08586	9.0
131.20940	2.9
133.10124	27.4
135.08130	4.7
135.11685	3.2
137.05965	4.7
137.09560	3.4
141.07036	3.5
142.07819	5.9
143.08588	18.6
145.10141	56.2
147.08131	7.3
147.11719	28.3
153.05464	3.7
156.09421	4.3
157.10144	17.9
159.11711	14.7
161.09650	27.5
161.13283	7.9
163.11235	6.1
165.09106	2.9
171.11641	3.5
173.09590	2.9
173.13307	5.0
175.11194	9.5
175.14842	54.8
185.13290	33.6
189.12836	3.2
191.10756	6.8
203.14342	100.0
203.16196	6.4
205.12311	2.8
221.15404	10.1
231.13792	36.3
249.14851	31.2
249.51871	3.0
296.17609	2.9
303.05063	8.6
331.17065	2.8
345.79480	3.1
446.19226	3.6
446.25195	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	446.3754
Annotation	Unknow
Peak:m/z	Relative Intensity
64.65812	0.6
67.05498	0.7
68.23449	0.5
69.35835	3.2
74.74110	0.5
81.07010	0.6
90.95684	0.5
95.08624	0.6
98.21521	1.1
109.10132	1.6
119.08512	0.7
121.06487	1.3
135.08011	0.7
136.08835	1.7
137.09615	2.2
164.08379	5.6
164.22404	0.5
165.09123	16.8
196.09486	0.5
205.12212	0.7
221.31429	0.5
347.14410	0.6
359.12854	0.7
370.13367	0.6
370.27182	0.6
371.13055	0.6
372.13971	0.8
373.14468	4.5
374.15121	1.9
375.16150	0.8
386.15143	1.0
387.15988	4.8
388.16705	5.6
389.17676	4.9
390.66101	0.6
401.13278	1.2
401.17682	1.8
402.13675	1.0
402.18860	2.6
403.14795	0.9
403.19293	8.5
404.20114	1.1
410.11160	0.5
415.15240	2.1
416.15701	5.7
417.16443	7.9
418.21854	3.7
419.22400	4.2
428.36462	12.5
430.17252	3.5
431.18265	15.0
432.19165	1.3
445.20087	2.2
446.20715	100.0
446.37137	3.3
447.21658	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	447.2015
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	12.1
55.05515	4.7
57.03429	5.0
67.05495	10.8
69.03421	7.2
69.07051	8.3
70.09624	14.1
79.05490	10.0
81.07061	15.4
83.04982	9.9
83.18258	3.1
85.02908	7.8
85.06519	5.9
85.86949	3.2
91.05440	17.9
93.07031	17.0
95.04984	12.1
95.08617	11.9
103.05465	17.8
105.03397	100.0
105.04523	8.0
105.07043	27.4
107.04939	6.5
107.08595	8.9
109.06487	4.7
109.10155	7.4
111.08049	6.1
115.05473	3.7
116.06311	2.9
117.07005	7.6
119.04942	4.3
119.08562	17.1
121.06487	6.6
121.10174	10.6
123.04454	5.5
123.08037	3.5
125.09608	3.8
128.06198	9.7
129.07010	6.7
130.07796	3.2
131.04942	33.5
131.08577	21.0
133.06482	4.3
133.10176	20.6
135.08084	4.6
135.11743	5.4
137.06030	6.6
141.06990	3.7
141.34608	3.2
142.07751	4.3
143.08568	18.9
145.06590	4.4
145.10132	15.4
147.08060	13.7
147.11739	4.9
149.02336	15.7
151.07518	3.9
157.10143	9.2
159.08105	19.1
159.11655	6.3
161.09607	53.9
161.13348	4.0
163.11224	4.3
165.09093	4.4
168.09329	4.5
171.08051	6.2
171.11684	6.4
173.13295	12.0
175.07521	4.5
177.09106	22.5
182.37442	3.1
183.11690	9.0
187.11125	3.4
189.09131	36.8
189.12746	11.6
197.13235	3.9
199.11185	6.9
201.12769	26.2
207.10226	14.1
207.13803	6.0
211.11063	3.4
217.12289	11.4
219.10002	3.6
219.13799	7.1
229.12286	21.7
235.13330	7.0
236.38643	3.3
247.13293	16.4
259.13367	3.6
267.19891	2.8
313.08170	2.9
361.02591	4.6
438.35693	3.1
447.09354	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02392	3.1
53.03952	9.0
55.01881	4.1
55.05509	2.5
56.05890	1.1
59.05000	2.4
67.05514	5.6
69.03437	2.0
69.07066	3.6
71.05011	1.3
77.03947	3.9
79.05506	8.7
81.03421	2.0
81.07077	8.2
83.04987	6.0
85.06541	1.5
87.43547	1.2
91.05491	15.3
93.07070	7.9
95.04988	11.6
95.08615	6.8
97.06554	1.8
103.05495	2.9
105.03403	100.0
105.04539	3.8
105.07044	21.9
105.19914	1.3
107.04967	6.6
107.08617	8.0
109.02910	1.5
109.06532	3.1
109.10142	2.5
111.04416	1.5
111.08086	1.9
115.05524	1.5
117.07036	6.0
119.04963	1.8
119.08585	13.8
121.06516	2.2
121.10125	2.5
123.04413	3.6
123.08045	3.0
123.61324	1.1
124.03921	1.3
125.05981	1.2
128.06241	8.2
129.07092	6.3
131.04924	5.2
131.08588	19.8
133.06516	4.2
133.10153	13.3
135.08084	3.4
135.11661	1.5
137.09576	2.9
141.07021	3.1
142.07790	1.8
143.08592	16.6
144.05685	1.3
145.06464	4.5
145.10141	12.6
146.07288	1.7
147.08055	9.7
147.11696	2.7
149.02348	4.1
149.06015	3.5
149.09610	5.1
149.13213	1.3
151.03912	1.2
151.07578	1.6
153.05507	1.3
155.08548	4.2
156.09346	1.8
157.06477	1.2
157.10126	4.4
159.08070	21.7
159.11676	4.6
161.06007	2.6
161.09634	52.9
165.09122	3.7
168.09367	4.3
171.08060	5.7
171.11705	3.5
173.09631	2.8
173.13332	7.4
175.07570	3.4
175.11162	1.7
177.09117	21.4
179.10643	1.5
183.11671	6.5
185.09576	1.6
185.13281	2.3
187.07611	1.5
187.11209	2.9
189.09142	36.4
189.12779	7.1
199.11278	5.9
201.12781	20.2
203.14481	2.0
207.10178	11.1
207.13821	5.4
211.11192	5.7
217.12274	9.7
219.10240	3.7
219.13765	9.0
229.12263	21.2
235.13351	7.4
247.13324	14.9
265.14496	3.1
277.14441	2.0
325.16147	1.5
429.18909	4.6
447.27362	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.3684
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	3.8
55.01880	9.5
55.05274	2.7
55.05519	37.6
57.07085	40.6
63.00437	2.1
67.05514	20.5
69.07081	73.0
69.81764	11.3
71.08643	28.0
79.05505	14.4
81.07073	62.8
83.04979	6.0
83.08635	45.6
85.06538	2.2
85.10204	16.6
91.05485	7.5
93.07056	34.3
95.08622	48.4
97.06525	6.0
97.10171	29.7
105.07012	2.7
105.90736	2.1
107.08609	32.3
109.06515	5.8
109.10180	22.0
109.28143	2.3
111.08093	11.4
111.11741	17.3
119.08576	5.8
121.06528	5.0
121.10148	14.0
123.08095	8.2
123.11722	9.6
124.05225	5.5
125.13269	5.3
135.08073	4.7
135.11703	13.4
137.05952	10.6
137.13271	7.0
139.07559	100.0
139.11203	2.3
143.23419	1.9
147.11700	2.8
149.09644	5.2
149.13281	14.0
151.07530	7.2
153.12718	2.2
161.09537	2.5
161.13158	2.3
161.66977	2.1
163.14861	16.1
165.05542	14.8
165.09155	23.1
165.16351	2.7
170.10947	2.3
175.11247	3.5
177.09111	4.5
177.16460	5.0
181.15877	2.1
189.12796	3.4
191.10614	2.9
193.08714	15.0
202.10135	2.0
203.10709	4.7
205.12146	3.2
217.12263	5.8
219.13814	3.0
221.11723	5.7
231.13756	3.2
233.22610	3.0
235.13240	2.8
280.57529	2.4
289.28882	13.4
307.30008	20.4
375.29001	2.6
399.36533	2.9
409.34277	2.3
417.37354	5.5
427.35666	8.1
445.36829	42.3
446.36887	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	445.4042
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	5.6
55.01868	3.4
55.05515	36.2
57.07082	38.4
63.04148	3.3
67.05507	31.4
69.03419	8.7
69.07072	62.9
69.37885	23.8
69.43690	3.4
71.04996	3.6
71.08636	26.2
79.05514	18.7
79.75092	3.2
81.06598	5.3
81.07059	94.2
83.08620	36.8
85.10175	12.6
91.05456	17.1
93.07047	38.9
95.08610	100.0
97.06532	15.1
97.10175	29.4
99.08064	3.5
105.07058	15.9
107.08595	45.4
109.06529	17.4
109.10169	54.3
111.04442	7.0
111.08095	17.2
111.11746	19.0
119.08626	18.6
121.06478	6.4
121.10159	38.3
123.08068	10.9
123.11722	33.2
125.06001	3.5
125.13261	4.2
131.08554	8.0
133.10129	16.1
135.08009	8.9
135.11693	31.3
137.05971	47.1
137.09590	9.0
137.13249	31.1
139.07542	14.0
145.10086	7.1
147.11676	12.5
149.09637	6.6
149.13255	32.6
151.07526	11.2
151.14804	11.7
153.09195	3.9
156.09306	3.8
157.10110	6.2
159.11655	9.8
161.09656	7.3
161.13235	13.8
163.11116	3.4
163.14833	18.9
164.11201	3.0
165.05524	3.9
165.09135	6.7
165.16403	4.8
167.07040	12.3
171.11705	7.4
173.13258	4.8
175.11183	6.4
175.14864	8.3
177.09123	33.2
177.12840	5.6
177.16345	12.4
179.07037	13.4
181.08487	4.1
185.13232	8.2
189.12711	10.3
189.16449	7.2
191.17984	4.8
193.08510	4.2
198.10445	9.3
201.16235	3.6
203.14391	5.9
203.17940	4.2
205.19543	22.2
207.13895	4.5
213.12730	12.1
213.73466	3.4
217.19504	3.7
219.13857	6.2
219.21092	7.1
289.28735	4.1
307.29898	3.9
333.79996	3.2
371.32925	4.2
385.34549	9.3
399.36237	14.7
403.35559	9.8
417.36948	4.5
427.39413	13.3
445.35815	29.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.5
55.01863	3.3
55.05502	6.3
57.03442	4.1
61.44401	1.4
65.57790	1.4
67.05502	12.1
69.03415	5.0
69.07059	6.4
69.38307	3.6
69.38722	9.3
76.80508	1.5
79.05466	4.0
81.03399	3.4
81.07049	6.0
83.04955	2.9
83.08617	5.1
85.02895	11.2
91.05480	5.7
93.07061	11.1
95.04977	4.5
95.08620	36.8
97.02878	3.2
97.10124	2.5
103.05475	30.7
105.03394	1.9
105.07038	8.1
105.08517	2.0
106.07398	1.8
107.08601	13.7
109.06517	4.4
109.10146	6.1
109.27451	1.7
113.06014	6.6
119.08573	7.2
121.06492	2.6
121.10175	23.2
123.08077	32.9
125.09665	2.6
127.03927	2.5
127.07579	2.6
131.04939	86.7
131.08586	2.4
132.36665	2.0
133.06488	2.1
133.10132	5.6
135.08115	2.9
135.11684	3.6
136.42006	1.8
137.05959	2.7
137.09567	3.4
139.07584	4.0
141.09125	3.2
147.11696	4.5
149.09610	5.5
149.13286	3.6
151.07561	4.5
153.09105	4.6
157.10112	3.3
161.09691	3.2
161.13271	2.5
163.11185	3.9
165.09164	9.7
167.10689	6.5
171.11646	2.0
175.11157	5.8
175.14857	5.4
179.10623	3.7
180.08571	1.6
185.13289	1.8
193.12260	6.4
203.14270	10.3
206.08556	1.7
221.15381	100.0
231.13759	4.4
234.10487	1.9
249.14890	59.8
265.27179	1.8
267.15955	65.2
285.03629	2.0
286.05020	7.7
301.07056	15.9
369.91467	1.7
437.86307	1.8
447.09332	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	445.3683
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.6
55.01868	4.6
55.05519	18.5
57.06836	1.8
57.07087	24.7
62.26472	1.4
67.05521	10.1
67.05820	1.5
69.03411	1.3
69.06734	1.9
69.07080	30.3
70.11065	2.6
70.11445	4.4
71.08653	13.8
73.64994	1.5
79.05511	11.6
81.07069	27.5
83.04996	4.0
83.08629	21.2
85.06560	1.6
85.10176	9.6
88.88178	1.3
89.11710	1.3
91.05484	7.5
93.07062	15.5
95.04993	1.6
95.08618	19.0
97.06551	2.8
97.10180	11.2
105.07055	11.8
107.08619	14.7
109.06536	18.4
109.10167	7.6
111.08089	4.8
111.11761	7.1
113.13288	1.3
118.36549	1.3
119.08603	4.1
121.06469	1.6
121.10159	5.7
123.08073	5.7
123.11707	4.9
125.06015	32.8
125.13309	3.2
131.08540	1.7
133.06523	16.9
133.10152	3.5
135.08057	6.8
135.11699	4.9
137.06000	83.3
137.09657	3.5
137.13266	1.9
138.06308	1.8
139.07552	26.9
147.11674	2.6
149.06033	2.5
149.09625	4.4
149.13293	6.2
151.07567	29.5
152.08357	1.4
153.09219	1.6
157.10175	1.7
161.06020	17.7
161.09689	3.7
161.13298	2.0
163.07497	2.0
163.14870	3.0
165.05505	3.5
165.09149	14.9
167.06995	3.0
170.10797	1.4
171.11726	3.1
173.09723	1.7
175.07550	1.6
175.11186	3.5
175.14754	1.4
177.09242	1.7
177.16449	2.2
179.07071	100.0
179.17995	1.6
180.07451	1.9
181.08607	1.8
189.12714	3.7
193.08656	6.6
193.12335	1.5
203.10794	3.4
203.14368	2.2
205.12265	1.8
213.12828	1.8
217.12285	2.6
219.13869	2.3
221.11888	1.9
231.13881	3.8
235.13393	2.8
249.15038	1.9
270.03363	1.3
289.28946	5.2
305.20972	2.3
307.29904	6.5
319.22531	1.8
385.34711	3.4
399.36197	8.6
403.35678	3.2
409.34564	1.5
417.37329	13.6
427.35324	6.0
439.03876	1.5
445.36829	99.6
446.37021	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.3679
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.4
55.05522	40.2
56.64314	3.6
57.07084	54.7
67.05514	20.7
69.07076	75.2
69.30993	2.7
70.11794	4.2
70.12216	9.0
71.08637	38.5
72.07751	2.7
75.97701	2.9
79.05500	22.5
81.07069	48.4
83.05000	17.9
83.08625	51.1
84.81400	2.6
85.10197	21.0
91.05481	24.9
93.07060	25.8
95.04960	5.5
95.08617	40.0
97.06531	3.6
97.10190	29.6
98.21480	3.3
99.50626	2.4
101.56807	2.6
102.21577	2.7
105.07044	19.9
107.08600	39.9
109.06561	9.3
109.10160	24.3
111.08074	4.8
111.11729	20.5
115.89418	2.5
117.07021	5.1
119.08598	23.8
121.06537	8.8
121.10149	16.9
123.08073	16.4
123.11729	10.6
125.05994	6.4
125.13285	5.7
130.46198	2.6
131.08572	7.5
133.06470	3.0
133.10138	14.0
135.08067	100.0
135.11720	10.4
137.05998	12.1
137.09636	11.3
137.13237	3.8
139.07564	23.3
142.61119	2.9
143.08592	9.5
145.10168	13.3
147.08046	7.4
147.11700	13.4
149.05969	21.6
149.09593	22.0
149.13287	7.7
151.07526	11.0
152.82278	3.1
153.09131	5.9
155.07144	2.9
157.10172	14.8
159.08083	6.1
159.11710	12.3
161.09592	17.7
161.13304	7.7
163.07571	12.5
163.11212	5.9
164.31575	3.1
165.09120	62.2
167.05635	5.5
167.07021	49.6
169.08612	9.3
170.10909	3.5
171.11691	24.0
173.09644	4.3
173.13293	9.8
174.10486	6.0
175.07613	4.9
175.11212	33.0
175.14839	7.6
177.09099	13.4
177.12772	8.0
179.07047	11.8
179.10648	7.5
181.08623	19.3
185.13252	10.4
187.11246	5.5
187.14825	6.3
188.08443	3.6
188.11865	3.6
189.09155	10.0
189.12794	26.0
191.10716	10.0
191.14331	4.9
193.08569	4.3
193.12299	3.5
199.11201	5.5
199.14801	3.2
201.09167	3.9
202.09906	17.1
203.10660	26.3
203.14320	10.3
205.12210	17.6
207.10214	7.1
213.12869	3.5
217.12268	7.9
217.15820	3.5
219.13751	6.5
221.11760	12.8
231.13869	10.6
235.13411	3.6
245.15497	5.6
249.14914	3.9
263.16397	3.7
277.17953	3.4
307.19269	3.0
314.71732	2.9
333.24280	4.1
371.29807	3.6
399.36255	28.3
401.37680	15.4
409.34467	4.4
427.35785	38.7
445.36780	62.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.3679
Annotation	Topsentisterol C4
Peak:m/z	Relative Intensity
51.78761	2.5
52.55097	2.1
53.03941	4.7
53.49272	2.4
55.01871	5.8
55.05516	36.4
56.84900	2.3
57.03444	2.4
57.06832	3.1
57.07080	41.3
67.05509	34.4
69.07072	80.2
69.56689	13.4
71.08638	33.8
75.72986	3.0
79.05500	26.4
81.07060	92.4
81.07536	4.9
83.04984	4.1
83.08633	44.6
85.10186	23.5
87.65043	2.4
91.05477	25.9
93.06483	5.3
93.07053	58.2
95.05016	3.5
95.08613	100.0
97.06554	7.7
97.10172	31.1
101.58634	2.5
105.07037	53.6
107.08602	60.5
109.06537	5.9
109.10158	61.4
111.08108	6.6
111.11712	19.8
114.25719	2.6
117.07036	7.1
117.58312	2.4
119.08589	46.6
121.06504	2.6
121.10152	43.6
123.08068	7.8
123.11716	29.9
125.13307	4.8
128.06219	2.4
129.07063	4.8
130.07750	3.1
131.08592	29.8
133.10136	38.3
135.08072	6.2
135.11700	25.0
137.05998	6.9
137.09612	5.1
137.13284	13.1
139.07541	36.9
143.08569	10.8
145.10132	36.2
147.11702	30.0
149.09650	6.8
149.13297	20.0
151.07556	5.5
151.11147	2.9
151.14853	5.9
153.09091	3.9
155.07076	14.4
155.08517	3.0
157.10144	10.2
159.11685	29.5
161.09729	4.6
161.13255	15.6
163.11227	5.9
163.14821	15.0
165.09132	22.8
165.16400	5.4
169.05045	2.9
171.11723	9.4
173.09698	3.0
173.13287	11.5
175.11229	5.7
175.14851	10.4
177.09142	8.4
177.16403	5.6
179.10690	7.3
185.13310	12.5
187.14882	7.7
189.12808	3.1
189.16432	10.7
191.10692	14.9
191.18060	4.0
193.08578	5.0
193.12225	4.9
197.13315	3.4
199.14807	8.3
200.74643	2.9
201.16470	11.1
203.10724	2.9
203.17999	8.2
205.12294	7.4
207.13892	4.4
207.21083	4.6
209.11703	5.0
213.16386	5.2
215.17923	2.9
217.12233	2.7
217.19400	3.5
219.13863	6.9
219.21207	4.0
221.11746	2.9
227.17946	6.3
231.13965	6.1
231.21146	5.6
233.15361	7.3
233.22751	5.0
235.24184	4.9
245.15427	6.0
245.22664	3.6
247.16986	2.6
247.24240	7.0
259.17130	3.6
261.25754	8.8
263.16531	4.3
273.18481	5.3
273.25537	3.3
277.01202	2.5
287.20071	9.7
289.29004	7.8
305.21252	4.2
307.30051	6.9
329.24719	2.7
341.32056	12.2
343.33755	23.4
367.33493	6.4
385.34949	4.3
399.36017	4.0
409.34573	3.4
427.35654	51.6
428.36584	2.8
445.20221	5.7
445.36868	98.6
446.36865	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2955
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11100	2.3
53.03938	7.4
55.05519	21.1
57.03431	3.1
67.05183	4.0
67.05514	60.5
69.07071	18.2
71.04986	3.9
71.51547	3.2
73.04768	4.4
79.05505	43.8
81.07069	50.8
83.04989	5.5
83.08637	9.6
85.06572	3.5
87.27361	2.6
91.05474	68.9
93.07054	43.8
94.09915	2.5
95.04977	7.6
95.08620	34.6
97.06522	6.5
97.10204	3.9
103.05456	3.4
105.03397	7.0
105.04546	4.3
105.07047	61.1
107.04975	4.3
107.08605	24.0
109.06530	2.7
109.10171	12.9
111.08137	4.7
111.61272	3.3
115.05483	4.5
117.07011	34.2
119.04992	2.6
119.08600	36.6
121.06529	5.6
121.10146	16.7
128.06241	6.5
129.07042	18.7
131.08582	48.6
133.10139	20.2
135.08098	3.8
135.11743	4.6
140.92476	2.7
141.07018	7.2
142.07857	4.1
143.08577	23.9
145.10136	33.3
147.11717	9.4
149.13319	3.2
155.08597	11.6
157.10159	12.4
159.11705	8.5
161.13293	4.8
163.11171	3.1
167.05579	3.7
167.08635	4.0
169.10161	13.8
169.99803	3.1
171.11752	8.3
173.13287	5.8
181.10048	4.5
183.11732	7.1
185.13321	9.9
187.14885	6.1
195.11777	4.7
197.13290	9.7
199.14978	3.2
201.12737	4.9
209.13232	3.1
211.14810	5.9
233.15344	3.6
241.15881	4.4
247.17018	4.4
271.44952	2.7
273.18301	3.4
325.25272	4.0
335.23849	4.0
343.26489	6.5
353.24683	21.4
359.03076	5.1
371.25998	18.8
389.26947	18.7
396.82990	2.9
427.28525	5.9
445.29602	100.0
455.25980	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2953
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64421	1.3
53.03933	5.7
55.01859	4.5
55.05516	18.7
57.03436	2.7
57.07072	1.6
58.65111	1.3
65.03937	2.2
67.05509	53.3
69.03438	2.2
69.07069	15.8
71.04975	3.4
71.16246	3.5
73.04760	1.9
76.14841	1.5
77.03932	2.3
79.05499	41.8
81.03425	3.3
81.06593	2.1
81.07062	41.0
83.04988	4.0
83.08627	8.4
85.06508	2.6
88.28906	1.3
91.05485	61.2
93.07049	36.7
95.04978	5.8
95.08065	2.4
95.08618	30.8
97.06533	5.4
97.10173	3.9
103.05444	2.5
105.07043	54.7
107.04972	3.6
107.08612	21.7
109.06505	5.5
109.10192	10.2
111.08105	2.6
114.94593	1.3
115.05450	4.2
117.07033	23.2
119.04853	1.2
119.07810	2.6
119.08593	36.2
121.06493	6.7
121.10175	12.2
123.08062	4.5
123.11668	3.9
125.09625	2.3
128.06238	5.1
129.07018	19.1
131.08582	39.4
133.06483	2.7
133.10133	19.1
135.08098	2.9
135.11726	5.2
141.07036	7.1
142.07771	2.2
143.08563	20.7
145.06480	2.2
145.10132	22.9
147.08034	4.6
147.11743	8.4
149.09628	2.8
149.13248	1.7
151.11215	1.7
155.08560	9.3
157.10172	10.7
159.08130	2.9
159.11700	12.6
161.09622	2.4
161.13283	2.4
163.11176	1.8
167.08527	3.4
169.10120	8.4
171.11700	8.3
173.13257	3.6
175.11168	2.9
181.10104	5.7
181.11711	1.3
183.11729	6.8
185.13266	6.1
187.14868	4.0
189.12865	1.7
195.11722	2.9
195.87067	1.7
197.13271	5.9
199.14888	3.2
201.16391	2.0
209.13210	4.3
211.14792	3.3
213.16512	1.8
215.14336	1.6
216.79288	1.5
223.14825	2.4
225.16306	2.9
233.15364	2.7
237.16316	1.9
241.15964	2.3
244.28526	1.6
245.19264	1.6
247.16914	3.6
259.17023	2.8
261.18631	3.3
273.18469	1.8
291.10229	1.6
325.25186	3.4
335.23752	4.9
343.26367	5.6
353.24823	17.5
354.25586	1.6
371.25861	22.5
389.26868	17.1
427.28152	3.7
445.29504	100.0
446.29996	3.1
461.12872	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.3679
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.4
55.01888	10.5
55.05275	2.7
55.05516	43.8
57.07081	52.3
57.55424	2.0
63.19620	2.1
65.03934	2.3
67.05509	24.3
69.07073	83.1
70.74995	3.0
70.75308	3.4
71.05007	2.3
71.08639	30.7
79.05505	20.4
81.07059	61.4
83.04980	6.3
83.08627	45.8
85.06541	2.8
85.10183	16.9
91.05466	9.7
93.07047	35.7
95.04998	3.6
95.08613	50.4
97.06527	8.5
97.10175	30.8
99.04493	2.1
105.07034	4.6
107.08598	28.5
109.06525	5.5
109.10155	22.9
111.08094	12.9
111.11725	18.1
119.08596	3.2
121.06491	8.6
121.10157	14.4
123.08074	9.4
123.11726	9.7
124.05202	7.3
125.13283	7.2
133.10101	3.7
135.08058	2.7
135.11691	14.1
137.05986	8.7
137.09595	2.7
137.13240	6.7
139.07550	100.0
147.11746	3.1
149.09659	4.5
149.13251	14.2
151.07579	8.5
151.14818	3.4
153.09131	2.2
161.09639	2.8
161.13322	2.3
163.14841	15.7
165.05492	20.1
165.09109	23.0
172.36571	1.8
175.11229	4.7
177.09134	4.6
177.16283	3.3
179.10608	3.1
179.17969	2.7
185.06422	2.1
189.12717	4.5
191.17981	3.1
193.08606	15.8
195.10196	2.0
203.10695	7.0
217.12253	5.2
219.21135	2.5
221.11650	5.1
231.13731	3.9
234.22839	2.1
235.13219	2.0
241.16122	2.1
289.28860	19.3
295.94827	2.0
307.30014	22.7
402.21228	2.3
417.37274	5.6
427.35690	4.9
445.36859	46.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2951
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.8
55.01873	3.2
55.05515	19.9
55.19126	2.4
61.16243	2.3
65.03961	5.2
67.05515	42.6
67.84022	2.2
69.07069	14.5
70.80261	6.2
71.04992	3.9
73.04763	3.3
78.54749	2.4
79.05494	35.6
81.07066	41.5
83.05000	4.0
83.08615	7.2
85.06520	2.2
91.05471	52.9
93.07053	36.1
95.04961	6.4
95.08624	26.2
97.06535	4.2
97.10185	3.2
103.05499	3.7
105.03416	15.7
105.04544	2.7
105.06392	4.1
105.07040	43.6
106.02937	5.7
107.04951	7.2
107.08582	15.1
109.06496	4.2
109.10159	9.1
111.08091	4.4
115.05416	2.6
117.07030	25.9
119.08579	27.4
121.06544	4.0
121.10147	13.4
121.28528	2.2
124.03960	4.1
125.09679	2.7
128.06181	2.3
129.07002	17.9
131.08575	41.2
133.10146	18.7
135.08066	5.9
135.11729	6.7
135.27983	2.3
141.07007	4.3
142.07712	3.4
143.08566	16.5
145.10141	21.6
147.08083	2.6
147.11728	5.3
149.09619	2.5
149.13266	2.9
150.23441	2.8
155.08565	9.3
157.10155	14.4
159.11717	9.8
160.07603	6.3
161.09592	3.5
161.13199	3.1
163.15009	2.7
167.05632	2.3
167.08582	3.4
169.10138	6.3
171.11714	7.2
173.09624	2.4
173.13295	4.2
175.11131	3.9
178.08665	5.3
181.10167	5.5
183.11768	4.2
193.02328	2.7
195.11720	4.2
197.13338	4.3
199.14835	3.7
206.08159	4.5
209.13243	5.1
211.14833	4.4
225.16350	3.9
227.53606	2.9
233.15398	4.8
247.16898	4.3
257.03256	2.3
261.18631	2.9
325.25192	3.9
335.23987	6.6
343.26361	4.8
353.24838	13.3
359.02844	4.8
371.25833	16.1
385.97037	2.6
389.26807	15.3
427.28171	3.8
445.29535	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.4203
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	3.3
56.05034	0.5
57.07080	0.7
59.29477	0.2
65.17117	0.3
67.05512	3.4
69.07075	5.2
69.13965	0.2
69.27010	2.6
71.08621	0.7
78.70455	0.3
79.05492	1.1
81.07063	7.5
83.08633	2.9
84.08142	0.3
91.05482	0.4
93.07058	2.4
95.08617	12.2
97.06499	0.3
97.10196	1.9
99.13904	0.4
105.07063	0.9
107.08603	3.6
109.10169	9.7
114.09184	0.6
119.08620	0.7
121.10161	3.8
123.08073	0.5
123.11714	4.3
124.95027	0.3
125.09660	0.6
125.13253	0.3
126.09135	0.3
128.10759	0.8
133.10132	0.6
135.11713	3.1
137.13271	2.4
140.10742	0.5
142.12297	0.6
147.11693	0.6
149.13290	2.8
151.14825	0.8
157.52348	0.3
161.13266	0.7
163.14816	1.0
166.83072	0.3
175.14865	0.3
177.16429	0.8
179.14354	0.6
191.17882	0.3
205.19550	1.5
211.95355	0.3
212.80089	0.3
444.42056	100.0
445.42465	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	445.1112
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27001	7.1
55.01865	9.6
56.96583	28.9
57.03428	18.6
59.37925	6.0
60.04531	8.2
61.02930	9.0
62.06092	14.3
69.03437	50.2
69.74821	25.6
71.01357	16.1
71.04988	7.7
71.46843	6.0
72.08150	20.8
72.52630	5.6
73.02917	18.7
81.03407	10.4
84.08128	6.2
84.96032	19.2
85.02919	100.0
86.06075	69.0
87.04459	5.9
97.02890	39.9
98.97599	83.5
101.00889	28.5
109.02905	11.0
110.97588	49.1
111.02871	7.5
112.99140	8.1
113.00874	32.9
115.02473	11.2
116.98620	21.2
119.01915	24.4
126.02850	7.3
127.02425	6.4
127.03903	33.3
128.98619	22.5
131.00075	7.4
131.01939	34.1
132.06570	8.8
138.97023	7.5
143.00171	6.7
143.01909	27.2
145.03452	17.2
145.04965	24.4
146.99586	9.9
155.01878	16.5
156.98146	11.6
157.03510	19.1
158.99666	10.5
159.01366	17.4
161.02985	14.8
164.07030	6.0
167.01978	14.4
168.97978	7.6
169.00989	7.4
170.99702	6.9
171.01477	10.7
173.01268	7.6
173.02983	13.6
173.09212	19.0
174.99283	12.3
177.00670	9.6
177.04089	7.4
179.02122	18.8
183.04997	17.6
185.03011	27.0
186.03123	8.0
186.99120	6.2
195.05025	7.4
197.03047	21.3
201.08708	10.4
203.04021	18.2
214.98640	11.3
219.01788	22.7
221.05040	8.3
223.06616	21.0
225.02467	11.8
235.04692	10.9
237.02901	17.0
239.04369	22.5
240.93307	7.3
243.03621	7.6
245.05127	37.4
245.11397	27.5
263.06033	11.5
265.07562	13.9
273.07599	14.5
273.58292	7.8
281.05411	17.5
281.08838	6.0
299.02493	9.3
329.03543	16.7
343.03482	6.3
345.01303	17.3
347.04517	9.9
363.02396	11.1
377.04126	8.3
406.53751	6.1
413.02750	7.0
445.04895	39.1
445.11145	82.0
445.18161	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	445.2953
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	5.8
55.01877	5.0
55.05523	20.6
57.07092	3.4
57.47717	2.0
67.05510	49.7
69.03438	3.5
69.07079	20.9
78.20764	2.2
79.05070	3.3
79.05495	35.6
81.07064	40.4
83.05009	3.5
83.08611	9.7
85.06548	3.8
91.05476	54.6
93.07053	49.9
95.04956	6.1
95.08618	39.7
97.06535	6.0
97.10186	5.5
99.08070	2.9
103.05484	4.0
105.07040	56.8
107.04971	4.0
107.08594	20.5
109.06561	5.8
109.10181	16.0
111.08030	2.4
115.05453	5.1
117.07043	24.9
119.08591	40.8
121.06490	7.1
121.10142	18.8
123.11725	8.8
125.09633	2.6
128.06197	5.1
129.07030	16.4
131.08577	44.2
133.06502	3.0
133.10138	17.2
134.08640	2.4
135.08075	3.7
135.11690	8.8
137.09703	2.8
141.06999	4.8
142.07762	2.9
143.08578	17.9
145.06572	2.7
145.10121	23.1
147.08087	4.3
147.11702	7.4
149.09654	2.8
149.13278	5.3
155.08614	8.9
157.10176	14.5
159.11650	13.1
161.13242	3.7
165.09140	2.9
167.05664	4.5
169.10135	7.5
171.11682	11.1
173.13271	7.5
175.11214	3.2
175.14761	3.5
181.10135	6.9
182.19002	2.8
183.11765	5.9
185.13251	5.3
187.14888	4.1
189.16414	2.8
197.13298	5.6
199.14868	2.8
201.16388	3.2
209.13327	3.9
211.14915	5.1
213.16362	3.2
223.14842	4.2
227.17911	2.6
233.15347	5.0
241.15912	3.5
247.16980	3.2
258.33951	2.8
261.18521	3.4
325.25146	4.5
335.23807	5.3
343.26453	5.5
353.24854	16.4
371.25851	18.2
389.26837	20.9
394.28485	2.7
427.27792	3.9
445.23489	5.5
445.29529	100.0
445.36569	9.3
445.42099	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	444.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	0.8
57.03429	1.2
57.11083	0.8
59.04990	2.1
60.13393	0.8
61.02916	2.1
62.81298	0.8
69.03424	7.0
69.21726	1.5
69.22142	7.2
73.02901	1.9
80.51216	0.8
81.03405	3.2
81.07008	0.9
85.02907	11.2
86.09709	1.8
87.04475	1.8
95.85961	0.8
97.02899	5.3
98.01167	0.9
98.34480	0.7
99.04449	1.1
109.02862	2.4
113.47511	0.9
115.03928	1.0
115.11224	1.0
117.05750	3.7
127.03921	3.1
131.07294	0.9
132.08098	22.2
136.07504	1.1
145.05099	3.7
160.07585	40.7
162.11510	1.0
178.08636	61.0
179.09021	1.1
185.29616	0.9
206.08124	100.0
207.08488	1.2
224.09195	8.2
258.83508	0.9
264.12314	32.6
282.13364	89.8
283.13629	1.1
426.17554	6.1
444.18390	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	444.208
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.8
55.01864	2.3
56.42100	0.7
56.96564	5.6
57.03443	3.6
57.07080	3.3
59.05006	0.7
60.04520	0.9
61.02929	4.8
65.19754	0.6
67.05511	2.1
69.03435	10.9
69.07069	0.6
69.64935	3.4
70.06598	1.6
71.01363	1.7
71.04993	0.9
72.08171	3.5
73.02916	3.1
73.04752	0.8
74.06078	1.5
74.09745	0.6
81.03429	3.9
83.04998	1.2
84.08143	1.4
84.24538	0.6
84.96035	3.9
85.02914	35.0
85.06551	100.0
86.06055	0.6
86.06872	0.8
87.04479	1.8
89.10777	0.8
91.03976	1.8
93.07079	0.9
97.02898	15.7
98.03187	0.8
98.97591	12.4
98.98217	1.0
99.04454	2.3
103.07587	2.5
105.07053	1.0
106.36761	0.6
107.04975	1.3
108.06761	0.6
109.02908	4.0
109.06509	0.6
110.97575	5.0
115.03941	0.7
116.98611	4.5
119.01804	1.1
121.06525	0.7
121.08627	3.5
127.03916	10.3
128.98611	3.1
131.00201	0.8
134.99730	0.8
136.06232	2.0
137.05937	1.2
138.05534	1.0
139.03996	0.7
140.07048	0.9
143.00230	1.0
145.04980	13.1
146.16620	0.8
146.99673	1.2
147.04411	1.0
152.98621	0.8
156.98114	0.9
158.99670	4.8
161.13589	0.8
163.06062	3.9
165.09146	0.7
167.05637	0.6
167.07080	1.3
170.99716	2.1
174.99210	2.0
177.00746	2.2
186.04381	1.3
186.99168	1.2
187.04559	0.6
188.09610	0.6
189.00732	1.4
199.09683	5.4
201.00742	1.4
211.09740	1.9
213.00713	0.6
214.98589	0.8
219.01834	4.4
229.10738	10.5
233.06854	1.4
237.02811	4.5
250.06029	1.9
254.03719	0.9
259.06458	1.7
260.07349	6.3
265.12817	3.2
279.04108	0.8
303.07501	0.9
309.08609	1.1
315.07626	0.7
321.04935	0.8
321.08911	0.7
345.01395	1.0
444.15555	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	445.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	1.8
55.01867	2.1
55.05521	1.1
59.05008	1.0
65.62428	0.9
67.05521	1.7
69.03446	7.0
71.51217	1.5
72.08158	1.0
73.04753	1.3
76.88676	0.8
79.05518	2.2
81.03427	3.5
81.06585	1.1
81.07065	3.1
83.04974	1.5
83.85089	0.9
85.02917	11.4
86.09718	2.9
87.00856	3.7
91.05431	5.1
93.07055	7.0
95.04980	2.7
95.08633	3.0
97.02907	5.3
99.04495	1.9
99.08078	1.2
100.62941	1.0
105.01886	3.1
105.07060	6.7
107.08614	20.6
109.02898	5.4
109.06532	1.8
109.10201	2.2
119.08603	4.3
121.02918	1.8
121.06532	3.0
121.10171	1.9
123.11726	1.7
127.03919	9.0
127.36779	0.9
131.08644	1.7
133.06538	1.3
133.10147	22.3
135.08093	2.0
135.11714	17.9
137.05991	1.5
137.09650	1.8
145.05016	1.4
145.10141	1.6
151.03943	1.0
151.11157	1.7
159.02913	1.2
159.08119	1.4
161.09633	9.9
167.07210	1.0
173.09575	2.5
173.13271	1.9
179.09129	2.1
179.10684	31.1
197.11760	100.0
198.12212	1.5
231.05161	2.3
234.99081	1.3
247.13087	1.0
254.35399	1.0
379.16077	1.8
409.16147	1.2
411.00500	0.9
445.20648	5.2
461.24161	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.3889
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93386	3.1
55.05505	21.5
57.07063	9.0
67.05513	37.5
67.71853	2.8
68.19067	2.7
69.03432	3.3
69.06743	2.8
69.07076	36.7
71.04996	3.2
71.08630	6.5
71.51597	4.2
73.02898	4.4
75.06383	2.8
77.22561	2.8
79.05486	29.4
81.07063	67.3
83.08627	16.9
84.78384	2.5
85.06544	6.1
85.10171	3.5
87.04483	4.0
91.05476	18.0
93.07056	35.1
95.08612	100.0
97.06503	3.5
97.10182	9.8
105.07030	41.6
107.08599	91.2
109.10160	85.0
111.08072	3.3
111.11711	10.4
117.07001	5.6
119.08575	30.3
121.10158	48.4
123.11712	37.0
125.09595	4.2
131.08551	7.6
133.10139	37.4
135.08060	4.1
135.11688	30.2
137.09685	3.7
137.13275	28.7
143.08524	4.5
145.10117	13.1
147.11710	19.5
149.13255	27.0
151.11205	14.3
153.41681	3.4
159.11696	10.9
161.09517	3.3
161.13254	15.0
163.11166	4.1
163.14824	15.4
165.09145	3.7
169.12187	4.0
171.11700	4.8
173.13307	6.4
175.14841	8.1
177.12888	4.2
177.16380	11.9
181.12308	4.1
185.13261	3.8
189.13000	3.6
189.16342	10.4
191.16444	3.0
191.17929	17.2
201.16389	5.0
203.17905	8.1
205.19534	15.9
207.17500	3.6
217.19505	6.8
219.13947	3.8
219.21088	3.6
229.19533	4.8
237.18552	4.6
241.19604	4.6
245.22650	8.0
261.09732	3.1
267.19867	3.3
268.49304	3.0
287.20004	3.5
397.34622	10.4
425.33746	46.5
425.42798	3.4
426.34549	4.2
443.33994	18.7
443.38675	42.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
54.76177	1.2
57.03435	1.9
61.20074	1.3
67.05505	2.6
69.03450	1.4
69.07063	3.0
70.12635	5.0
79.05492	3.5
81.03424	2.4
81.07068	3.0
83.05006	1.6
85.06535	1.5
91.05482	3.9
93.07053	3.3
95.08626	2.2
99.04496	1.5
105.07027	3.9
107.08625	4.8
108.08949	1.9
109.06556	1.5
109.10172	2.5
119.08604	4.3
120.21603	1.3
121.10163	1.6
137.09608	2.2
140.04936	4.2
142.06479	1.4
143.08556	1.6
145.10149	1.8
147.07890	1.4
149.09743	1.8
151.07529	2.4
155.06044	16.8
159.11801	1.4
161.09320	1.5
164.11708	1.5
165.09117	3.3
166.06563	1.7
166.09357	1.5
167.06087	4.0
168.06853	3.2
169.07614	38.3
170.06041	3.2
179.06020	10.1
181.07652	3.8
182.06035	2.1
182.10506	1.8
183.05547	19.9
183.09203	2.2
185.07130	6.9
193.07632	12.2
194.06143	1.6
195.05557	26.2
196.06303	13.3
197.07117	26.4
198.05562	4.8
199.87920	1.4
207.05632	6.0
208.06374	2.7
209.07117	4.2
211.05060	5.2
211.08690	5.5
213.06612	22.3
221.07124	21.8
223.05014	2.0
225.06595	48.8
229.06116	20.4
237.06660	4.0
238.07440	3.9
239.04570	3.4
239.05743	1.7
239.08179	27.7
241.06090	3.3
243.07655	5.7
249.06705	6.7
253.06146	11.2
255.07550	1.7
257.05634	5.9
265.06210	3.0
267.07663	15.4
269.05511	2.3
271.07135	31.2
277.06091	11.9
283.07031	2.3
285.08752	30.5
285.36288	1.5
293.23325	1.6
295.07175	34.0
312.09903	2.2
313.08203	40.1
331.09262	8.2
338.14951	3.9
340.25351	1.6
377.56531	1.7
380.16016	13.3
384.15576	48.7
385.16013	1.8
398.17169	24.8
426.16660	45.1
444.17694	100.0
445.17905	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.3888
Annotation	Epigermanidiol
Peak:m/z	Relative Intensity
53.03955	2.9
53.17839	2.4
55.05521	12.8
57.07074	8.6
65.13511	2.4
67.05507	25.6
67.76793	2.7
69.03430	4.2
69.07069	29.3
71.04969	4.6
71.08639	2.8
73.02932	14.0
79.05495	21.4
81.06595	4.6
81.07060	57.9
81.55866	2.4
83.04984	3.9
83.08609	15.7
85.06533	8.6
87.04479	4.2
91.05497	16.8
93.07052	40.5
95.08614	100.0
97.06513	3.3
97.10178	8.8
105.07032	30.8
107.08595	63.2
109.06561	4.0
109.10161	72.9
111.08073	4.0
111.11732	4.7
119.08617	15.3
121.10146	49.8
123.08064	4.3
123.11706	34.3
125.09651	7.7
127.81907	2.6
133.10138	20.6
135.11705	29.4
137.09631	3.8
137.13249	28.4
145.10103	4.6
147.11661	6.7
149.13240	36.1
151.11189	48.4
151.14828	9.4
153.12737	6.0
159.11621	3.7
161.13283	7.4
163.14822	14.7
165.16426	2.9
169.12265	7.6
175.14873	4.7
177.16393	8.2
187.14830	3.4
189.16365	6.5
191.17958	11.1
203.17975	5.1
205.19531	27.3
217.19554	10.6
219.21036	2.9
231.20999	2.9
273.25717	3.5
369.35178	5.3
373.30423	3.0
425.38071	12.5
443.33530	11.9
443.39023	60.2
449.79279	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.3888
Annotation	alpha-Onocerin
Peak:m/z	Relative Intensity
51.88593	2.0
53.03935	2.0
55.05513	13.2
57.03426	2.3
57.07063	6.6
67.05229	2.0
67.05515	21.0
69.06728	2.7
69.07074	31.4
70.68648	2.3
70.68990	3.9
71.08618	2.0
79.05503	12.3
81.06590	3.3
81.07064	58.7
83.08617	12.3
85.06536	2.8
89.90143	2.2
91.05479	15.1
93.07053	42.7
94.04372	1.7
95.08614	100.0
97.06516	3.1
97.10181	8.9
104.61998	1.8
105.07039	30.7
107.08602	77.6
109.10165	72.2
111.08095	4.7
111.11729	11.5
117.07019	2.6
119.08585	61.5
121.10149	54.8
123.08069	3.7
123.11723	30.9
131.08531	3.8
132.82774	2.1
133.09125	3.1
133.10135	50.8
135.10706	3.3
135.11702	48.7
137.09596	3.0
137.13271	17.9
145.10132	11.8
147.11703	37.4
149.13255	16.6
151.11191	3.7
157.10031	1.9
159.11696	10.8
161.13286	26.0
163.14833	19.5
173.13222	6.5
175.14841	20.0
177.16414	17.2
179.14313	4.8
179.17874	2.7
187.14835	9.8
189.16396	53.8
191.17957	25.5
199.14815	2.3
201.16400	7.9
203.17973	34.8
205.19501	15.7
207.15581	3.7
207.17455	51.8
215.17931	14.2
217.19543	28.6
219.17439	2.5
219.21039	5.2
221.19022	36.0
229.19533	8.7
231.21074	17.2
233.18924	2.7
243.21030	4.4
245.22638	23.9
247.20633	6.3
257.22678	3.6
259.24139	2.5
271.24271	17.2
285.25793	4.8
296.34543	2.1
297.25677	4.2
311.27451	3.5
407.36746	38.3
408.37415	2.6
423.94604	2.5
425.32217	3.7
425.37762	54.4
426.38251	2.7
443.33337	17.7
443.38818	55.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.3887
Annotation	alpha-Onocerin
Peak:m/z	Relative Intensity
50.96217	2.4
53.32652	2.1
55.05515	9.3
57.07073	8.3
64.01084	2.0
67.05506	24.8
68.96545	2.3
69.07072	35.4
69.17257	15.7
69.17686	8.9
73.02929	22.0
79.05488	15.0
81.07063	50.2
83.08616	12.1
85.06544	5.2
91.05502	7.5
93.07059	26.6
95.08611	100.0
97.10177	6.8
100.06136	2.2
105.07024	21.3
107.08604	52.2
109.10162	77.8
111.11730	10.7
114.14173	2.2
117.28977	2.4
119.08604	25.9
120.22725	2.2
121.10146	33.3
123.08090	5.1
123.11727	36.2
125.09648	5.0
131.08591	5.3
133.10127	26.3
135.11694	29.1
137.13242	22.5
145.10164	9.7
147.11703	16.0
149.13255	24.8
151.11198	21.3
151.14871	8.2
153.12802	6.2
159.11728	7.4
161.13255	11.6
163.14844	17.2
169.12271	3.1
173.13272	2.6
175.14867	11.0
177.16396	16.3
179.14362	2.8
179.18040	3.1
187.14946	4.0
189.16399	19.3
191.17981	12.2
201.16423	4.9
203.17976	12.6
205.19528	31.2
207.06136	2.5
207.17517	17.9
215.18045	6.7
217.19528	14.4
219.17508	2.6
219.21068	4.1
221.19069	9.8
229.19505	3.8
231.21150	7.8
243.20930	2.8
245.22757	9.9
247.20634	4.0
259.24292	5.6
271.24420	7.2
285.25821	2.6
369.35275	3.0
407.36783	12.6
425.37985	28.4
443.34381	5.7
443.38974	99.2
444.39642	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	443.3007
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	8.8
55.01874	18.5
55.05518	29.8
57.03441	38.6
57.07077	7.8
61.02932	7.6
65.03935	6.0
67.05509	89.1
67.10754	3.0
69.03436	71.9
69.07075	16.3
71.04986	12.3
73.02908	11.8
79.05491	42.7
81.03424	51.5
81.07060	91.8
83.04987	48.0
83.08610	8.2
85.02906	37.1
85.06554	3.9
85.23291	3.0
87.04459	11.2
91.03967	5.0
91.05482	24.3
93.07044	65.3
95.04984	4.2
95.08612	81.3
97.10181	3.4
99.04449	43.2
103.03944	13.4
105.07031	20.7
107.08604	50.0
109.10159	50.8
111.04445	41.6
117.07040	8.4
119.08585	20.5
121.10153	37.7
122.35522	3.0
123.08034	4.7
123.11704	32.2
129.05478	100.0
129.06950	4.3
131.08546	20.2
133.10121	16.6
135.11703	26.7
137.09602	4.2
137.13240	10.4
145.10132	18.1
147.06523	21.7
147.11696	10.6
149.13248	22.0
151.14804	5.0
153.12840	3.4
157.10089	4.8
159.11691	22.4
161.13280	14.5
162.03140	3.5
163.14861	13.1
165.07587	12.3
171.11710	3.5
173.13307	15.1
175.14821	4.4
177.12767	3.9
187.14790	8.4
209.15448	3.5
233.22491	3.6
243.21101	22.5
261.22168	97.9
263.23734	4.5
266.35779	3.3
279.23212	49.6
283.26407	3.0
325.64658	3.1
407.27985	10.7
425.28998	12.7
425.34384	3.5
443.30234	6.5
443.39783	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	443.2798
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83375	6.3
53.03932	12.2
55.01869	7.8
55.05502	26.2
65.03940	8.5
66.09799	6.2
67.05515	44.1
69.03417	28.6
69.07060	30.2
71.52156	9.0
77.92709	5.5
79.05498	64.7
81.03408	18.8
81.07068	73.0
82.07395	6.3
83.04978	45.3
85.02894	13.5
85.06519	9.9
86.09680	6.7
91.05505	67.3
93.07052	83.6
95.04961	25.3
95.08618	78.1
97.06519	19.0
99.00811	14.4
99.08073	10.3
103.05468	15.9
105.03345	6.6
105.07040	63.7
106.52179	6.4
107.04953	18.5
107.08607	100.0
109.06533	20.8
109.10176	58.5
111.08102	10.6
117.07007	18.9
119.08595	64.5
119.24345	6.8
121.06513	28.9
121.10151	62.1
123.08049	21.6
123.11738	10.9
125.05987	28.1
125.09631	9.5
127.03858	8.4
128.06223	7.7
129.05464	7.8
129.06972	13.6
130.07756	8.7
131.04901	24.0
131.08560	34.8
133.10162	33.5
134.38388	7.2
135.08040	25.0
135.11685	15.9
137.05962	16.5
137.09628	44.7
139.07550	11.4
139.11087	8.9
142.07742	13.2
143.07080	14.9
143.08600	23.6
144.09377	10.4
145.06355	6.8
145.10135	75.2
147.08081	9.4
147.11659	34.3
149.09634	31.0
149.13252	13.6
151.07552	33.1
151.11153	7.4
155.08554	14.5
157.10120	28.2
159.08113	12.5
159.11717	35.1
161.09607	26.9
161.13242	20.4
163.11198	34.6
165.07021	15.1
165.09155	35.7
166.07756	7.9
167.07002	18.8
167.08519	9.3
169.10112	11.6
171.11719	22.4
173.09630	23.2
173.13263	15.2
175.07518	6.6
175.11186	18.9
175.14781	14.3
177.09163	9.6
177.12788	25.1
179.08583	12.9
181.10156	15.3
183.11728	13.5
187.11223	11.8
187.14772	9.7
189.12718	27.2
191.10645	28.8
191.14423	8.9
195.11690	13.2
199.11215	11.0
199.14915	8.8
203.14325	9.5
205.10388	7.2
205.12285	24.8
207.08124	7.2
207.13857	9.5
209.13290	9.4
211.14812	14.9
219.13846	9.0
220.35855	6.6
221.15370	15.9
224.12289	6.5
225.12688	7.8
225.16475	7.9
227.14258	7.9
231.07967	7.7
236.51482	7.6
239.14177	7.4
249.09129	21.7
285.12970	14.0
301.21799	7.8
309.21838	7.2
339.12061	7.5
341.24884	12.4
347.23270	7.5
357.27850	13.6
363.64975	7.7
365.24655	16.9
383.25824	27.4
389.25052	8.1
407.25742	12.1
425.26758	18.7
443.27686	34.1
444.17621	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	443.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	0.5
53.03944	1.3
55.01866	1.0
55.05509	1.2
57.03436	2.0
61.02930	0.4
67.05501	0.6
69.03437	3.8
69.07085	0.3
70.43595	1.1
71.05007	0.7
72.83727	0.2
73.02941	1.2
77.03936	0.6
79.05516	0.4
81.03426	5.4
81.07066	0.8
83.04989	3.0
83.08629	0.3
85.02911	1.4
87.04481	0.6
91.05479	0.6
93.07056	0.6
95.04972	1.5
95.08577	0.3
98.39180	0.2
99.04453	1.2
102.04668	0.3
103.05473	40.9
104.05793	0.3
105.04535	0.7
105.07040	0.9
105.07708	0.2
107.08604	0.5
109.02886	0.3
109.06564	0.3
109.10198	0.4
111.04432	2.1
117.83044	0.3
119.08606	0.5
119.10626	0.2
121.10189	0.7
123.08105	0.4
129.05484	6.7
129.06976	0.6
131.04936	100.0
132.05212	1.2
133.10144	0.6
135.11722	0.3
135.42740	0.2
136.79381	0.3
137.09657	0.5
137.13264	0.3
144.05702	0.4
145.10175	0.5
147.06490	0.4
147.11798	0.3
151.07617	0.5
159.11736	0.3
161.09537	0.4
165.07628	0.8
165.09152	1.2
167.07065	0.5
175.07538	0.5
187.07475	0.5
187.11226	0.4
191.10657	0.2
251.18077	0.3
257.87149	0.3
277.10742	5.7
332.36893	0.3
339.12180	0.3
383.14859	0.5
405.40576	0.3
425.26709	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.228
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29795	2.0
53.03952	2.5
53.56057	2.0
55.01878	4.0
55.05520	32.3
57.03443	12.8
59.04996	7.0
61.02940	11.2
67.05500	3.8
69.03151	2.2
69.03440	26.8
69.07066	3.5
70.06599	3.9
71.04980	4.7
71.18311	4.5
72.08155	2.7
73.02921	5.0
73.06551	2.3
79.05499	11.1
81.03423	11.6
81.07075	13.6
83.04990	37.2
85.02914	74.2
85.06537	5.9
86.09653	2.0
87.04474	3.4
91.03991	3.5
91.05496	15.0
93.07058	11.9
95.04984	18.4
95.08611	10.6
97.02909	22.1
97.06534	4.9
99.04453	8.0
101.06033	24.7
105.07046	20.2
107.04972	3.3
107.08615	15.0
109.02886	10.7
109.06501	10.4
109.10165	9.5
111.04474	2.8
111.08147	2.3
115.05461	3.4
117.06998	5.2
119.08595	21.5
121.02885	2.1
121.06546	10.2
121.10160	16.3
123.04469	2.0
123.08135	3.0
125.06026	3.2
125.09640	3.1
127.03945	15.7
128.06216	3.5
129.07013	3.9
131.08554	6.4
133.06552	2.7
133.10162	15.2
135.08102	9.7
135.11696	8.1
137.05995	5.0
137.09634	3.8
141.07092	2.2
143.08557	8.3
144.09279	2.1
145.04951	13.2
145.06427	2.6
145.10123	15.8
147.08058	24.5
151.07550	3.8
157.10120	6.7
159.08015	10.9
159.11745	3.7
161.09644	11.5
161.13234	5.1
163.07481	2.8
163.11203	100.0
165.09200	3.4
169.10138	2.3
171.11659	3.2
173.09573	2.5
173.13342	2.5
175.11182	2.6
177.09120	14.3
177.12775	2.3
179.10687	5.3
181.12262	32.1
183.11694	2.3
185.13242	5.1
187.11179	6.4
189.09097	8.0
199.14799	2.4
203.14281	7.4
205.12418	2.8
207.07687	2.6
207.10197	16.5
223.13347	2.8
227.14319	4.2
233.15439	3.8
245.15379	16.6
263.16458	46.3
269.42969	2.4
281.11664	2.2
281.14963	3.4
281.17569	21.5
286.68069	2.1
328.26590	2.5
425.21628	4.6
443.17282	6.6
443.22784	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	443.1706
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42964	3.3
52.69633	3.8
53.03942	6.6
55.01866	12.8
55.05512	22.9
57.03440	18.3
61.02919	5.9
62.42108	3.5
65.03939	4.3
65.09381	3.3
67.05497	14.3
68.87154	3.5
69.03433	77.8
69.07065	8.5
70.06597	4.5
70.42442	12.2
71.01352	6.3
71.04992	8.7
71.83075	3.6
73.02911	14.2
79.05468	8.8
81.03419	85.7
81.07072	22.9
83.04543	5.6
83.04988	48.9
85.02915	44.1
87.04475	7.0
91.05487	72.0
93.07038	12.3
95.04942	6.2
95.08609	26.1
99.00804	15.0
99.04454	12.3
103.03941	6.1
103.05460	44.6
105.03342	8.1
105.07030	13.0
107.04963	4.6
107.08604	16.6
109.06512	8.8
109.10136	15.0
111.04433	43.8
115.05479	5.7
115.98524	4.5
117.06998	5.2
119.08591	21.0
121.06491	7.5
121.10165	11.5
123.08053	10.3
123.11743	9.8
125.05934	5.1
129.05504	64.4
129.07018	9.7
131.04901	6.7
131.08574	11.4
133.10129	15.1
135.08125	8.1
135.11707	7.2
137.06006	5.0
137.09689	7.9
141.07045	6.1
143.08568	9.3
145.10130	14.2
147.06546	18.5
147.11693	6.2
149.09604	8.3
151.07527	21.6
153.07008	6.3
157.10112	5.6
159.11679	7.9
161.09581	7.5
161.13275	4.4
163.11142	5.0
165.06966	24.3
165.09071	35.8
166.07814	45.8
167.07007	7.4
171.11659	4.3
173.13298	5.8
175.07547	7.0
177.09081	6.6
179.08591	16.0
179.10603	5.1
181.10135	100.0
189.09039	4.6
191.08563	5.1
191.10699	7.6
197.13293	3.8
199.14865	4.8
202.07799	4.1
203.08643	10.1
205.10132	36.0
205.12091	7.4
213.12865	6.1
215.08574	51.3
227.05334	4.4
231.08073	3.8
233.09654	46.7
235.07518	4.3
243.08034	7.7
245.06606	22.2
251.14079	4.4
254.11586	4.1
261.09216	23.1
307.09689	4.4
383.15234	5.3
383.41357	3.5
443.27640	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	443.1081
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96574	7.9
61.33047	1.1
63.33103	1.0
69.03439	2.6
71.41959	1.4
73.02921	2.0
81.39613	0.9
81.43951	1.0
85.02893	3.5
97.02861	2.1
98.97594	90.8
99.97902	1.2
100.97177	1.7
100.98007	1.2
100.99161	1.3
101.00889	2.4
102.96883	13.1
110.01241	1.2
110.97582	5.7
112.99147	10.5
116.98641	19.2
119.00195	1.2
119.01896	1.9
120.97915	2.1
124.99119	4.9
128.98605	4.3
131.00186	12.1
134.99615	2.6
136.16908	1.0
140.98608	1.6
143.00179	9.4
146.99585	1.8
149.01207	3.4
155.00153	2.9
157.03448	3.3
158.99657	13.6
161.01242	16.1
161.02696	2.0
165.00604	2.6
170.99643	5.1
171.55125	1.1
173.01230	15.7
177.00703	4.4
179.02307	25.8
182.99838	1.8
183.01569	4.0
185.01189	1.4
189.00673	1.9
191.02280	5.2
191.03862	2.5
192.04671	1.6
197.03378	8.8
200.04440	1.4
201.00757	3.6
219.01808	10.9
221.03357	13.2
221.05226	1.9
223.06645	2.1
225.02710	1.3
233.03336	2.5
237.02902	5.6
239.04393	35.0
240.04788	1.2
241.04747	1.9
243.03790	7.1
257.05597	2.3
261.00269	1.5
261.02759	3.8
263.06094	1.3
265.07547	1.1
272.06613	12.9
272.56653	1.2
278.29770	1.2
279.03897	2.0
281.07275	1.9
323.06262	2.2
334.54269	1.6
352.36142	1.1
383.08643	100.0
384.08954	2.5
404.20020	1.1
405.06522	3.7
405.11691	6.0
407.06140	1.5
407.10709	13.1
427.76416	1.3
429.73828	1.1
443.10974	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	443.1081
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96574	7.9
61.33047	1.1
63.33103	1.0
69.03439	2.6
71.41959	1.4
73.02921	2.0
81.39613	0.9
81.43951	1.0
85.02893	3.5
97.02861	2.1
98.97594	90.8
99.97902	1.2
100.97177	1.7
100.98007	1.2
100.99161	1.3
101.00889	2.4
102.96883	13.1
110.01241	1.2
110.97582	5.7
112.99147	10.5
116.98641	19.2
119.00195	1.2
119.01896	1.9
120.97915	2.1
124.99119	4.9
128.98605	4.3
131.00186	12.1
134.99615	2.6
136.16908	1.0
140.98608	1.6
143.00179	9.4
146.99585	1.8
149.01207	3.4
155.00153	2.9
157.03448	3.3
158.99657	13.6
161.01242	16.1
161.02696	2.0
165.00604	2.6
170.99643	5.1
171.55125	1.1
173.01230	15.7
177.00703	4.4
179.02307	25.8
182.99838	1.8
183.01569	4.0
185.01189	1.4
189.00673	1.9
191.02280	5.2
191.03862	2.5
192.04671	1.6
197.03378	8.8
200.04440	1.4
201.00757	3.6
219.01808	10.9
221.03357	13.2
221.05226	1.9
223.06645	2.1
225.02710	1.3
233.03336	2.5
237.02902	5.6
239.04393	35.0
240.04788	1.2
241.04747	1.9
243.03790	7.1
257.05597	2.3
261.00269	1.5
261.02759	3.8
263.06094	1.3
265.07547	1.1
272.06613	12.9
272.56653	1.2
278.29770	1.2
279.03897	2.0
281.07275	1.9
323.06262	2.2
334.54269	1.6
352.36142	1.1
383.08643	100.0
384.08954	2.5
404.20020	1.1
405.06522	3.7
405.11691	6.0
407.06140	1.5
407.10709	13.1
427.76416	1.3
429.73828	1.1
443.10974	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	443.1528
Annotation	Yadanziolide B
Peak:m/z	Relative Intensity
52.83904	0.4
59.45306	0.5
69.03429	0.8
69.47534	0.7
69.47950	2.3
70.06593	1.4
72.08152	0.9
79.32859	0.4
81.87315	0.4
83.01102	1.0
84.01910	0.5
84.18592	0.4
85.02913	2.2
91.05471	0.5
93.07043	0.6
93.99010	0.4
95.01091	2.2
96.01881	1.1
97.02892	0.8
105.07047	0.5
112.01339	1.5
113.02126	3.2
119.08569	0.6
123.00692	0.4
136.07510	0.6
137.09697	0.5
139.03981	0.6
147.09126	0.6
157.04741	1.1
158.09457	0.5
159.08008	1.0
185.04222	3.9
191.03127	0.8
201.03728	1.3
203.05202	0.5
206.05530	12.1
207.06163	1.1
233.11179	0.5
243.08286	0.9
245.15533	0.5
249.07417	1.4
259.07962	2.5
262.59598	0.4
263.16446	0.6
281.09970	0.5
281.14868	0.9
413.14297	1.6
443.15244	100.0
444.15710	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	442.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.6
53.90269	1.8
55.01866	9.1
55.05512	2.9
57.03439	16.8
60.04502	2.3
61.02926	16.4
65.81023	2.0
67.05505	3.7
68.43363	1.9
69.03089	3.8
69.03431	41.1
69.07045	3.5
70.01851	7.2
70.02216	3.5
70.06593	2.8
71.01360	3.3
71.04993	2.2
73.02924	71.1
79.05491	3.7
81.03415	8.7
81.07045	6.3
83.05005	3.8
83.08586	2.8
84.08141	2.8
85.02911	100.0
87.04485	5.3
91.03934	4.6
91.05476	6.6
93.07037	5.7
95.04970	4.1
95.08592	7.1
97.02901	57.1
97.06562	2.1
98.42358	2.1
99.04460	6.8
101.01015	1.9
101.02379	2.4
103.05472	13.1
105.07030	8.0
107.04952	2.7
107.08622	5.2
109.02896	9.5
109.06503	2.8
109.10140	2.8
115.03931	22.5
117.07043	2.7
119.08560	5.2
120.08121	2.0
120.08950	3.2
121.06514	2.4
121.10124	5.8
125.06040	2.6
125.26025	1.8
127.03922	30.3
129.07051	2.7
131.04935	31.1
131.08546	4.0
133.04979	30.7
133.10085	2.6
135.11720	2.1
137.09514	2.5
143.08621	2.1
145.04971	50.4
149.09612	2.1
151.07513	3.3
161.09581	3.1
163.06055	15.2
165.09099	5.2
166.09430	2.0
173.13283	2.2
193.05118	2.4
223.05956	5.3
241.07068	5.0
259.07986	4.3
442.25339	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	442.2654
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90007	1.5
55.01884	7.5
57.03447	14.6
59.05013	2.6
61.02937	14.7
64.29076	1.9
69.03074	3.2
69.03439	32.5
69.07068	2.6
69.15115	1.6
69.42420	12.2
71.01366	3.4
71.08620	3.0
73.02927	62.2
73.03319	4.1
76.86239	1.6
81.03428	5.8
85.02917	100.0
87.04458	2.8
91.03967	4.6
95.58090	1.7
97.02906	54.5
99.04443	3.3
103.03932	3.5
103.05457	2.0
104.56210	2.3
109.02897	8.1
115.03948	22.0
127.03931	30.8
131.04950	4.7
133.04997	29.7
145.04980	48.9
150.07593	2.0
158.80847	1.8
163.06062	19.5
199.06006	2.4
223.06044	4.2
241.07074	6.4
259.08145	5.9
275.09512	1.7
288.33459	1.8
293.19608	3.0
301.58472	2.1
442.24768	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	442.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.7
55.01863	2.9
55.05497	3.6
57.03435	4.4
61.02930	8.4
67.05497	1.2
69.03434	18.5
69.07080	1.7
70.06586	1.9
71.05003	4.8
71.51531	1.1
72.08146	1.0
73.02934	5.1
79.05513	1.5
81.03417	8.3
81.07043	1.6
83.05006	1.3
83.08600	4.2
85.02911	100.0
87.04438	2.5
91.03970	5.8
93.07053	1.5
95.08576	1.2
95.66719	0.9
97.02303	1.5
97.02900	25.5
99.04449	3.2
101.09674	1.1
105.07066	1.1
109.02885	9.2
115.03915	2.0
116.07164	0.9
127.03931	26.8
135.08115	0.9
139.07506	2.8
141.09045	1.6
145.04970	50.9
151.07588	1.0
163.06030	20.5
209.11682	1.8
227.12770	1.1
233.52029	0.9
245.13867	1.3
262.14529	0.9
263.14813	1.2
280.19122	1.8
443.18756	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.0
57.03442	22.8
59.04999	3.0
60.04535	3.1
61.02922	8.0
63.74897	2.7
65.92068	2.3
69.03435	59.6
70.73364	8.1
73.02918	17.6
81.03419	11.9
85.02915	100.0
87.04476	33.4
91.03953	4.1
97.02908	60.7
99.04428	4.7
103.05463	22.8
105.06995	3.0
105.71239	2.4
109.02886	9.0
115.03940	65.7
115.04757	3.8
127.03932	24.4
131.04942	56.9
133.04990	68.3
134.52499	2.4
142.07739	2.7
145.04980	43.3
150.07649	9.2
163.06062	14.7
163.07288	2.4
259.08118	4.4
368.29880	2.6
426.63120	2.8
442.25320	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	441.3732
Annotation	Soyasapogenol C
Peak:m/z	Relative Intensity
51.73406	0.8
53.03943	1.8
55.01878	2.2
55.05272	1.0
55.05514	15.0
57.03431	0.8
57.07074	7.2
59.04994	2.3
61.98174	0.7
65.03955	1.3
67.05508	17.5
67.05875	0.9
69.03413	2.1
69.07072	21.2
69.37768	4.2
69.38175	1.4
71.04993	2.3
71.08640	1.1
74.75892	0.8
75.99113	0.8
79.05495	15.9
81.06586	1.6
81.07063	31.8
83.04984	2.4
83.08626	10.2
85.06562	1.1
88.45636	0.8
90.48308	0.7
91.05486	16.7
93.07051	50.7
95.04946	2.0
95.08612	53.0
97.06523	4.6
97.10178	5.1
98.21482	1.1
99.08075	0.9
101.06014	1.3
105.07040	40.3
107.04182	0.9
107.08603	69.9
108.08955	1.0
109.06532	2.5
109.10163	29.6
111.08106	5.1
111.11702	1.2
113.09657	1.3
117.07021	5.0
119.08587	38.2
121.06548	1.0
121.10152	59.3
123.08099	2.6
123.11713	20.2
125.09648	3.0
129.07008	2.4
131.08575	10.5
132.43089	0.9
133.10139	33.5
135.08086	2.0
135.11697	37.8
137.09668	1.6
137.13266	11.7
139.11191	3.3
142.07793	1.1
143.08595	8.6
144.09335	2.2
145.10130	21.4
146.10867	0.9
147.11703	36.8
149.09665	1.6
149.13268	71.2
150.13644	1.1
151.11235	1.4
151.14850	1.1
153.12735	1.6
155.08612	1.1
156.09338	0.9
157.10114	7.0
158.10941	1.9
159.11700	24.0
160.12480	2.4
161.13264	22.2
163.11195	2.6
163.14848	5.6
165.12766	2.3
167.10677	1.0
167.14355	3.3
167.27528	0.7
169.10120	1.9
171.11748	6.2
172.12495	1.1
173.13275	10.2
174.14026	1.1
175.11241	1.2
175.14848	7.5
177.12769	1.2
177.16396	11.2
183.11740	2.0
185.13284	8.4
187.14853	15.8
189.16388	6.4
191.17970	7.5
195.17438	4.1
197.13318	1.0
199.14847	6.1
200.15343	0.7
201.16388	27.0
203.17972	88.6
204.18283	2.0
205.15881	3.4
205.19499	1.8
209.13297	1.0
211.14824	1.3
213.16388	9.9
215.17976	13.2
216.18449	0.8
217.19591	3.4
223.16953	10.5
225.16460	2.8
227.17964	7.8
228.18570	1.1
229.19548	4.9
233.19016	18.8
234.19443	0.9
239.17921	1.3
240.18823	0.8
241.19456	5.1
243.21494	0.9
245.19067	1.0
251.17645	1.5
251.20097	19.6
253.19617	2.4
255.21140	2.7
267.21136	2.1
269.22800	1.5
272.34131	0.8
274.46442	0.8
279.23288	1.5
281.22723	1.2
283.24216	17.3
285.22299	0.9
301.25089	0.8
321.25500	0.9
345.27780	0.8
405.35403	3.8
423.36279	100.0
424.36664	4.7
441.37558	20.4
442.37570	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3731
Annotation	Soyasapogenol C
Peak:m/z	Relative Intensity
52.70237	2.3
53.03952	2.5
55.05502	10.3
57.07072	5.6
59.64435	2.3
61.63681	2.3
67.05518	16.9
69.06728	4.2
69.07069	38.2
69.60994	6.1
69.61411	11.4
71.08644	2.6
79.05506	10.2
81.07056	39.4
83.08622	9.4
91.05470	11.0
92.87196	2.2
93.07040	29.2
95.08612	68.5
96.33070	2.3
97.06556	6.7
97.10114	3.6
99.43404	2.5
105.07050	28.2
105.07722	4.3
107.08598	59.2
109.06583	3.9
109.10159	33.8
111.08059	7.0
111.11729	10.9
113.09699	2.4
117.07016	3.6
119.08593	64.2
121.10165	38.0
123.08086	6.5
123.11721	19.4
131.08566	9.0
133.10143	36.0
135.11697	36.9
137.09636	5.1
137.13280	13.6
143.08606	5.1
145.10141	18.4
147.11702	30.0
149.13255	14.3
151.11156	3.2
151.14792	3.6
157.10139	5.5
159.11693	16.5
161.13280	19.3
163.14838	16.1
165.12645	2.4
171.11743	5.3
173.13223	14.7
175.14836	13.0
177.12785	2.9
177.16370	13.2
179.14336	8.0
185.13289	8.4
187.14795	14.7
189.16382	51.5
191.14240	3.5
191.17966	11.1
199.14801	4.2
201.16394	29.9
203.17953	35.0
205.19435	3.2
207.17410	3.7
213.16461	3.1
215.17961	9.7
217.19511	11.2
219.17519	3.1
229.19568	10.0
233.18994	4.1
243.21100	18.9
245.22704	4.8
247.20605	24.3
255.21167	6.7
261.22113	16.2
269.22632	4.0
275.23578	4.9
287.23618	5.7
405.35303	16.7
423.36276	100.0
441.37473	74.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3731
Annotation	Soyasapogenol C
Peak:m/z	Relative Intensity
52.82402	3.7
55.05506	13.0
57.07060	5.9
67.05508	28.5
69.07075	33.3
71.44289	4.3
71.44629	4.6
79.05488	10.3
79.05929	2.8
81.07062	49.8
83.08608	11.2
90.00234	3.6
91.05487	8.9
93.07056	31.2
95.08613	100.0
97.10181	6.6
105.07020	25.3
107.08602	46.7
109.10165	74.0
111.08096	4.9
111.11715	11.2
119.08595	39.7
121.10152	47.9
123.08106	4.0
123.11691	31.2
131.08592	10.1
133.10129	24.2
135.07979	5.0
135.11700	26.8
137.13239	22.1
143.08565	4.5
145.10170	16.6
147.11729	19.6
149.13286	23.2
155.08536	3.6
157.10207	7.5
159.11673	18.8
161.09587	5.0
161.13260	13.6
163.11154	3.8
163.14856	20.2
165.12764	3.4
167.75720	3.0
171.11746	11.4
173.13286	15.8
175.14864	17.5
177.12756	5.9
177.16376	9.1
179.80876	3.3
183.17502	3.0
185.13281	5.8
187.14827	11.1
189.16397	16.8
191.17868	18.8
193.15900	5.9
193.19649	4.0
199.14870	10.4
201.16399	8.4
203.17972	9.5
205.16129	4.8
205.19487	23.4
211.14726	4.1
213.16431	10.2
217.15935	4.3
217.19490	10.0
219.17393	3.2
227.18036	3.9
229.19730	5.2
231.17485	7.8
231.21164	9.1
235.16974	14.5
243.21165	4.6
245.18942	3.3
245.22723	5.1
249.18234	3.9
252.41368	4.0
259.20667	3.6
323.27588	4.2
340.57092	3.4
405.35202	47.0
423.36316	26.1
441.31628	6.3
441.37415	77.3
442.37424	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	441.3737
Annotation	21alpha-Hydroxyonocera-8(26),14-dien-3-one
Peak:m/z	Relative Intensity
53.03949	1.8
55.05518	8.7
57.07068	2.6
66.09927	1.4
67.05508	12.8
69.03439	1.3
69.07074	15.7
70.82322	3.8
71.37582	1.3
79.05504	11.8
81.07073	27.8
83.08637	6.9
91.05477	9.9
93.07057	28.2
95.08623	50.6
97.06524	1.9
97.10176	5.6
98.57186	1.4
105.07055	12.9
107.08603	29.8
109.10170	39.7
111.08094	2.9
111.11725	5.0
119.08607	14.9
121.06507	1.5
121.10161	41.7
123.08091	4.7
123.11731	24.0
125.09581	1.7
131.08597	4.7
133.10162	11.7
135.08105	4.7
135.11702	12.8
137.09631	8.4
137.13287	6.3
139.11183	3.0
140.29106	1.3
142.41762	1.6
142.74008	1.7
145.10156	4.7
147.11673	5.3
149.09647	49.8
149.13284	17.9
151.11198	5.8
156.31561	1.3
157.10173	2.0
159.11688	5.8
161.09677	2.9
161.13272	5.1
163.11211	3.6
163.14857	10.4
167.10733	4.9
171.11725	1.4
173.13243	2.4
175.14859	3.8
177.12781	4.0
177.16443	4.2
179.10507	1.8
187.14879	4.3
189.16428	8.5
189.66969	1.4
191.17987	2.9
201.16345	2.2
203.14349	2.2
205.15883	10.8
205.19525	8.8
207.17496	3.1
215.18066	4.9
217.15985	1.7
217.19664	4.7
219.17686	6.7
219.21135	10.9
235.16881	2.1
238.99194	1.4
249.18602	1.9
269.99210	1.4
287.23694	3.2
325.28778	1.5
331.26520	3.5
345.27817	9.1
357.27658	1.7
405.35663	2.2
423.36295	22.0
441.37341	100.0
442.37750	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	441.3733
Annotation	12Z,15Z,18Z,21Z,24Z,27Z-triacontahexaenoic acid
Peak:m/z	Relative Intensity
53.03940	3.1
55.05519	21.4
57.07084	13.1
67.05511	24.2
69.07074	36.3
71.04995	2.6
71.08620	3.7
71.25648	5.9
72.04517	11.0
79.05491	12.5
81.07061	57.6
83.05011	3.0
83.08627	16.2
85.06544	4.0
86.47511	2.4
87.04482	4.2
88.31188	2.5
91.05489	7.7
93.07052	25.7
95.08615	84.9
95.37457	3.0
97.06510	3.7
97.10181	5.8
99.04472	3.5
101.06013	5.9
105.07040	22.0
107.08599	43.2
109.06554	3.7
109.10165	61.2
111.11719	12.9
119.08619	27.2
121.10155	43.1
123.08038	3.4
123.11725	29.9
131.08624	3.1
133.10146	39.3
135.11693	24.9
137.13275	27.9
145.10130	4.0
147.11736	16.3
149.09724	2.5
149.13329	15.0
151.14853	4.8
153.09134	5.2
159.11714	6.1
161.13274	16.0
163.14838	9.7
167.10745	4.0
168.27908	2.7
173.13307	4.8
175.14795	14.6
177.16405	7.8
187.14781	6.3
189.16376	11.3
191.17979	8.1
195.13834	7.2
201.16345	4.7
203.17867	6.4
205.19487	13.0
215.18011	3.1
217.19577	10.9
223.16837	5.3
229.19434	6.8
231.21075	12.7
242.90698	2.6
243.21114	4.9
245.22722	19.5
249.18481	5.0
257.22641	13.9
259.24139	4.4
263.59686	2.9
271.24203	10.7
273.25900	3.7
285.25650	5.6
303.23053	6.8
331.26611	3.7
343.63181	3.0
371.29153	3.2
423.36221	3.5
423.43915	9.4
441.31503	5.2
441.37244	100.0
441.44775	20.1
442.37268	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3727
Annotation	3beta-Hydroxyonocera-8(26),14-dien-21-one
Peak:m/z	Relative Intensity
53.03946	0.5
54.16219	0.3
54.49220	0.3
55.05511	2.2
57.03440	0.3
57.07066	1.2
57.79333	0.3
59.04985	0.4
67.05507	3.6
69.03429	1.3
69.07069	5.3
70.63834	0.4
70.64173	0.6
71.05003	0.4
71.08635	0.4
74.49738	0.3
79.05494	2.0
79.15648	0.3
81.07063	10.5
83.04980	4.3
83.08630	1.9
83.34557	0.3
85.06551	0.8
91.05482	1.9
93.07050	6.5
95.04964	1.3
95.08611	18.7
97.06522	0.9
97.10176	1.3
99.08124	0.3
105.07047	4.2
107.08601	11.7
109.06506	1.7
109.10161	9.5
111.08096	1.2
111.11736	1.5
111.62644	0.3
117.07047	0.4
119.08589	7.4
121.06544	1.4
121.10157	11.0
123.08076	2.2
123.11721	5.8
125.09649	0.8
126.62336	0.3
131.08571	1.6
133.06595	0.3
133.10135	5.2
135.08060	3.7
135.11702	9.8
137.09612	1.4
137.13274	3.8
139.11226	0.8
143.08604	0.4
145.10146	2.5
147.11697	3.5
149.09633	14.3
149.13272	3.6
150.06532	0.3
151.11226	0.9
151.14777	0.6
153.12704	0.4
157.10149	0.8
159.11716	2.7
161.09657	1.1
161.13249	3.0
163.11221	1.9
163.14835	2.2
171.11691	0.8
173.13242	2.7
175.11195	0.8
175.14824	3.1
177.12764	1.0
177.16415	3.7
179.14302	0.6
185.13281	0.7
187.14832	1.7
189.12753	0.8
189.16402	4.5
191.17952	4.8
193.15923	0.4
199.14865	0.8
201.16508	0.5
203.14328	0.4
203.17981	1.2
205.15843	0.7
205.19496	2.2
207.17493	0.5
213.16428	1.0
215.17903	3.2
217.15871	0.8
219.17450	0.4
221.15385	0.6
227.17993	0.5
229.19449	0.6
231.17476	1.4
233.19009	5.1
235.16887	1.9
243.21162	0.8
245.19049	0.6
247.20747	0.4
257.22687	0.5
259.20569	0.8
259.24231	0.5
261.22235	1.4
269.22696	1.2
273.22043	0.4
285.22214	0.5
287.23715	8.6
288.24097	0.4
299.23926	0.5
301.25150	0.5
397.08856	0.3
405.35352	0.6
417.08908	0.3
423.36417	2.2
441.37311	100.0
442.37637	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3731
Annotation	3beta-Hydroxyonocera-8(26),14-dien-21-one
Peak:m/z	Relative Intensity
50.74311	2.3
55.05507	10.3
57.07085	5.0
67.05508	12.7
69.03444	3.9
69.07071	23.1
71.04990	10.2
71.51719	3.9
74.79803	2.9
77.27599	2.6
79.05498	7.5
80.52762	2.9
81.07060	35.4
83.08631	8.1
85.06556	6.5
87.04469	5.6
89.05990	3.4
91.05494	10.4
93.07048	21.8
95.08609	49.5
95.09174	3.6
97.06554	3.1
97.10168	8.1
105.07024	14.5
107.08604	33.1
109.06536	5.9
109.10156	43.2
111.08125	4.5
111.11739	6.8
116.40286	3.2
119.08591	16.3
121.10144	30.1
121.10796	2.6
123.08092	7.5
123.11686	19.6
125.09714	3.1
131.08607	5.1
133.10159	17.9
135.08125	3.3
135.11671	25.6
137.13295	10.5
143.08665	2.9
145.10118	15.8
147.11722	15.3
149.13235	14.4
151.07562	6.0
158.27614	2.6
159.11752	11.2
161.13301	5.5
163.14880	7.7
172.90967	2.7
173.13275	4.7
175.14912	8.0
177.16411	4.6
183.32645	2.8
187.14842	6.8
189.16353	19.3
191.18033	7.9
201.16353	16.5
203.18054	8.8
205.15939	3.5
205.19675	5.1
207.17432	23.4
208.34789	2.7
215.18149	5.0
219.17450	28.1
227.17920	2.8
245.22696	5.6
336.87790	2.8
355.43292	3.3
405.34967	3.9
423.36673	13.2
441.37411	100.0
442.37592	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	441.3369
Annotation	Larreagenin A
Peak:m/z	Relative Intensity
55.05510	5.9
57.07057	2.6
67.05512	12.8
69.07074	11.0
71.51869	3.8
77.45443	2.0
78.71548	2.2
79.05498	6.4
81.07074	26.0
83.08622	3.7
91.05476	8.8
93.06544	3.2
93.07057	26.6
95.04957	2.0
95.08617	43.4
97.06577	4.0
97.10195	2.4
105.07034	17.8
107.08609	37.0
109.06520	4.3
109.10173	23.7
117.07011	3.2
119.08594	25.5
120.73968	2.1
121.10157	33.2
123.08086	4.0
123.11730	13.3
131.08553	10.5
133.06511	2.8
133.10161	19.3
135.08165	2.4
135.11699	32.2
137.05948	2.6
137.13286	4.8
139.07555	9.9
145.06500	2.2
145.10126	10.3
147.11729	10.8
149.09610	9.7
149.13260	13.5
151.07541	9.3
151.11160	2.6
151.14709	2.4
157.10112	5.3
159.11699	15.4
161.09665	2.1
161.13254	9.6
163.14850	6.4
165.09116	17.1
171.11757	3.2
173.13281	7.5
175.11145	4.4
175.14851	7.5
177.12752	6.2
177.16403	2.8
183.11696	4.1
185.13255	2.8
187.14824	5.8
189.16408	7.8
191.14311	3.7
191.17961	31.8
193.12254	5.5
201.12718	3.8
201.16409	4.2
203.17973	3.1
215.14363	2.7
217.19539	5.6
219.13841	4.4
229.19524	2.4
231.21156	2.5
233.15421	3.8
271.24304	12.2
301.21710	2.6
405.31485	6.3
423.32648	29.0
441.33609	100.0
442.33899	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	441.3219
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08990	2.9
55.05511	14.4
57.03429	4.0
57.07081	6.9
67.05517	15.1
69.07077	16.1
69.94814	2.9
71.04985	5.0
71.08629	6.4
71.51579	3.4
79.05502	6.5
81.07073	29.0
83.08624	10.0
85.06566	3.8
91.05481	9.6
93.07057	12.0
95.08620	33.8
97.10183	4.2
99.08095	11.6
105.07035	11.1
107.08614	20.6
109.06529	10.5
109.10160	17.5
111.08147	3.8
119.08605	16.6
121.10140	15.4
123.08098	32.8
123.11719	7.3
125.00015	7.4
131.08664	5.0
133.10178	17.0
135.08067	11.4
135.11725	6.7
137.09579	3.2
145.10136	7.2
147.11745	4.2
149.09679	4.0
149.13290	5.1
153.12769	4.9
159.11684	10.5
161.09599	3.6
161.13266	3.7
163.01486	4.1
163.14798	3.7
173.13281	3.7
179.14342	45.1
231.96590	2.7
251.20120	10.3
275.20154	3.6
293.21100	9.2
293.28421	3.7
298.65634	3.1
303.26816	14.6
321.27924	4.1
331.26413	49.9
349.27429	58.0
376.59409	2.9
405.30026	4.4
423.25314	4.9
423.31116	100.0
424.31216	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	441.3368
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	15.8
55.37096	1.9
57.07050	6.0
65.60524	1.8
67.05507	15.2
69.07071	20.0
70.16259	3.2
70.16657	3.6
79.05491	13.3
81.07064	34.0
83.08596	6.7
85.06512	2.0
87.04466	14.9
91.05496	17.3
93.07050	36.1
95.08617	61.0
97.06502	5.3
97.10136	3.2
105.07031	33.1
107.08611	54.7
107.81463	1.7
109.06525	2.3
109.10172	35.1
111.08084	5.0
111.11706	2.1
117.06973	4.1
119.08586	36.9
121.06492	2.5
121.10155	51.2
123.08018	3.6
123.11706	20.4
124.82682	1.8
126.71445	2.2
129.06940	3.5
131.08604	10.5
133.10146	35.2
135.08032	2.0
135.10854	2.3
135.11696	25.6
137.09595	3.8
137.13208	8.5
138.16544	2.0
143.08595	10.4
145.10123	17.7
147.08020	2.7
147.11710	29.8
149.09583	2.3
149.12236	2.2
149.13278	35.1
151.07513	2.4
157.10143	15.3
159.08044	3.0
159.11757	14.4
161.09583	2.4
161.13254	18.4
163.14775	6.3
165.09116	3.0
165.12651	2.4
169.10083	3.5
171.11606	8.8
173.13307	10.1
175.11162	3.5
175.14772	8.0
177.16342	8.9
179.14279	2.2
183.11613	3.3
185.13194	4.6
187.11186	1.9
187.14871	14.9
189.15092	2.1
189.16414	25.2
191.14189	3.2
191.17865	7.7
197.13214	4.3
199.14862	19.7
201.16348	14.5
203.18001	28.7
205.15804	3.4
207.17467	4.3
211.14682	2.8
213.16327	6.0
215.17917	8.9
217.15897	84.7
218.16109	3.0
219.17293	3.9
221.15416	2.7
223.16838	3.3
225.16273	3.0
227.17891	7.5
229.19385	3.1
231.17476	9.4
233.15297	6.7
233.18953	9.0
235.16840	4.1
236.15402	2.3
241.19461	3.3
243.20892	2.6
251.20105	11.2
255.20976	2.6
259.20721	2.4
283.24023	7.1
341.18176	2.0
405.31281	14.8
405.35544	1.9
423.31058	3.7
423.36786	48.2
441.33368	100.0
442.34167	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	441.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	11.5
55.01880	4.5
55.05515	15.5
57.03431	5.4
61.02930	5.1
67.05508	12.5
68.99790	6.2
69.03441	45.6
69.07072	13.8
69.30218	24.1
69.30621	11.4
70.06615	5.6
71.04986	8.2
72.08154	5.7
74.25848	4.4
79.05501	12.4
81.03429	54.1
81.07065	12.7
83.04987	12.1
83.08619	4.4
83.59454	3.9
84.08110	4.4
85.02916	42.3
87.00841	15.1
88.07700	4.0
91.05503	10.1
93.07050	14.3
95.04992	11.4
95.08607	21.0
97.02850	8.3
97.10158	4.0
98.20794	9.2
99.04472	20.9
105.01854	5.5
105.07031	17.3
107.04971	6.2
107.08619	14.6
109.02906	42.2
109.06527	7.1
109.10172	14.3
117.07012	6.3
119.08623	28.8
120.08136	4.3
121.03748	3.9
121.06524	10.6
121.10156	18.2
123.08093	6.0
123.11725	7.5
125.05953	6.3
127.03934	100.0
127.04833	7.4
131.04964	5.6
131.08577	8.9
133.10141	22.8
135.08025	5.0
135.11705	4.3
137.05992	5.4
137.09668	9.0
139.11246	6.5
145.10146	10.0
147.11700	11.4
149.09563	6.6
151.07532	5.3
155.03183	3.9
157.10120	5.4
159.11736	10.7
161.13190	4.8
167.07112	7.0
175.11166	7.2
175.14873	23.6
185.13251	4.3
187.14909	5.2
231.05017	23.1
242.81459	3.6
279.15778	11.1
283.17023	6.0
309.03500	7.6
315.92709	4.3
319.19089	4.1
361.89597	3.9
416.81641	4.8
441.08258	25.3
441.16595	14.2
441.21494	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	441.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	12.0
55.05512	9.0
57.03419	6.4
60.69807	4.1
67.05501	12.4
67.78831	3.8
68.99802	5.8
69.03439	44.8
69.07072	9.1
70.06592	13.0
70.72585	6.9
70.72919	7.2
71.04988	17.0
72.08163	5.4
73.02898	5.0
78.75652	5.0
79.05492	15.8
81.03426	48.8
81.07048	17.9
82.68575	4.0
83.04445	3.8
83.04974	9.8
83.08618	7.1
84.08128	4.5
85.02907	44.0
85.06552	7.2
86.09711	14.2
87.00832	15.9
91.05481	12.2
93.07047	20.4
95.04954	6.3
95.08625	24.2
97.02904	9.7
97.06528	5.7
98.20725	4.2
99.04464	17.6
103.05498	4.5
105.07028	23.3
106.09354	4.5
107.08584	16.1
109.02914	35.1
109.06505	7.1
109.10164	20.3
111.04437	6.1
111.08103	6.1
117.07017	6.2
119.08578	28.0
120.08083	10.7
121.06487	5.8
121.10172	22.3
123.04474	4.2
123.08067	5.6
123.11670	4.6
127.03929	100.0
131.08624	9.1
133.10138	20.3
133.64555	4.1
135.11711	9.7
137.09601	10.8
139.03862	4.7
139.07596	4.2
140.03441	22.1
140.73180	4.4
141.03755	9.2
142.03925	9.9
145.04926	4.7
145.06517	4.4
145.10103	8.4
147.08070	5.6
147.11667	10.5
149.13362	5.2
150.66656	4.6
153.01741	5.1
159.11699	5.0
161.82056	4.6
163.07707	4.5
163.46460	3.9
173.13316	6.9
175.14873	28.7
185.09494	4.1
193.15770	5.2
197.09541	4.3
207.21689	4.3
213.03932	4.6
231.05028	24.2
295.08102	7.0
299.75497	4.0
325.12781	4.2
428.48770	4.9
441.16254	6.6
441.21539	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	441.212
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	7.7
55.01862	8.0
55.05515	31.2
57.03422	9.4
59.04997	6.1
61.02916	5.3
65.03932	5.3
67.05508	58.4
68.99790	12.1
69.03426	46.5
69.07063	28.5
70.17847	9.1
70.18232	9.5
71.04979	10.4
79.05507	31.7
81.03419	31.1
81.07069	48.4
82.01343	4.8
83.04987	93.0
83.08596	4.4
85.02912	46.3
85.06533	4.8
87.00829	19.6
91.05468	28.8
93.07049	49.2
95.01333	9.8
95.04373	7.0
95.04982	100.0
95.08612	48.7
97.02892	15.6
97.06534	12.2
99.04467	10.2
103.03927	7.8
104.92728	4.0
105.01850	5.6
105.07034	37.6
107.04973	8.4
107.08603	46.4
109.02869	15.4
109.06543	31.8
109.10155	79.2
111.04444	16.7
111.08043	10.4
113.06000	4.6
117.07014	8.8
119.08601	37.5
121.06514	14.6
121.10154	29.5
123.08057	18.5
123.11700	8.1
124.07586	13.1
125.05973	12.8
127.03909	15.4
129.01814	4.4
131.08586	22.5
133.10135	39.6
135.08055	46.8
135.11693	35.8
137.06010	10.6
137.09621	69.5
138.09071	4.6
141.05464	7.9
142.07758	5.2
143.08572	7.9
145.04924	4.5
145.10097	14.4
147.08083	9.3
147.11688	10.7
149.05969	12.9
149.09669	9.7
149.13249	7.4
151.07565	4.9
151.11249	6.4
151.14888	4.5
154.08641	4.2
157.10092	9.7
159.08043	6.2
159.11713	7.4
161.09604	11.7
163.11171	4.8
164.07016	5.5
165.09087	5.1
167.07033	10.6
171.02782	4.3
171.11685	6.6
173.13290	10.0
175.07541	5.3
175.14871	21.1
177.09091	5.7
179.10645	42.3
185.13310	6.0
189.03972	7.8
191.10698	5.2
191.14337	8.5
193.15892	53.3
199.14758	4.6
201.09169	7.2
203.14345	4.5
213.12790	5.5
213.23187	4.2
215.14273	6.5
217.15941	10.7
223.16823	5.1
235.16887	9.0
245.11690	8.4
259.16885	4.5
283.16943	5.8
301.17947	16.4
319.19022	10.9
385.14932	5.5
441.15506	6.2
441.21100	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	441.1739
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62821	0.6
53.03952	0.8
55.05508	1.4
67.05496	0.8
68.40923	0.7
69.03415	2.3
69.07088	1.3
71.04999	1.1
71.51706	0.7
77.13586	0.6
79.05492	1.6
81.03412	1.1
81.07063	3.3
83.04967	0.7
85.02924	3.0
85.23789	0.6
87.00811	0.7
88.23900	0.7
91.05498	1.4
93.07040	4.0
95.05000	0.9
95.08609	2.1
97.02886	1.4
97.10190	0.8
105.01847	0.9
105.07034	2.3
107.08611	3.2
109.02914	0.8
109.06551	0.8
109.10170	3.7
111.08087	0.7
115.03935	0.7
119.08611	4.7
121.10158	3.7
123.11671	1.0
125.06019	0.8
125.09541	0.6
127.03954	1.8
131.04921	1.5
131.08583	1.3
133.10158	4.8
135.11732	2.9
137.05905	0.6
137.09619	1.0
145.04903	0.8
145.10208	1.1
147.11731	1.2
157.10211	0.7
159.11728	0.9
165.09212	1.8
171.11771	1.1
173.13214	0.7
175.10915	0.9
175.14842	7.0
177.16385	3.0
185.04286	1.4
193.11984	3.2
193.15932	1.2
203.05313	1.5
205.15878	1.8
211.17122	1.0
221.11647	0.7
221.15128	0.7
225.79059	0.7
245.06425	3.6
279.15683	0.7
289.05383	3.4
337.16162	0.8
355.17288	10.1
397.18375	34.8
441.17377	100.0
442.17746	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.212
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	7.7
55.01862	8.0
55.05515	31.2
57.03422	9.4
59.04997	6.1
61.02916	5.3
65.03932	5.3
67.05508	58.4
68.99790	12.1
69.03426	46.5
69.07063	28.5
70.17847	9.1
70.18232	9.5
71.04979	10.4
79.05507	31.7
81.03419	31.1
81.07069	48.4
82.01343	4.8
83.04987	93.0
83.08596	4.4
85.02912	46.3
85.06533	4.8
87.00829	19.6
91.05468	28.8
93.07049	49.2
95.01333	9.8
95.04373	7.0
95.04982	100.0
95.08612	48.7
97.02892	15.6
97.06534	12.2
99.04467	10.2
103.03927	7.8
104.92728	4.0
105.01850	5.6
105.07034	37.6
107.04973	8.4
107.08603	46.4
109.02869	15.4
109.06543	31.8
109.10155	79.2
111.04444	16.7
111.08043	10.4
113.06000	4.6
117.07014	8.8
119.08601	37.5
121.06514	14.6
121.10154	29.5
123.08057	18.5
123.11700	8.1
124.07586	13.1
125.05973	12.8
127.03909	15.4
129.01814	4.4
131.08586	22.5
133.10135	39.6
135.08055	46.8
135.11693	35.8
137.06010	10.6
137.09621	69.5
138.09071	4.6
141.05464	7.9
142.07758	5.2
143.08572	7.9
145.04924	4.5
145.10097	14.4
147.08083	9.3
147.11688	10.7
149.05969	12.9
149.09669	9.7
149.13249	7.4
151.07565	4.9
151.11249	6.4
151.14888	4.5
154.08641	4.2
157.10092	9.7
159.08043	6.2
159.11713	7.4
161.09604	11.7
163.11171	4.8
164.07016	5.5
165.09087	5.1
167.07033	10.6
171.02782	4.3
171.11685	6.6
173.13290	10.0
175.07541	5.3
175.14871	21.1
177.09091	5.7
179.10645	42.3
185.13310	6.0
189.03972	7.8
191.10698	5.2
191.14337	8.5
193.15892	53.3
199.14758	4.6
201.09169	7.2
203.14345	4.5
213.12790	5.5
213.23187	4.2
215.14273	6.5
217.15941	10.7
223.16823	5.1
235.16887	9.0
245.11690	8.4
259.16885	4.5
283.16943	5.8
301.17947	16.4
319.19022	10.9
385.14932	5.5
441.15506	6.2
441.21100	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	441.0928
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05921	0.7
56.96309	1.2
56.96569	15.2
57.03436	1.2
61.02910	1.1
69.03417	2.7
69.97905	3.6
71.01346	2.8
75.93773	0.8
77.33430	0.8
78.99314	0.8
84.96030	4.2
85.02903	6.7
87.04452	1.6
97.02895	2.8
98.21562	0.9
98.97593	100.0
99.04454	0.9
99.97881	1.0
101.00892	1.9
101.26321	0.8
110.96841	1.3
110.97579	19.0
112.99126	3.7
113.00862	1.0
113.02377	1.4
116.07167	0.8
116.97823	1.5
116.98634	20.1
119.01905	2.1
124.99134	7.9
127.00691	2.7
127.03909	0.8
128.98604	9.3
129.02209	1.3
129.03128	1.3
131.00197	4.0
131.01889	1.5
134.99648	2.6
140.98608	4.9
143.00180	12.5
143.01906	1.0
145.01707	1.6
145.03419	0.9
145.04942	0.9
146.99661	2.4
149.01251	2.2
149.04895	0.9
152.98613	2.6
153.35416	0.8
155.00165	3.5
157.03516	1.9
158.99672	19.1
161.01227	15.2
163.02686	1.0
169.03418	1.1
170.99654	12.6
173.01282	5.2
174.99213	1.1
175.04591	1.3
177.00754	9.2
179.02280	21.1
182.99655	8.9
189.00735	8.0
191.02223	3.1
197.03354	5.5
197.04839	1.0
201.00731	22.8
203.02310	1.0
207.01677	1.1
213.00671	1.9
218.01735	0.8
219.01813	16.7
221.03337	16.1
223.06612	2.9
231.01750	2.5
233.03297	1.2
237.02821	6.5
239.04405	37.5
243.01773	9.1
257.05484	2.6
259.00812	1.6
261.02835	34.7
262.05478	0.9
265.07739	1.4
270.05124	1.8
273.02802	3.7
277.02023	2.5
279.03894	17.3
280.08945	0.9
281.05457	27.3
291.03952	6.3
307.09048	0.9
309.08569	1.1
311.06464	12.3
321.04907	13.9
323.06451	1.2
323.10190	2.5
326.11362	0.9
333.05057	1.4
337.08078	3.8
351.05975	2.4
355.09195	2.5
381.06732	1.3
397.10233	2.5
399.08707	0.9
403.11258	9.3
405.11688	1.4
441.09171	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	440.2776
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	1.5
57.03442	5.1
57.06842	1.6
57.07085	19.7
58.25370	1.1
62.06095	21.4
67.05517	4.7
69.07068	5.0
70.11251	1.2
71.08633	14.3
71.51876	2.2
72.08157	6.6
81.07073	7.5
83.08618	3.0
85.10194	7.6
95.08622	11.5
97.10164	1.2
98.98486	5.1
99.08640	1.3
107.08610	1.5
109.10175	5.2
124.01629	1.7
140.81551	1.2
153.81392	1.4
155.01050	5.9
155.87355	1.2
191.02621	1.2
216.06371	2.2
217.09888	1.4
225.22195	2.3
235.74712	1.7
261.13275	1.3
268.26419	11.2
299.25839	100.0
300.26212	2.7
379.22556	6.2
422.26685	2.3
440.36346	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.2495
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.7
55.01868	9.7
55.05498	14.9
56.23400	4.0
57.03431	22.7
61.02919	16.9
61.59142	3.3
66.61945	3.6
67.05505	8.2
69.03432	56.9
69.07072	88.7
69.91859	8.8
69.92265	13.2
70.06590	5.7
71.01360	9.7
71.04977	5.7
73.02926	95.1
79.05485	8.1
81.03416	15.3
81.07058	17.3
83.00661	3.4
83.04968	4.9
83.44510	3.5
84.08099	5.6
85.02448	7.9
85.02912	100.0
85.06540	11.3
86.09688	11.1
87.04479	7.3
91.05470	16.6
93.07019	11.0
95.04983	8.2
95.08607	18.7
97.02897	66.9
97.10146	7.9
99.04444	6.7
103.03912	4.7
103.05440	8.3
105.03371	6.0
105.07019	9.7
107.08576	14.7
108.08978	4.9
109.02865	12.0
109.10163	8.8
111.04431	5.0
111.08105	9.1
111.11708	25.5
112.83389	3.9
115.03954	33.4
118.07383	3.4
119.08588	9.1
121.06541	5.7
121.10165	11.7
123.08031	5.1
123.11741	4.6
124.07541	6.8
127.03931	39.3
128.04340	4.5
129.12756	49.6
131.04939	23.0
131.08519	4.9
132.05283	4.1
133.04976	30.3
133.10150	13.7
134.10477	8.0
135.08072	4.8
135.11708	5.2
137.09624	8.5
141.12749	22.0
145.04980	34.7
146.10509	4.4
147.08008	4.7
147.11708	4.1
149.09628	4.7
159.11734	6.0
160.30029	3.6
161.13371	5.0
163.06033	10.8
163.11215	3.9
165.09053	4.6
165.12827	5.1
167.10721	3.8
171.11539	4.4
177.12808	5.1
184.07346	16.9
191.14368	8.8
192.14630	6.7
223.06018	5.6
227.00835	4.0
233.15428	4.4
237.14914	8.6
241.07170	5.0
255.15938	9.3
259.08020	4.7
273.17065	8.5
278.14386	6.8
291.17944	17.8
391.53625	3.4
396.40869	3.5
440.19785	28.9
440.24725	6.5
441.17493	4.8
441.24512	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	439.3573
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57828	1.2
53.03937	1.4
55.05516	7.5
55.05745	1.3
57.07079	11.9
57.31850	1.0
65.03942	1.3
65.69098	1.0
67.05508	23.5
69.07072	18.6
70.74209	3.1
71.08632	3.8
79.05492	9.0
80.26037	1.2
80.96078	1.0
81.07059	78.3
83.08622	9.0
85.10174	1.8
88.06221	1.0
89.06026	5.5
91.05483	6.1
93.07044	12.7
95.08612	100.0
97.10188	4.5
105.07024	14.1
107.08616	14.7
109.06525	1.3
109.10165	42.6
111.11732	3.1
117.07009	3.4
117.46031	1.3
119.08582	12.1
121.10155	13.8
123.11715	36.9
125.13255	1.5
129.07011	2.6
131.08595	6.6
133.08617	2.4
133.10127	10.7
135.11685	7.2
137.13260	52.7
143.08580	4.9
145.10124	11.9
147.11696	9.1
149.13223	6.9
151.14871	4.4
157.10184	6.3
159.11707	9.7
161.09601	1.1
161.13275	6.0
163.14883	2.5
169.10208	1.3
171.11693	8.5
173.13268	9.2
175.14821	6.4
177.16431	2.2
179.17932	7.8
183.08357	1.0
183.10193	1.2
183.11772	1.7
185.13258	4.9
187.14861	5.8
189.16443	3.5
191.18024	3.1
199.14854	9.1
201.16371	6.7
203.17953	1.7
205.19572	1.4
213.16364	12.2
215.17976	11.3
217.12236	2.7
217.19492	2.6
219.13811	2.0
227.17952	4.0
230.55199	1.2
231.17451	1.7
233.15392	2.0
239.14777	1.3
240.15273	1.7
241.19496	8.8
243.21085	7.9
245.15256	2.6
255.20932	5.7
257.22552	1.2
259.17032	7.1
259.19553	0.9
261.18658	1.3
269.22571	5.0
281.22644	1.1
287.20148	2.3
289.21490	2.0
301.21628	1.9
315.23209	1.3
393.35214	15.6
421.34509	1.7
439.36371	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	439.3577
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	12.8
57.07077	7.5
62.78490	3.7
62.92108	2.9
65.03973	3.3
66.21756	3.5
67.05511	18.5
69.07069	28.6
69.27245	30.1
79.05499	15.7
81.07059	50.6
83.08619	10.2
89.06035	19.4
90.06364	5.9
91.05482	19.2
93.07051	42.9
95.08613	76.8
97.10149	8.9
98.20987	12.9
99.34940	3.3
105.07043	29.0
107.08613	53.0
109.10165	50.7
111.08072	6.1
117.07017	3.9
119.08595	61.0
121.10153	49.9
122.17141	3.1
123.11746	21.5
125.09623	5.3
131.08543	9.5
133.08627	10.7
133.10146	42.8
133.92747	3.1
134.08965	5.2
135.11696	39.3
137.13249	8.6
143.08548	3.5
145.10129	20.2
145.49506	2.9
147.11685	44.6
149.13264	21.8
151.37291	3.0
153.09135	5.3
153.97495	3.0
156.09351	3.0
157.10211	6.4
159.11670	15.1
161.13306	24.4
163.11160	3.8
163.14835	19.5
167.10625	4.0
171.11710	5.7
173.13292	9.1
175.14821	20.0
177.16414	9.2
179.10616	3.7
185.13206	4.2
187.14833	12.9
189.16389	47.4
191.17973	82.7
199.14894	5.1
201.16400	12.6
203.14673	3.4
203.17964	100.0
205.19496	24.2
212.15547	3.1
215.17973	7.0
217.15930	7.5
217.19498	15.6
219.17532	4.8
221.19159	6.7
225.16374	3.1
227.17882	4.6
229.19508	7.4
231.21158	5.3
235.16937	7.0
239.14929	11.0
240.15205	8.1
243.21130	4.3
247.17120	4.5
249.18556	20.6
255.21463	4.8
285.22211	3.2
294.23270	3.4
294.29907	3.2
393.35226	7.2
421.34558	8.9
439.30933	4.0
439.36298	77.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3574
Annotation	Calocedimer A
Peak:m/z	Relative Intensity
50.11138	1.5
55.05516	9.7
57.07076	6.4
67.04918	1.3
67.05511	11.7
69.07076	18.2
71.08632	2.6
71.44044	2.6
79.05499	6.8
81.07061	32.0
83.08619	8.0
85.06596	1.7
89.06049	1.9
91.05470	8.1
93.07053	22.3
95.08613	45.6
97.06508	2.4
97.10181	6.4
105.07040	15.7
105.56796	1.4
107.08607	32.6
109.06567	2.1
109.10159	30.0
111.08073	2.0
111.11739	5.3
117.07010	2.9
119.08591	23.9
120.77676	1.4
121.06529	2.9
121.10164	23.2
123.11721	17.0
129.06990	2.6
131.08578	7.8
133.10132	19.6
135.08084	3.7
135.11687	12.6
137.13261	15.3
139.07578	5.1
143.08592	5.8
145.10127	12.3
147.11713	10.4
149.09644	2.4
149.13229	10.8
150.57683	1.6
151.14818	2.1
153.09094	3.8
156.09225	1.7
157.10133	9.3
159.11691	12.5
161.13268	11.2
163.14810	6.1
165.09221	2.4
167.10686	4.6
169.10161	1.6
170.10948	1.7
171.11739	6.8
173.13272	11.1
175.14815	9.8
177.12799	5.6
177.16411	4.8
181.12422	2.7
183.11696	5.0
185.13246	9.0
187.14824	5.6
189.12682	2.0
189.16373	6.9
191.17978	10.4
197.13353	3.2
199.14865	6.0
201.16400	4.9
203.14421	1.7
203.18013	4.5
205.15779	1.8
205.19571	3.4
211.14810	1.8
213.16396	3.4
215.14314	2.0
215.17975	6.2
217.15858	2.1
217.19597	5.2
219.13872	1.9
219.17535	3.1
221.15390	4.3
225.16374	2.6
227.17950	2.0
229.19566	4.9
231.17401	2.5
231.21104	3.9
233.15283	2.6
235.17021	4.5
239.14975	1.8
239.17981	2.7
241.19539	4.9
243.17738	1.6
243.21019	1.9
245.15332	8.1
245.22705	2.8
247.17104	3.3
249.18457	1.6
255.21214	3.0
257.18829	2.2
257.22650	3.3
259.17026	6.9
269.22580	2.8
275.20074	3.5
283.20596	1.7
283.24231	3.5
287.20239	2.7
295.24344	2.3
301.21756	7.5
311.27396	2.4
369.28082	2.1
379.33841	2.9
383.29800	2.4
403.33923	2.8
409.34833	2.7
421.34622	30.0
439.35788	100.0
440.36084	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	439.3573
Annotation	Calocedimer A
Peak:m/z	Relative Intensity
55.05503	15.8
57.07073	7.5
67.05510	24.1
69.07079	40.6
69.23173	32.5
72.04474	4.4
79.05499	16.1
81.07059	64.7
83.08614	13.0
87.04442	8.4
91.05483	15.7
93.07040	37.7
95.08611	89.7
97.06550	3.3
97.10146	5.6
98.20812	8.7
98.21464	6.6
105.07031	38.0
107.08601	55.7
109.10165	57.2
111.08099	5.7
111.11749	5.9
117.07025	5.5
119.08582	58.5
121.06454	3.5
121.10159	50.4
123.08115	5.8
123.11708	26.2
129.06975	5.9
130.07742	4.1
131.08577	12.9
133.10118	44.1
135.08057	5.3
135.11699	35.0
137.09599	4.1
137.13272	14.2
143.08562	13.2
145.10149	26.4
147.08034	4.8
147.11685	23.9
149.09654	6.0
149.13272	19.3
155.08498	3.9
156.09343	6.5
157.10115	18.7
158.10968	4.7
159.11691	31.2
161.09628	5.9
161.13254	22.7
163.14813	12.7
165.12753	4.4
169.10121	6.5
171.11716	12.2
173.13266	23.6
175.11226	3.9
175.14807	21.5
177.12781	7.3
177.16446	8.9
181.10152	3.7
183.11745	5.6
185.13312	12.6
187.14867	10.5
189.12791	3.5
189.16414	17.9
191.14352	5.5
191.17950	38.0
193.15860	5.7
196.12564	3.5
197.13217	10.8
197.19263	3.8
199.14857	18.6
201.16417	10.4
203.14305	16.3
203.17986	8.2
205.19522	9.0
211.14844	7.6
213.16370	7.6
215.18018	7.2
217.15904	11.0
217.19521	19.3
219.17424	16.0
221.15410	11.3
225.16414	7.5
229.16034	3.6
229.19400	5.2
231.17535	4.7
231.21124	7.3
233.15207	4.1
235.16949	57.6
243.17419	4.1
243.21048	4.5
257.18842	4.4
261.18625	6.2
269.22696	3.7
275.20111	5.5
283.24136	3.6
285.22113	4.0
287.23465	3.9
311.27325	8.6
344.50629	3.7
353.31949	7.0
363.30295	6.8
379.33417	3.8
403.33539	15.9
421.34662	43.0
439.35840	100.0
440.35745	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3573
Annotation	Calocedimer A
Peak:m/z	Relative Intensity
51.40897	1.3
53.03972	1.4
53.06762	1.4
53.78050	1.3
55.05517	6.3
57.07066	3.5
67.05508	8.6
69.07066	10.9
70.69952	3.6
71.05000	3.6
79.05489	5.2
80.18214	1.3
80.40806	1.2
81.07063	21.6
83.08617	2.3
83.23945	1.3
85.06538	5.6
89.06065	1.6
91.05486	5.7
93.00674	1.3
93.07059	11.9
95.08614	27.8
97.06503	2.4
97.10184	2.1
105.07038	9.0
107.08583	17.6
109.06503	3.3
109.10152	18.6
111.11746	2.2
117.07001	2.2
119.08594	18.2
121.06651	1.4
121.10152	14.7
123.08065	3.1
123.11723	7.8
131.08565	4.0
133.08641	1.4
133.10146	12.3
135.08075	3.5
135.11688	12.9
137.13274	5.2
143.08575	3.2
145.10069	6.8
147.08066	2.6
147.11703	7.1
149.13292	4.9
157.10190	3.7
159.11713	7.1
161.09581	2.0
161.13298	4.1
163.14828	4.1
167.10657	3.1
171.11732	3.7
173.13284	5.7
175.14870	5.0
177.12711	1.3
185.13287	3.2
187.14865	3.2
189.16412	11.4
195.13792	1.6
197.13326	1.6
199.14847	5.1
201.16382	2.8
203.17969	2.1
205.19464	2.2
207.17465	5.8
211.14856	1.4
213.16431	4.6
215.18045	1.8
217.15872	20.2
219.13774	4.0
221.15399	3.9
225.16405	1.5
227.18057	2.6
229.19620	2.3
231.17549	1.5
231.21133	5.8
243.21049	2.3
245.22604	1.5
255.21082	2.2
258.00983	1.5
269.22620	2.7
286.79648	1.4
325.28894	3.8
393.35156	3.8
395.44977	1.4
421.34702	15.1
439.35742	100.0
440.36078	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3573
Annotation	Calocedimer A
Peak:m/z	Relative Intensity
53.39934	0.7
54.98827	0.8
55.05515	6.4
57.07069	1.9
59.05000	1.3
67.05508	8.7
69.03419	2.0
69.07067	8.5
69.85045	2.9
69.85465	1.2
71.08619	0.9
74.74102	0.7
79.05486	2.3
81.07060	14.5
83.04983	1.7
83.08608	2.9
86.09675	1.8
88.11265	0.9
89.80923	0.8
91.05486	2.8
93.07050	9.4
95.04958	2.0
95.08611	58.9
97.06521	1.3
97.10181	1.4
98.21538	0.9
99.08097	0.8
105.07032	4.8
107.08598	11.7
109.06504	2.7
109.10168	12.7
111.08077	1.3
111.11713	2.3
112.47544	0.6
117.07009	1.5
119.08589	10.6
121.06493	1.5
121.10155	11.0
123.08056	4.2
123.11724	5.3
125.09601	0.9
131.08545	2.5
133.10132	10.2
135.08063	3.1
135.11662	6.2
137.09604	1.4
137.13261	4.3
143.08553	1.2
145.10107	3.8
147.07964	1.3
147.11694	5.6
149.09627	7.6
149.13258	4.7
151.07484	0.8
157.10149	2.1
159.08014	0.9
159.11693	3.5
161.09628	1.7
161.13248	2.5
163.11208	2.0
163.14787	2.2
169.10130	1.0
171.11676	1.5
173.09645	1.5
173.13281	4.5
175.11217	2.3
175.14854	3.2
177.12836	0.9
177.16414	1.6
179.47516	0.8
183.11661	0.7
185.13237	1.2
187.11136	1.1
187.14789	3.5
189.12749	2.0
189.16414	6.1
191.17940	3.7
199.11334	1.0
199.14854	1.7
201.12741	0.8
201.16359	1.2
203.17944	0.9
205.15881	0.8
205.19536	1.2
207.17482	2.4
211.14920	1.4
213.16364	1.8
215.14354	2.5
215.18033	2.9
217.15909	2.7
218.34428	0.7
222.38171	0.8
227.17865	0.9
229.15898	1.7
231.17422	1.5
233.15472	1.5
233.19043	1.8
235.16777	0.9
239.17969	0.9
243.17441	1.4
257.19040	1.3
261.18634	1.0
261.21683	0.9
283.20529	1.5
287.23776	1.9
301.21799	1.1
303.15482	0.8
313.25360	1.2
327.26709	5.5
349.28827	1.2
357.27991	1.2
381.31631	1.9
393.31567	1.8
403.33591	2.4
421.34659	36.6
422.35089	1.0
439.35739	100.0
440.35950	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2696
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	24.4
55.31857	7.5
57.03432	7.5
65.03937	7.6
67.05510	100.0
69.03415	14.8
69.07061	21.5
70.72247	20.2
79.05478	30.7
81.03402	31.1
81.07063	54.0
83.04965	10.7
83.08631	21.4
85.02896	30.3
85.06532	9.3
91.05476	44.0
93.07053	33.3
94.00741	8.0
95.04974	9.6
95.08608	31.9
97.06549	7.2
102.60609	7.0
105.07037	41.0
107.08598	30.4
109.06528	10.6
109.10171	71.4
111.08096	13.6
113.02375	8.0
119.08603	45.4
121.06504	13.9
121.10139	26.6
124.09622	7.6
124.98550	6.9
125.09642	11.0
129.95996	7.5
130.17529	6.5
131.04926	12.5
133.06522	9.0
133.10161	39.9
135.08101	10.1
135.11711	16.4
137.09625	20.5
139.11133	7.8
145.10144	14.9
147.11646	20.1
149.09647	18.7
151.07570	10.1
151.11200	15.5
155.08601	8.6
155.10721	10.6
157.10201	15.7
159.11705	10.5
161.09604	9.7
163.11163	7.7
163.21910	6.8
165.09106	22.6
169.10185	8.5
173.11809	10.2
175.11157	16.8
175.14842	15.3
187.14783	7.2
193.12300	27.0
211.13231	34.3
241.19783	10.0
259.20438	11.9
277.21738	35.4
320.71155	8.1
356.85776	8.5
385.22870	7.6
439.15652	14.6
439.27386	37.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3573
Annotation	Calocedimer A
Peak:m/z	Relative Intensity
55.05503	5.0
57.07056	2.4
67.05510	8.6
69.07079	11.0
71.51683	2.4
78.83517	1.1
79.05495	4.7
81.07053	18.6
83.04971	2.5
83.08625	5.2
89.06026	5.7
91.05486	3.8
93.07046	12.6
95.08608	30.9
97.06547	1.4
97.10150	1.8
105.07035	10.2
107.08585	18.0
109.06538	1.8
109.10155	20.1
117.07042	1.8
119.08588	16.0
121.06541	2.4
121.10145	16.3
123.08097	2.9
123.11717	11.1
125.09632	1.6
131.08603	4.5
133.08620	3.3
133.10114	14.5
135.08080	3.7
135.11702	11.7
137.13295	4.0
143.08554	1.7
145.10168	6.6
147.11673	7.3
149.09644	4.0
149.13264	6.2
157.10162	3.9
159.11688	7.8
160.35817	1.3
161.09630	3.3
161.13289	5.6
163.11255	1.9
163.14821	2.2
171.11765	2.5
173.09666	1.7
173.13277	5.7
175.11160	2.1
175.14859	5.1
177.16399	4.3
183.11783	1.9
185.13255	2.2
187.14833	5.1
189.12743	2.1
189.16364	7.2
191.17957	5.8
197.13332	2.0
199.14819	2.6
201.16457	2.5
203.14275	2.5
203.18027	3.0
205.19594	1.9
211.07436	1.5
213.16402	2.3
215.17993	2.7
217.16006	2.3
219.17418	2.8
219.20895	1.5
221.15375	1.9
227.17896	1.6
229.15884	2.8
229.19460	2.5
231.17357	3.1
235.16997	4.2
239.14996	2.9
240.15112	2.2
241.19490	1.9
243.21048	2.0
257.22549	1.6
259.20468	1.4
269.22690	3.1
270.04062	1.5
285.22296	3.5
403.33670	1.7
421.34943	10.7
439.35757	100.0
440.36011	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2194
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64016	0.3
58.28428	0.3
60.05651	2.5
69.03422	1.1
70.63643	0.7
72.08167	7.8
77.59876	0.3
81.03426	0.4
85.02896	1.2
89.10806	0.4
90.68671	0.4
91.05489	4.4
97.02877	0.6
97.07677	1.8
98.06066	0.6
109.02872	0.4
114.10306	18.2
115.08703	2.0
119.04957	16.9
127.03950	0.8
131.12962	3.8
139.07753	0.4
147.04425	100.0
148.04793	1.4
151.68188	0.4
157.10909	1.0
158.99361	0.3
192.37408	0.4
217.13393	5.2
218.11806	3.9
225.90273	0.4
235.14505	0.8
260.13977	7.3
277.16608	8.6
357.44455	0.4
435.21597	0.4
439.21930	74.1
440.22214	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1302
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96563	4.3
69.03429	2.8
69.16741	1.4
69.17146	9.7
82.99868	3.7
85.02917	4.1
89.00849	1.1
92.89449	1.0
97.02895	1.9
98.97599	31.2
98.98215	2.1
101.00893	35.1
110.97572	1.2
113.00900	2.7
115.02484	5.1
116.98632	5.7
117.03979	1.6
119.01057	1.9
119.01928	39.3
119.04964	1.8
124.99180	1.9
127.02477	2.2
129.04019	1.2
131.00201	1.5
131.01872	4.7
133.03502	7.6
134.99722	1.4
137.02928	1.8
139.02438	5.5
142.36600	1.2
143.00191	4.1
143.01904	9.5
145.03506	5.3
147.04321	7.8
155.00085	1.0
155.01906	1.4
157.03487	47.9
158.99663	2.2
161.01215	5.7
161.02983	7.6
163.04500	3.0
169.03516	4.7
171.05077	1.6
173.01227	1.6
173.02957	1.6
175.04544	26.6
177.00706	2.0
179.01160	1.0
179.02345	10.4
181.05536	1.3
183.05121	1.2
187.04564	3.8
191.02335	1.3
197.03333	3.5
201.06151	1.1
203.07576	1.3
205.03922	1.6
205.05658	9.1
221.03253	5.8
223.06653	86.7
224.06796	3.0
231.07213	1.1
233.03085	0.9
237.02835	1.1
239.04434	15.4
241.07706	10.5
246.08446	1.3
247.04593	1.5
247.06743	1.9
257.01077	2.6
257.05591	1.4
263.09760	2.0
265.07727	100.0
266.07983	4.1
267.07364	1.1
275.02057	2.2
275.09763	3.5
289.11246	1.0
291.05927	2.0
291.09296	5.4
291.12488	1.4
293.09100	1.3
305.10986	1.3
307.12363	3.3
309.06674	7.6
309.10345	16.5
317.10867	2.8
321.10300	3.1
335.11914	8.4
353.12994	15.5
360.73444	1.4
403.06235	2.1
403.11237	24.6
439.22131	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.9
55.01881	1.5
55.05503	5.5
57.03435	1.6
57.07052	1.5
59.04994	1.4
59.50503	1.2
65.03962	2.2
65.56789	1.1
67.05513	6.1
67.41494	1.5
69.03425	7.1
69.07060	5.8
70.73614	3.1
70.73988	2.7
79.05486	7.3
81.03420	4.1
81.07066	9.0
83.04984	3.5
85.02908	4.2
86.09698	2.0
91.05491	8.0
93.07029	8.2
95.04963	5.6
95.08590	5.9
97.02881	3.0
97.06523	1.5
97.10154	2.1
103.05478	17.3
104.05826	5.4
105.03358	2.8
105.07049	12.7
107.04962	5.6
107.08604	24.1
109.02911	2.6
109.06515	4.5
109.10159	9.2
115.02784	1.2
115.05470	2.4
117.07029	3.0
119.08588	7.5
121.06509	3.2
121.10159	13.8
122.07281	6.3
123.08072	2.1
127.03930	3.9
131.04944	40.3
131.08559	5.4
132.05267	17.0
133.05603	7.1
133.10136	100.0
134.10400	1.7
135.08081	6.2
135.11688	2.5
137.09631	49.9
143.08595	1.3
145.04973	2.3
145.10109	3.7
147.04510	1.5
147.11664	3.3
149.09679	6.6
149.13261	8.0
151.07542	1.7
157.10017	1.8
158.10933	2.2
159.11722	2.6
161.09651	1.2
161.13316	1.3
163.14815	2.5
165.09116	2.5
171.11679	2.0
173.09576	2.1
173.13307	6.8
175.08774	1.6
187.11191	2.4
187.14780	1.4
189.12831	1.8
191.14319	36.6
191.16072	1.8
201.12738	1.7
203.05144	1.7
259.16702	1.7
277.14151	2.4
277.40720	1.5
434.20108	1.3
439.23245	28.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1308
Annotation	Unknow
Peak:m/z	Relative Intensity
56.36875	1.1
56.96572	7.5
57.03435	2.1
69.03429	4.1
70.74133	3.5
74.03232	1.1
81.03416	1.4
82.99850	5.2
85.02901	4.3
91.05473	1.7
97.01415	1.3
97.02911	3.9
98.20821	1.7
98.97590	34.8
101.00884	43.0
110.97572	4.8
112.99123	2.5
113.00863	3.5
115.02420	6.4
116.98622	8.2
119.01933	39.5
119.04920	3.6
124.99118	1.3
127.02408	2.2
127.03900	2.7
129.03931	2.1
131.00218	1.8
131.01886	6.2
133.03488	10.0
134.99738	1.5
137.02946	1.8
139.02419	4.6
143.00186	4.0
143.01862	10.3
144.99808	1.6
145.01712	2.8
145.03461	5.7
147.04291	10.9
149.01265	1.7
155.00179	1.7
155.01923	3.8
157.03474	53.8
158.99681	3.8
161.01266	4.2
161.02972	8.8
163.02730	1.6
163.04489	2.4
169.03438	7.1
170.99660	1.5
171.05005	3.7
173.01282	2.1
173.02939	3.1
174.99132	1.5
175.04520	25.1
177.00685	2.8
177.04361	1.3
179.02293	10.9
181.05605	1.8
183.05159	2.0
185.02953	2.0
185.06644	1.6
187.01003	1.4
187.04498	6.6
187.65840	1.5
189.06058	3.1
191.02231	2.8
197.03311	3.5
201.00816	1.4
201.06081	3.4
203.03951	2.5
203.07697	2.2
205.03781	3.0
205.05621	10.7
207.01808	1.6
213.06140	1.5
215.07645	2.0
219.01849	3.4
219.07117	2.1
221.03331	4.8
221.05223	1.8
223.06648	91.9
224.06805	3.3
225.06105	2.5
231.07195	2.5
237.02791	3.5
239.04414	15.9
240.82750	1.2
241.07719	10.5
245.05136	2.6
247.04488	2.8
247.06693	2.7
257.01044	1.5
257.05426	2.4
259.46994	1.3
263.09659	1.7
265.07718	100.0
266.07843	3.7
275.01962	2.3
275.04633	1.5
275.09796	7.9
289.11288	2.7
291.05899	1.8
291.09265	9.6
291.12448	1.9
292.68829	1.4
293.05380	1.3
305.10785	4.2
307.12244	2.3
309.06668	4.7
309.10278	14.5
317.10782	2.0
321.10489	9.3
335.11853	6.1
353.12988	23.2
395.13751	2.2
403.11224	22.0
439.12592	4.9
439.22055	3.1
444.72302	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1129
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.7
55.05510	0.9
56.96299	1.1
56.96571	14.8
57.03452	1.0
61.02927	0.7
69.03440	4.5
69.23581	1.4
69.23991	4.8
70.06607	1.5
71.01359	2.0
73.02921	1.4
73.06557	1.1
84.96049	4.9
85.02921	6.5
87.04470	1.7
90.75866	0.7
91.05509	0.7
97.02897	5.4
98.20654	0.6
98.97597	100.0
108.80112	0.7
109.02873	1.0
110.97584	12.3
112.99164	3.3
115.03976	0.7
116.98636	18.5
118.28078	0.7
119.01913	0.7
124.99121	1.6
126.97036	1.4
127.00694	2.1
127.03948	1.5
128.98622	7.2
129.02243	1.5
131.00217	1.7
134.99643	1.8
138.97052	0.8
140.98601	2.0
143.00197	2.5
143.01935	1.9
144.98111	1.4
145.01720	2.8
145.04974	1.5
146.04138	0.7
146.99631	1.7
147.03294	5.0
147.04434	4.5
147.05528	0.8
152.98615	2.2
155.01874	0.6
155.04654	7.8
155.54800	1.1
156.98055	0.8
157.01639	0.8
158.99675	41.1
161.01228	1.3
161.03015	1.0
162.99118	0.9
164.05183	0.7
165.04373	2.2
168.98096	0.7
170.99690	4.1
171.03305	5.1
175.02782	1.2
177.00739	16.9
182.99609	1.0
183.33096	0.7
185.06598	0.8
187.00977	1.0
189.00732	1.8
189.04353	8.1
193.03851	1.0
201.00732	3.4
201.04388	0.8
207.05432	1.5
210.07552	0.8
219.01787	18.8
226.06081	1.0
227.06836	2.7
231.05447	2.0
236.07373	3.0
237.02853	14.5
278.10245	2.0
280.07132	0.7
291.07538	28.7
293.10837	1.9
298.08142	0.8
307.08597	1.1
309.08591	59.1
310.08987	1.1
321.08597	0.8
332.10480	0.9
335.93597	0.7
351.05557	1.1
351.09702	14.0
352.10013	0.9
363.09579	1.8
379.08887	1.2
394.53711	0.7
395.12192	1.2
407.29291	0.7
421.10019	6.1
439.11255	27.8
439.21835	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	438.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.4
55.01875	2.7
55.05507	2.3
56.76838	2.5
57.03447	5.3
67.05517	4.1
69.03418	12.3
69.07081	7.6
71.04977	2.5
71.08638	52.0
71.50943	4.0
72.08167	2.7
73.02895	2.5
80.05024	2.2
81.03420	8.4
81.07042	3.0
84.08190	2.7
85.02915	19.8
87.00829	8.8
91.05470	5.3
92.05849	2.7
93.07023	4.6
95.08623	3.8
97.02920	12.8
99.08102	100.0
103.05470	16.0
104.05795	7.0
105.01883	8.2
105.07040	3.1
109.02895	6.1
109.10181	2.9
110.49193	2.1
113.02346	5.3
118.53753	2.0
124.03967	88.5
126.49056	2.4
127.03944	12.8
129.12785	19.4
131.04933	34.5
132.05258	21.7
137.06076	2.1
141.01849	12.4
145.04907	5.4
155.08571	11.3
155.14322	2.6
170.78596	2.8
173.15392	68.2
181.10246	4.1
182.10428	2.8
205.10039	2.5
206.10439	3.1
216.08911	7.4
233.09473	3.4
234.09995	8.2
262.09714	3.0
264.49609	2.4
267.72504	2.3
282.26453	2.8
290.07086	2.3
293.12112	2.4
317.81329	3.0
330.85153	2.4
410.85138	2.6
438.21851	23.6
439.22937	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	438.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	2.6
55.01863	2.2
55.05510	2.5
57.03429	3.0
59.16245	1.8
67.05505	2.7
69.03426	5.5
70.06587	7.7
71.50584	2.7
72.08170	2.1
73.02925	4.5
81.07051	3.6
83.04964	2.4
85.02934	10.3
86.09707	2.9
87.02518	2.2
90.39576	2.0
91.05489	3.7
93.07059	1.9
95.08609	3.9
97.02906	2.4
99.04469	2.5
107.08488	2.1
109.02888	2.2
116.07103	4.0
119.04985	2.7
121.06550	2.0
121.10191	3.6
123.04418	4.6
125.09645	2.4
126.03732	2.8
127.03951	3.3
130.98894	2.5
137.09589	3.6
140.04642	5.4
143.59233	1.9
145.10023	2.3
147.04384	5.4
151.07635	2.6
152.04620	2.8
154.08636	3.4
155.07051	6.2
155.10608	4.2
167.07057	100.0
170.05757	25.6
175.22867	2.2
177.05396	2.7
181.08667	12.1
183.06573	2.4
192.07837	2.7
201.96721	2.1
211.09766	2.4
223.09628	5.2
223.13281	3.1
241.10735	18.9
259.11832	12.7
276.12503	3.7
295.93524	2.3
438.19025	2.2
439.21628	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	438.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.2
55.05500	0.5
56.05036	0.2
63.56885	0.1
64.58561	0.1
65.02692	1.3
66.03465	0.5
67.01869	0.2
67.04282	0.1
67.05480	0.3
69.03423	0.2
69.07076	0.2
69.18919	1.5
70.06593	0.2
72.03949	0.2
79.04236	0.5
79.05487	0.3
81.07043	0.2
83.04986	2.1
85.02888	0.1
85.06538	0.2
91.05464	0.3
93.07060	0.2
94.02931	0.3
95.03720	0.6
95.04993	0.2
95.08623	0.5
96.04505	0.5
97.06548	0.2
98.20807	0.4
103.05486	0.4
104.05799	0.3
105.02135	0.8
105.07032	0.5
107.08601	0.4
109.06506	0.3
109.50639	0.1
112.03962	0.3
112.39858	0.1
119.08560	0.4
121.06490	0.3
122.02410	2.6
123.03184	3.0
123.04433	0.4
123.08076	0.5
125.09596	0.2
129.06973	0.2
131.04930	0.8
131.08578	0.5
132.05284	0.5
135.04346	0.2
135.08070	0.3
137.02249	0.2
137.05960	0.3
137.09593	0.2
140.03436	100.0
141.03792	1.1
143.08597	0.2
145.06470	0.3
147.08054	0.5
148.17424	0.2
149.06032	0.2
149.09634	0.2
151.07532	0.3
159.08080	0.4
159.11713	0.2
161.06024	0.2
163.07558	0.3
163.11235	0.2
165.09174	0.3
167.07083	0.2
175.07532	1.0
175.11108	0.2
177.09105	0.5
189.12720	0.2
193.08600	2.5
195.10138	0.2
205.08649	0.5
205.12250	0.6
217.12331	0.3
223.09756	0.3
233.11850	0.2
235.13298	0.3
245.11795	0.2
251.12839	0.7
263.12750	0.9
304.05405	0.2
305.05441	0.2
305.16171	0.2
306.05765	0.2
312.20731	0.2
398.28622	0.1
437.22437	0.2
438.17624	8.3
439.17990	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.2
55.05519	0.3
69.07040	0.2
69.30417	1.3
70.06592	0.2
72.08160	0.2
77.06481	0.2
78.03450	0.9
79.04241	0.2
79.05493	0.4
80.05027	3.3
81.03477	0.2
81.07076	0.4
83.04989	0.4
91.05491	0.2
93.07042	0.3
95.04993	0.2
96.04507	2.3
103.05523	0.2
105.07030	0.3
109.06520	0.5
116.02289	0.2
117.06949	0.2
121.06543	0.3
123.04471	0.2
123.08083	0.3
124.03969	100.0
125.04288	1.0
127.03872	0.2
131.04950	0.7
131.08551	0.2
132.05296	0.2
140.03384	0.3
143.08630	0.2
145.10129	0.3
147.04433	0.4
149.06007	0.7
163.07549	0.7
167.07097	0.2
183.06590	0.2
191.07080	1.1
203.10648	0.2
209.08093	0.9
221.11774	0.5
227.09201	0.2
231.10255	0.3
238.72166	0.2
249.11310	0.5
267.12354	1.4
270.01993	0.2
285.13297	0.4
420.84900	0.2
438.17560	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	438.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01849	0.7
55.05504	0.6
60.72824	0.5
64.65480	0.5
65.02680	1.0
67.05514	1.1
67.27616	0.4
67.93802	0.5
69.03417	0.8
69.07066	0.7
71.51611	0.9
72.08185	0.7
78.03460	1.5
79.04244	0.6
79.05502	0.9
80.05011	3.5
81.07042	1.2
83.05000	0.7
85.02902	1.1
85.06538	0.6
91.05519	0.6
93.07051	1.0
95.03776	0.6
95.05012	0.9
95.08624	1.3
96.04495	2.1
97.02897	0.7
97.06496	0.8
99.04420	0.9
100.08982	0.5
103.05475	0.8
105.02045	0.6
105.07029	1.4
107.08585	0.7
109.06519	0.7
109.10144	1.1
117.07040	0.5
119.08560	0.8
121.06512	0.9
121.10123	0.8
122.02351	1.3
123.03160	1.9
123.08073	1.2
124.03960	100.0
125.04326	0.9
125.05991	1.1
131.04918	1.6
131.08549	0.8
132.05247	1.4
135.08022	0.7
139.11215	1.1
140.03435	74.0
149.09642	0.9
151.07610	0.7
155.10631	1.1
159.08072	1.1
160.15308	0.5
173.11690	0.8
181.12244	0.7
181.16321	0.5
188.50266	0.5
215.10632	0.6
223.13179	0.6
231.10312	0.5
233.11816	0.6
241.14456	1.5
249.11316	1.0
261.11273	1.6
279.12213	1.3
297.13385	1.7
420.16370	1.2
438.17560	12.7
439.17374	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	437.3414
Annotation	Petrosiacetylene D
Peak:m/z	Relative Intensity
55.05509	1.8
57.07082	1.5
67.05497	2.2
69.03400	1.3
69.07058	4.1
69.24054	8.0
72.08493	0.9
79.84382	1.0
81.07048	5.8
83.08618	1.6
89.06059	1.4
91.90492	1.0
93.07036	4.2
95.08602	7.9
97.02446	1.0
104.54317	1.0
105.07008	2.3
107.08594	3.8
109.06501	2.1
109.10168	4.8
119.08580	3.2
121.10168	3.7
123.08073	1.1
123.11729	1.8
131.08611	2.8
133.10126	2.6
135.08049	1.3
135.11702	2.1
137.13284	1.6
145.10149	3.4
147.11697	1.4
149.13266	2.0
157.10110	1.4
159.11708	3.5
161.13278	2.2
163.14867	1.3
171.11703	1.6
173.13206	5.5
175.14812	1.2
185.13251	1.5
187.14809	3.0
189.16328	1.2
191.14302	1.6
191.17894	1.1
197.13210	1.2
203.14308	1.6
205.15884	1.6
213.12827	2.1
215.14349	1.5
374.09045	1.0
395.33115	2.9
419.33057	2.5
437.34198	100.0
438.34476	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	437.3418
Annotation	Petrosiacetylene D
Peak:m/z	Relative Intensity
53.03938	0.9
55.05516	3.1
57.07070	1.4
58.61176	0.4
59.05007	0.4
64.12313	0.4
67.05510	5.3
69.03428	1.8
69.07072	9.1
70.46389	0.5
70.46742	1.3
71.05035	0.6
71.08628	0.5
79.05499	3.5
81.03451	0.4
81.07066	14.4
83.04993	1.2
83.08602	2.2
85.06528	0.5
87.04459	0.4
89.06026	0.9
91.05478	3.1
93.07054	8.4
95.04969	1.7
95.08615	24.1
97.06532	1.9
97.10150	1.2
99.98937	0.5
102.18557	0.4
105.07030	6.6
107.04970	0.6
107.08604	13.5
109.06526	2.3
109.10162	11.7
111.08105	0.8
111.11736	1.9
117.07018	1.1
119.04968	0.6
119.08586	8.4
121.06524	2.1
121.10159	11.4
121.11044	0.6
122.07290	1.5
123.08086	2.6
123.11713	4.4
125.09641	0.9
129.06964	0.9
131.08582	3.5
133.06497	0.6
133.08586	0.6
133.10143	6.9
135.08066	10.3
135.11711	6.1
137.09634	9.7
137.10414	0.2
137.13274	5.8
137.32875	0.4
143.08595	2.8
145.10126	6.9
147.08072	1.5
147.11693	4.3
149.09633	15.5
149.13228	3.2
151.11232	0.9
155.08589	0.6
156.09306	0.8
157.10149	3.2
159.08113	0.8
159.11691	5.5
160.08798	0.6
161.09650	4.4
161.13248	3.0
163.11203	4.2
163.14835	1.5
165.12842	0.5
169.10158	1.0
171.11679	3.2
172.08896	0.6
173.09639	1.4
173.13278	4.1
175.11218	3.9
175.14848	1.7
177.12761	2.5
177.16426	1.5
181.12245	1.1
183.11751	1.8
185.09621	0.9
185.13213	2.1
185.28851	0.4
187.11203	3.2
187.14787	2.6
189.12767	6.0
189.16380	1.7
191.14355	1.6
191.17967	2.2
193.12299	0.6
195.11769	0.8
197.13306	0.9
199.11206	1.0
199.14864	1.7
201.12695	1.0
201.16418	1.4
203.14394	1.3
203.18005	0.9
205.15921	2.1
205.19568	2.0
206.16371	0.4
207.13588	0.4
209.13283	0.6
211.11250	0.6
211.14780	1.4
213.12845	1.3
213.16316	1.1
215.14417	1.1
215.17923	2.8
217.15941	0.8
217.19600	0.7
219.17354	0.6
225.16418	1.0
227.14345	0.8
227.18045	0.8
229.19572	1.1
231.13838	1.6
231.21135	0.9
233.15457	0.9
233.18936	1.0
237.16258	0.5
239.14525	0.5
241.15916	0.8
241.19452	0.7
243.21068	1.6
245.22644	3.8
253.19609	0.5
255.17397	0.9
255.21275	0.7
257.22791	1.0
263.18060	0.9
267.21002	0.6
269.22723	1.1
271.24261	0.6
273.18472	1.2
281.19073	2.4
281.22229	0.5
283.24246	0.9
285.18637	1.0
299.20154	1.8
301.21872	0.6
313.21677	0.9
323.27451	0.6
327.23404	0.5
340.63214	0.4
341.24664	0.6
365.32083	0.7
391.33286	0.8
401.32025	2.4
419.33087	6.3
420.33527	0.5
437.34204	100.0
438.34576	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.3416
Annotation	Petrosiacetylene D
Peak:m/z	Relative Intensity
50.07450	1.6
55.05498	3.4
57.07061	3.4
59.05010	2.3
67.05499	5.2
69.03427	1.9
69.07076	8.0
69.44067	3.7
69.44474	9.2
79.05491	4.8
81.07063	9.8
83.08621	2.8
89.06037	5.1
91.05486	5.0
93.07043	6.3
95.08601	18.8
97.10150	2.1
105.07048	5.7
107.08616	11.9
109.10153	11.8
117.07006	1.9
119.08575	10.9
121.10169	9.4
123.11705	4.9
131.08557	3.5
133.08658	2.6
133.10130	10.6
135.08058	2.5
135.11711	5.6
137.13287	4.8
143.08565	2.7
145.10155	6.5
147.11687	5.7
149.13269	2.8
157.10144	3.7
158.10797	1.8
159.11702	8.2
161.09607	3.2
161.13293	3.8
163.11185	2.7
170.10928	2.9
171.11670	3.5
173.09547	1.9
173.13283	7.5
175.11224	4.1
175.14824	2.2
177.12936	1.5
177.16418	2.4
185.13336	7.8
187.14868	3.4
189.16455	2.0
191.14391	4.0
191.17999	2.1
197.13185	2.5
203.14345	2.5
213.12781	4.4
217.12291	2.0
233.15508	3.0
239.14853	3.4
266.16736	1.9
278.84903	1.5
284.28281	1.6
300.26697	1.5
333.16882	1.8
419.33127	11.7
437.34174	100.0
438.34625	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	437.1088
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01596	0.2
51.02175	0.1
51.02395	0.4
53.03959	0.9
54.28642	0.1
55.01882	0.4
55.05523	0.2
57.03440	0.2
67.01884	0.2
67.05511	0.3
69.03441	0.6
69.07121	0.1
69.52341	0.7
71.01374	0.1
71.05009	0.1
73.02945	0.1
77.03918	0.9
77.48058	0.1
79.05526	0.1
81.03471	0.1
81.07071	0.4
83.08643	0.1
85.02915	1.0
91.05493	0.2
93.07066	0.3
93.77029	0.1
95.01336	0.1
95.04993	1.2
95.08625	0.4
97.02921	1.2
97.10170	0.1
98.21436	0.2
100.22095	0.1
102.04676	0.5
103.05485	41.9
104.05799	0.6
105.04560	0.6
105.07050	0.2
107.04926	0.1
113.02404	1.0
119.08562	0.2
121.10188	0.1
123.04482	0.1
129.01884	0.2
129.06985	0.1
129.39191	0.1
131.04950	100.0
132.05273	1.3
133.05598	0.1
138.84932	0.1
141.01846	2.4
144.08047	0.1
149.06015	2.3
153.12784	0.4
154.13101	0.2
159.02925	0.2
159.11794	0.1
167.07068	0.1
173.05881	0.1
181.04907	0.2
182.05363	0.2
203.06955	0.2
234.08401	0.1
261.07590	0.2
263.09100	0.4
265.97839	0.1
289.07065	0.5
307.08212	0.9
407.34171	0.1
437.10907	0.1
437.21567	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41764	1.4
53.03948	2.1
55.05503	2.0
67.05495	1.7
69.03432	3.2
69.07073	2.1
71.04991	11.9
73.06537	4.3
79.05489	4.0
81.03414	2.1
81.07054	16.6
85.02903	3.5
87.00854	1.8
91.05493	2.1
93.07040	12.8
95.04961	1.9
95.08606	2.5
96.66218	1.4
97.02896	3.1
103.05478	29.6
104.05801	3.6
105.01842	3.2
107.08607	9.4
109.10214	1.6
127.03933	3.3
128.65785	1.5
131.04935	68.8
132.05302	9.1
135.11696	16.9
149.05965	1.6
153.12755	100.0
166.70454	1.3
181.05034	1.6
183.71216	1.5
304.05212	1.9
310.66785	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.306
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82578	0.8
55.05516	1.1
57.07078	7.8
58.06583	2.3
67.05513	1.4
70.06596	18.3
71.08617	2.6
71.51655	1.2
75.02357	1.0
81.07017	1.3
88.07639	23.6
95.08629	0.8
102.09183	16.0
103.01836	3.8
104.06187	0.8
105.07066	0.8
119.08562	0.7
120.02110	0.7
135.04425	5.5
141.13127	0.7
147.04419	1.2
153.05431	1.7
163.03906	85.2
163.05042	5.6
164.04202	1.4
175.53076	0.7
191.07120	1.2
207.06541	94.6
208.06860	1.0
212.23695	0.7
256.26367	62.2
257.26709	1.3
267.81653	0.8
378.02542	0.7
436.30606	100.0
437.30783	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	437.0611
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96568	38.1
61.02930	1.0
62.38054	0.9
69.03429	2.3
69.24020	0.9
69.61596	5.9
71.01356	2.0
71.04974	0.9
71.95261	1.7
80.74767	1.0
81.03436	1.1
82.29498	1.0
84.96040	45.0
85.02901	4.0
87.04436	1.1
90.24120	0.9
97.02917	2.7
98.97593	21.4
99.04456	1.1
102.97077	3.7
110.97578	100.0
112.99144	5.5
113.00886	1.6
115.00690	1.0
116.98598	4.6
119.01903	1.4
124.95470	2.8
124.99147	3.2
126.97045	3.0
127.00681	4.1
128.98618	44.7
131.00209	2.0
131.01938	1.4
133.01772	1.0
134.99673	1.3
137.00833	1.0
138.97035	15.6
139.49022	0.9
140.98636	5.1
141.09621	0.9
142.96538	1.8
143.00140	5.0
143.01942	1.2
144.98074	3.4
145.01697	2.2
146.99696	8.2
150.97002	4.8
152.98630	5.5
155.01988	1.9
156.98103	38.0
158.99660	5.8
159.05081	1.6
161.01195	1.2
167.00185	1.6
168.98103	11.3
170.99663	16.0
171.05124	2.3
173.02940	1.2
174.99159	37.7
175.00690	1.9
177.00787	2.1
182.99739	3.4
183.63014	1.1
184.97615	3.3
186.99181	10.4
189.00766	5.9
193.00241	3.6
194.99690	1.3
196.97581	11.2
201.00717	2.8
201.06129	1.7
202.98683	2.7
205.00243	2.2
210.99197	1.4
213.00731	3.8
214.98616	17.7
217.00301	1.9
219.01817	5.4
221.05145	2.5
222.99068	1.3
225.00755	1.2
229.00177	3.4
232.99696	9.4
237.02843	2.5
239.04196	1.0
241.00313	4.6
244.99675	1.1
245.32381	0.9
251.00798	2.1
253.00128	1.2
256.99872	1.7
259.01419	1.7
261.08206	3.5
262.05243	1.0
268.99640	1.2
271.01184	3.4
275.00732	1.3
275.13858	1.9
279.09293	4.4
291.09409	1.2
293.05457	1.2
295.07217	1.1
296.99136	1.2
305.10928	1.2
306.11053	1.4
315.00244	2.1
321.10257	2.1
327.00241	10.3
345.01291	68.0
346.01678	1.3
363.02368	30.4
381.03235	1.0
387.02380	7.4
405.03519	2.0
437.10040	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	435.1652
Annotation	CHEBI:67628
Peak:m/z	Relative Intensity
51.02377	1.7
53.03936	2.6
55.01868	2.6
55.05513	3.0
65.03947	8.7
67.05498	5.3
69.03434	5.7
69.43350	2.4
69.43751	6.5
73.02907	1.3
74.85388	1.4
78.04714	1.6
79.05492	12.8
81.03412	7.0
81.07051	4.6
82.04192	3.3
83.04971	3.1
85.02912	8.1
91.05501	8.4
93.03397	2.9
93.07059	2.5
95.04958	6.5
95.08586	1.3
97.02858	2.3
97.06553	2.8
100.11267	2.4
100.27985	1.1
103.05474	21.7
105.03371	1.5
105.07023	4.1
105.46946	1.1
106.04198	3.4
106.89505	1.2
107.04962	32.1
107.08601	2.1
108.02069	1.5
109.10201	1.3
110.03671	4.2
111.04466	6.0
113.02393	1.6
115.05457	4.7
117.07021	5.4
119.04929	3.5
119.08607	1.9
121.06484	2.2
121.10184	1.5
123.00777	1.5
123.04419	3.5
124.05254	2.5
125.05978	3.8
127.03888	6.0
128.06213	1.8
129.06993	3.4
131.04939	47.2
131.08597	3.1
133.06410	1.6
137.05969	2.2
138.03093	2.1
141.01869	2.1
141.07033	2.6
142.02620	2.6
144.05676	4.6
145.06499	10.9
147.04436	9.2
147.08040	2.3
149.06004	4.2
151.03896	2.7
152.04698	1.8
153.01834	19.3
153.05429	3.2
155.04865	1.4
155.05991	1.7
157.06471	2.5
159.04385	1.3
159.08026	4.3
161.05989	6.0
167.07054	46.3
171.04340	1.7
171.06584	2.8
172.05202	11.1
173.05946	6.0
175.07565	1.5
177.05562	1.2
181.04962	100.0
182.05336	1.5
182.15379	2.4
185.06117	2.1
187.07553	8.5
189.05475	3.8
190.06345	1.4
191.07027	1.8
191.10652	1.2
195.03067	1.5
195.06528	2.0
200.04688	3.9
201.05426	6.1
205.08630	5.3
206.05733	2.8
209.08084	4.2
210.14857	2.1
211.07716	1.4
213.05450	1.5
217.08511	1.6
218.05728	7.7
219.10196	6.2
221.07935	7.4
231.06425	1.9
233.08083	56.6
235.07587	1.6
235.09712	2.2
241.08740	1.3
245.08081	2.0
249.08943	1.5
251.09132	3.4
263.07077	1.4
263.09244	11.2
273.07538	16.8
279.09808	1.5
287.05463	9.4
288.05835	2.0
289.06039	5.6
292.90720	1.3
293.08060	1.4
303.05005	6.8
307.09390	1.6
339.12515	1.5
354.66165	1.3
355.11801	3.3
367.11810	2.3
371.15173	1.5
375.08615	11.0
381.13446	2.8
387.14328	8.2
399.14456	4.7
417.10202	1.4
417.15417	28.8
435.10904	7.8
435.19821	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	435.1294
Annotation	Chalconaringenin 4-glucoside
Peak:m/z	Relative Intensity
51.07847	0.6
51.83352	0.6
53.22837	0.6
55.01868	0.7
55.05501	0.7
57.03421	0.7
61.02925	1.0
65.03952	1.2
66.42572	0.6
67.05506	1.3
68.99807	1.1
69.03433	1.7
70.14733	2.6
73.02918	0.9
79.05495	2.1
81.03429	1.4
81.07060	1.3
83.04990	0.8
85.02913	3.3
91.05474	3.9
93.07047	1.0
95.04975	2.2
95.08618	1.2
95.63576	0.6
97.02908	1.2
102.72403	0.6
103.05476	4.6
105.07027	2.1
107.04971	3.0
109.10172	1.6
110.06770	0.7
111.08100	0.8
115.11789	0.7
119.04968	8.6
119.08598	0.9
121.02856	0.8
121.06500	0.7
121.10133	0.8
123.04433	3.6
127.03944	1.6
129.06929	0.6
131.04958	9.1
131.08604	1.0
132.38293	0.6
137.02429	0.9
137.06003	0.9
145.04942	0.9
145.06520	1.0
145.48999	0.7
147.04431	30.2
151.04021	0.8
153.01849	61.8
154.02208	0.9
157.06483	0.8
159.08119	0.8
167.07118	4.5
171.02956	0.8
172.05235	0.8
173.05931	0.9
179.03432	1.0
181.04979	7.7
187.07507	0.8
189.05511	1.7
195.02928	1.6
201.05492	1.7
213.05525	1.4
219.03061	0.8
221.08131	0.8
231.06546	13.8
231.29337	0.7
233.08092	5.5
255.06685	0.9
263.09149	1.0
271.06027	2.5
272.06424	2.2
273.07614	100.0
274.07938	2.7
287.05457	1.5
288.05768	0.9
289.06055	1.8
303.05020	10.5
385.59647	0.6
387.14462	0.7
411.24258	0.7
417.15735	3.0
435.10944	1.1
435.20792	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.0928
Annotation	Quercetin-3-Arabinoside
Peak:m/z	Relative Intensity
53.03934	0.5
55.01882	2.1
57.03436	1.0
58.09755	0.4
61.02919	1.8
65.03939	0.9
67.05511	1.0
68.99796	1.0
69.03425	1.5
69.07087	0.8
71.01340	0.6
71.17915	1.0
73.02929	10.5
79.05493	1.0
81.03413	1.0
81.07041	0.9
83.04990	0.6
85.02914	1.6
86.09704	0.4
91.05484	1.1
93.03419	0.8
93.07050	0.4
95.04964	0.6
95.08607	0.4
97.02877	0.6
103.05463	1.3
105.07034	0.5
107.04943	1.4
109.02893	1.2
111.00822	0.9
115.03913	0.8
115.05447	0.5
116.06139	0.4
117.07034	0.5
121.02151	0.4
121.02876	2.8
121.10167	0.4
123.04424	1.2
127.03925	0.9
131.04948	2.6
131.08527	0.4
135.04451	0.6
137.02368	10.8
137.03413	0.7
137.05995	1.3
140.03429	0.6
141.01778	0.6
141.06998	0.7
145.06477	0.9
145.10121	0.5
147.04445	1.0
149.02365	0.9
153.01843	4.5
155.75499	0.4
161.06029	1.2
163.03946	1.7
165.01846	3.4
167.07120	2.8
171.04439	0.4
172.05208	0.5
173.06047	1.3
175.03897	0.7
177.01813	0.9
179.03516	0.5
181.04967	4.3
183.02905	1.1
183.04436	0.7
185.06076	0.5
187.03955	1.7
189.01842	0.7
189.05545	0.5
191.03456	0.8
191.06972	0.5
195.02902	0.9
201.05489	2.5
203.03416	0.9
205.05029	0.7
205.08669	0.7
211.03955	0.4
213.05426	0.6
215.03487	0.5
217.04956	0.4
218.05705	0.7
219.02895	0.7
219.06468	0.4
229.04979	4.4
231.02933	0.5
233.08115	3.0
239.06898	0.5
241.05138	0.6
245.04504	0.9
247.06009	0.8
255.06422	0.5
257.04489	3.1
259.06018	0.9
271.05917	0.6
273.07538	1.1
273.12271	0.7
274.04764	0.8
285.04031	2.1
287.05740	0.4
289.06161	1.1
295.06161	0.4
295.09314	0.5
299.05536	1.6
301.03409	0.5
302.04221	1.2
303.05032	100.0
304.05292	2.8
307.06131	0.4
313.07013	1.1
315.05023	18.4
316.05731	2.1
327.04996	4.3
329.06720	3.0
339.05008	0.7
341.06671	2.9
345.02200	0.8
345.06104	11.6
353.06641	3.6
355.72754	0.5
357.06213	1.5
369.06131	9.1
371.07523	0.6
375.07190	1.2
381.06091	4.2
399.07175	13.9
417.08282	7.3
417.15198	2.4
435.09210	11.8
436.09723	0.6
440.40839	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.108
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80473	0.2
53.03917	0.6
55.01845	0.2
55.05507	0.5
64.87879	0.2
65.03918	0.4
67.05472	0.6
68.74025	0.2
68.99791	1.3
69.03392	0.6
69.07040	0.5
69.80345	0.2
71.04987	0.2
73.02895	0.3
79.05501	5.9
81.03392	0.6
81.07085	1.2
83.04971	0.4
85.02891	0.5
91.05495	1.4
93.07021	0.8
95.04951	0.6
95.08593	0.6
97.06512	0.2
98.20725	0.4
103.05481	1.4
105.03376	1.1
105.04471	0.3
105.07034	1.4
107.04971	14.1
107.08553	0.6
109.02856	0.6
109.10118	0.8
111.00800	1.5
111.04459	0.3
117.06991	0.5
119.04948	0.3
119.08548	0.6
121.02885	5.0
121.03759	0.2
121.06487	0.7
121.10122	0.4
123.04472	0.3
123.11727	0.3
124.03933	0.7
125.05997	0.3
127.03873	0.4
129.06993	0.4
131.04939	2.4
131.08580	0.5
133.02824	0.9
133.06517	0.3
133.10107	0.5
135.04445	0.4
135.08032	0.3
137.02342	1.7
137.05963	0.5
137.09554	0.2
139.07600	0.3
141.07065	0.4
145.06459	0.7
145.10114	0.6
147.04449	1.5
147.11678	0.4
149.05992	1.6
149.13194	0.2
150.42494	0.2
151.07484	0.2
153.01848	9.2
157.06528	1.2
159.08054	0.2
159.11639	0.4
160.55440	0.2
161.05963	0.5
161.09676	0.3
163.11089	0.3
165.01855	3.0
165.05557	0.3
167.07068	1.3
169.06439	0.3
169.10081	0.3
171.03072	0.2
171.04459	0.7
171.11681	0.4
173.06032	0.4
177.05472	0.4
181.04987	1.6
183.02951	1.2
185.06017	1.2
189.05400	0.3
191.07021	0.3
201.05539	0.5
203.06879	0.3
209.07985	0.3
213.05493	2.7
229.04956	0.8
230.05701	0.2
231.06474	1.1
233.08095	0.7
235.07509	0.2
241.04910	1.3
241.15530	0.2
258.05264	2.2
259.06064	0.9
269.04633	0.5
286.04721	0.7
287.05530	100.0
288.05887	3.0
289.06000	1.7
303.05045	2.3
313.98737	0.2
326.04080	0.3
375.08673	1.7
389.10214	1.4
417.09689	0.6
417.15588	0.9
435.10818	17.0
435.20227	0.8
435.32877	0.4
436.11472	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	6.9
55.01872	8.6
55.05525	1.3
57.03440	5.0
61.02924	4.1
68.99796	2.9
69.03439	23.5
69.53825	10.3
70.06593	1.3
71.05003	4.6
73.02920	9.4
79.05502	2.3
79.89630	1.5
81.03428	23.1
81.07082	7.7
85.02916	60.6
87.00843	24.4
91.05499	6.1
93.07056	2.4
94.04163	1.7
95.04995	2.1
97.02904	23.4
98.20802	2.3
99.04475	10.4
103.05474	1.6
105.01875	17.9
105.07034	2.1
107.04968	3.8
108.04509	9.1
109.02890	22.3
109.06536	23.6
115.03962	2.0
117.01858	3.6
118.37970	1.4
119.06099	2.1
121.06477	1.8
123.11751	2.0
126.05534	4.1
126.10039	1.4
127.03928	40.5
129.01842	2.7
131.04927	5.5
131.08603	1.8
133.06577	1.5
137.05991	43.0
145.04991	18.5
145.10086	1.6
151.07513	1.4
153.01868	2.7
154.06297	1.5
159.02890	13.8
167.07030	1.8
169.08617	100.0
177.10471	1.3
181.05000	2.3
181.08646	2.4
195.06555	2.2
201.16382	3.4
211.09804	2.2
212.05513	1.5
219.17465	1.6
230.06612	2.6
231.05127	7.9
233.08173	2.5
248.07680	2.7
250.82637	1.5
257.04416	1.5
277.10767	1.6
287.05563	12.2
288.03006	1.8
288.05920	22.9
299.58832	1.4
303.05081	24.1
329.62827	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.0927
Annotation	Quercetin-3-Arabinoside
Peak:m/z	Relative Intensity
57.03445	0.8
61.02928	1.0
61.63892	0.7
68.99787	1.4
70.30604	2.3
70.30949	0.7
73.02921	12.8
82.71879	0.7
111.00781	1.1
121.02892	1.0
137.02344	3.0
143.27634	0.7
153.01862	4.5
165.01849	2.1
179.55013	0.7
183.02934	1.1
201.05420	2.0
202.37419	0.8
229.05006	4.5
247.06111	0.8
257.04480	3.1
274.04813	0.9
278.44443	0.8
285.03760	1.1
303.05014	100.0
304.05289	3.3
315.04959	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1135
Annotation	Unknow
Peak:m/z	Relative Intensity
60.29306	0.1
68.99801	0.7
69.75504	0.9
71.04979	0.4
71.70646	0.2
75.04447	0.2
79.05495	0.2
81.03395	0.2
85.02893	0.5
103.05477	0.4
105.03379	0.5
107.04974	0.3
109.02928	0.2
111.00813	0.8
119.06941	0.2
121.02875	3.0
127.03965	0.2
131.04950	0.8
133.02852	0.7
135.04411	0.2
137.02332	0.9
141.06947	0.3
145.06512	0.3
147.04395	0.6
153.01842	4.3
157.06532	0.3
165.01846	1.8
171.04419	0.2
183.01489	0.2
183.02924	1.0
185.05989	0.5
189.05498	0.2
197.06075	0.2
213.05484	1.5
231.06531	0.8
241.05016	1.0
258.05273	1.2
259.06042	0.6
269.04425	0.3
287.05521	100.0
288.05801	1.9
339.89093	0.2
346.24701	0.2
433.11337	0.3
434.86362	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1132
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.1
56.56469	0.1
60.89947	0.1
65.03943	0.1
67.01859	0.1
68.99790	0.8
69.03406	0.1
69.51125	0.3
69.51554	0.2
71.05002	0.4
74.73862	0.1
79.05489	0.2
81.03428	0.1
85.02895	0.3
103.05477	0.1
105.03384	0.4
107.04965	0.6
109.02911	0.3
111.00813	1.0
119.04962	0.1
121.02869	3.2
121.06556	0.1
127.03938	0.1
129.05455	0.1
129.07034	0.2
133.02855	0.6
135.04428	0.2
137.02359	0.9
141.06996	0.1
145.06477	0.3
147.04372	0.7
153.01836	4.9
153.96809	0.1
157.06464	0.6
161.06001	0.2
165.01840	2.2
171.04401	0.3
175.03888	0.1
181.05005	0.2
183.02892	1.1
185.05978	0.6
189.05473	0.2
194.02066	0.1
197.06058	0.2
199.03934	0.1
213.05460	1.8
229.05022	0.2
231.06480	0.9
241.04933	1.0
243.06447	0.1
258.05255	1.5
259.06046	0.4
269.04507	0.2
287.05499	100.0
288.05835	1.9
380.11230	0.1
403.13986	0.2
433.11023	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2355
Annotation	PA(18:3(9Z,12Z,15Z)/0:0)
Peak:m/z	Relative Intensity
55.01854	3.9
55.05502	12.2
55.42053	3.6
57.03437	10.9
57.07076	5.7
59.28566	3.5
67.05512	46.5
69.07079	14.4
71.51156	5.5
79.05504	28.4
81.07068	43.8
83.08640	4.8
85.06598	3.4
91.05488	13.6
93.07053	33.6
95.04995	4.2
95.08608	46.7
98.98476	78.4
100.46847	3.5
105.07070	18.7
107.08591	27.8
109.10160	25.4
117.07005	6.1
119.08598	12.9
121.02812	4.8
121.10168	23.1
123.11703	12.4
131.08559	12.1
133.10201	7.1
135.11723	16.5
145.10155	10.1
146.15544	3.6
147.11697	9.1
149.13312	12.5
155.01045	10.1
155.87880	3.5
157.99352	4.2
159.11737	7.0
161.13333	5.5
163.14824	8.2
173.02138	11.9
173.13338	4.6
177.16341	4.5
185.13234	3.8
219.17336	3.9
243.21121	12.3
246.36980	3.9
261.22226	44.1
271.05997	5.3
287.05530	100.0
317.24948	7.5
335.25864	63.6
457.55325	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1688
Annotation	Unknow
Peak:m/z	Relative Intensity
62.59353	0.4
67.11589	0.4
68.99822	0.5
69.03418	0.4
69.17992	3.3
72.08141	0.6
73.83712	0.5
79.05476	0.4
85.02909	0.8
86.09690	0.6
90.55969	0.4
98.21628	0.7
107.04961	0.5
121.02887	1.8
147.04384	0.6
151.07571	2.0
153.01886	2.2
165.01840	1.0
180.14952	0.4
183.03017	0.6
258.05215	1.0
259.07864	1.3
271.11624	1.5
287.05533	42.3
288.05838	0.8
289.11340	1.1
301.79581	0.4
343.10477	0.6
401.14166	1.1
433.16864	100.0
434.17059	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	433.1131
Annotation	Kaempferol-3-Rhamnoside
Peak:m/z	Relative Intensity
55.10381	0.1
65.03938	0.1
67.01859	0.1
68.94553	0.1
68.99796	0.8
69.03419	0.1
69.15880	0.9
71.05003	0.5
78.77235	0.1
79.05480	0.1
85.02923	0.4
105.03392	0.4
107.04958	0.4
109.02884	0.3
111.00808	0.8
113.43073	0.1
121.02002	0.2
121.02872	3.1
127.05508	0.1
129.05429	0.1
129.06998	0.1
133.02858	0.7
135.04407	0.1
137.02371	1.1
145.06500	0.2
147.04391	0.6
153.01840	4.5
157.06418	0.5
161.05988	0.2
165.01836	2.3
171.04459	0.3
183.02921	1.0
185.05994	0.6
189.05453	0.1
197.06029	0.2
203.07036	0.1
213.05493	1.6
229.04924	0.2
231.06538	0.8
241.04936	1.0
243.06583	0.1
258.05280	1.3
259.06033	0.6
269.04422	0.2
287.05515	100.0
288.05835	2.6
299.05478	0.1
343.22339	0.1
433.11172	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1132
Annotation	Sophoricoside
Peak:m/z	Relative Intensity
58.80685	0.2
62.45003	0.1
67.01863	0.5
68.99797	0.5
69.32899	1.2
81.07037	0.2
85.02900	0.4
85.06519	0.1
86.09740	0.2
91.05465	0.5
95.04949	0.2
105.07011	0.2
111.00794	0.2
119.04953	2.1
119.08580	0.2
121.02904	1.0
131.04865	0.2
145.02809	0.6
147.04410	0.2
153.01834	5.5
159.11650	0.2
163.03923	0.5
165.01848	0.3
171.02930	0.3
187.03847	0.2
197.05811	0.2
213.05565	0.2
217.15903	0.2
225.05457	0.3
229.05067	0.4
243.06444	0.4
269.04370	0.2
271.06015	100.0
272.06357	2.4
287.05502	11.4
287.08884	0.3
288.05759	0.5
311.02689	0.2
418.73575	0.2
433.11029	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1133
Annotation	Kaempferol-3-Rhamnoside
Peak:m/z	Relative Intensity
50.54556	2.0
51.74364	2.0
52.65277	1.7
53.17582	2.3
57.78458	1.8
65.34745	1.9
70.64087	4.7
70.64419	3.6
71.04996	21.2
71.98238	2.0
84.33141	2.3
85.02908	21.0
129.05484	4.9
131.04955	3.2
137.02390	2.5
153.01765	3.0
287.05518	100.0
288.05817	2.6
342.17111	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	433.1136
Annotation	Kaempferol-3-Rhamnoside
Peak:m/z	Relative Intensity
50.55542	0.1
53.03958	0.1
54.14674	0.1
55.01860	0.2
67.01863	0.1
67.05489	0.2
68.99798	0.9
70.16014	0.5
71.04999	0.4
72.27266	0.1
75.71597	0.1
79.05487	0.4
79.11671	0.1
81.07047	0.2
85.02902	0.8
91.05502	0.2
95.04969	0.2
95.08611	0.3
103.05514	0.6
105.03399	0.5
105.07041	0.2
107.04942	0.7
107.08595	0.1
109.02888	0.4
109.10121	0.2
111.00829	1.1
121.02877	3.5
121.10168	0.1
127.03915	0.3
129.07016	0.3
131.04935	0.9
133.02841	0.5
135.04390	0.2
137.02359	0.9
144.05777	0.1
145.06421	0.2
147.04379	0.8
153.01845	5.0
157.06512	0.5
161.06012	0.3
161.09796	0.1
165.01851	2.4
167.14357	0.4
171.02957	0.1
171.04391	0.3
181.05051	0.1
183.02927	1.0
185.06024	0.8
197.06003	0.2
203.07030	0.2
213.05493	1.8
229.04990	0.2
231.06520	0.8
241.04982	1.0
243.06419	0.1
245.04523	0.1
257.78879	0.1
258.05237	1.2
259.06122	0.6
271.05963	0.2
287.05524	100.0
288.05865	2.4
294.63055	0.1
433.10825	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	433.1134
Annotation	Kaempferol-3-Rhamnoside
Peak:m/z	Relative Intensity
52.68543	0.2
55.87642	0.2
63.58858	0.2
68.99797	0.8
70.84447	0.4
70.84785	0.4
71.04988	0.4
85.02901	0.5
96.45973	0.2
106.01997	0.2
107.04963	0.3
109.02890	0.3
111.00809	0.8
121.02877	2.9
122.37406	0.2
133.02888	0.4
137.02350	0.5
145.06548	0.2
147.04401	0.6
153.01857	4.0
157.06554	0.3
165.01865	2.0
183.02953	0.7
185.06042	0.4
213.05458	1.5
231.06532	0.7
241.05017	1.0
245.76932	0.2
258.05170	1.1
259.06018	0.3
287.05530	100.0
288.05887	2.1
313.03674	0.2
433.11099	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06224	2.4
52.38778	2.3
59.04999	2.4
67.05492	3.7
69.03442	5.3
69.94001	10.7
71.16940	2.5
73.02927	3.2
79.05492	3.8
81.07061	3.1
81.30506	3.1
83.05000	2.9
85.02905	7.4
91.05491	5.9
93.07044	3.3
95.08620	6.6
98.20834	3.2
103.05480	11.3
105.03426	5.3
105.07021	4.0
107.08653	4.4
109.10138	3.6
116.48262	2.7
119.08596	6.2
121.02895	3.1
121.10106	2.8
125.57193	2.8
129.06998	8.9
131.04947	26.3
131.08618	4.2
133.10118	4.6
137.09760	3.0
141.06949	4.5
142.07819	7.4
147.08067	7.8
149.13237	2.5
153.01840	7.4
157.10146	38.7
157.11356	4.5
159.11734	5.2
161.09639	6.2
165.01846	3.2
173.13167	3.1
175.11238	5.0
187.07619	4.2
189.16382	5.4
199.14780	22.8
217.15883	70.2
256.49841	2.6
271.05975	3.3
285.03439	2.6
287.05521	100.0
288.05841	18.5
433.08963	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	433.1134
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52934	0.2
57.76957	0.2
59.87701	0.2
65.83366	0.2
68.99776	0.9
70.79169	0.4
71.04987	0.5
73.74252	0.2
78.74638	0.2
85.02905	0.3
103.05487	0.2
105.03376	0.3
107.04972	0.6
107.23764	0.2
109.02854	0.4
111.00784	0.7
121.02886	3.2
124.11401	0.2
133.02876	0.7
137.02361	0.9
147.04396	0.6
153.01843	5.6
157.06496	0.5
161.06006	0.2
165.01852	1.8
171.04460	0.3
183.02843	1.1
185.05949	0.6
189.24377	0.2
199.03844	0.2
213.05482	1.7
229.04842	0.2
231.06549	0.8
241.05034	0.9
258.05261	1.4
259.06036	0.4
287.05524	100.0
288.05826	2.1
377.23343	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1133
Annotation	Kaempferol-3-Rhamnoside
Peak:m/z	Relative Intensity
51.94018	0.1
53.03922	0.2
63.78861	0.1
65.07190	0.1
68.99792	0.7
69.41326	1.3
71.04982	0.1
73.12266	0.1
85.02893	0.5
95.04954	0.3
98.21632	0.3
105.03409	0.3
107.04954	0.4
109.02889	0.3
111.00832	0.7
121.02882	3.2
125.04081	0.1
125.06024	0.2
129.07016	0.2
133.02867	0.7
137.02344	1.1
137.91969	0.1
145.06529	0.3
147.04425	0.7
151.07626	0.2
153.01842	4.5
153.05370	0.2
157.06461	0.4
161.05957	0.2
165.01857	2.3
171.04453	0.3
183.02911	1.1
184.00070	0.1
185.06042	0.6
185.08090	0.4
203.07028	0.3
213.05516	1.5
221.24577	0.1
231.06543	0.6
241.04942	0.9
250.42963	0.2
258.05304	1.3
259.06006	0.6
287.05521	100.0
288.05829	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	431.2562
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.5
55.03412	0.9
55.05498	3.1
55.69733	0.8
57.03436	4.5
57.07077	2.0
62.88766	0.9
67.05508	10.6
69.07087	4.1
71.52066	0.9
71.52466	0.9
79.05492	5.7
81.03418	1.6
81.07067	13.5
83.08630	2.7
91.05486	2.8
93.07044	3.7
95.04990	1.2
95.08613	13.5
97.06543	1.6
97.10193	1.5
98.20792	1.0
98.98438	1.0
105.07033	2.0
107.08601	3.5
109.06519	0.9
109.10195	6.4
111.08056	1.1
113.00027	100.0
119.08591	3.4
121.10156	3.3
123.11673	2.9
133.10133	2.2
135.08128	0.9
135.11700	2.3
137.13313	1.8
147.11702	3.2
149.13293	1.2
161.13304	1.4
163.08987	1.0
163.14818	1.0
169.02629	92.7
228.14586	0.9
245.22752	3.2
263.23752	6.6
263.26117	1.1
431.10104	0.9
431.30936	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96556	8.5
57.03431	6.3
58.06601	4.0
59.05007	2.8
61.02935	3.4
62.06095	13.8
63.34110	1.3
69.03430	11.4
69.07047	2.5
70.06590	3.4
71.01362	3.5
71.04972	2.3
71.51782	2.6
72.08154	8.5
73.02914	5.1
73.06549	3.0
79.05502	3.1
80.36266	1.7
81.03407	2.9
84.04503	3.0
84.08154	4.6
84.96025	3.8
85.02908	26.5
86.09715	11.3
87.04476	3.8
91.03964	2.5
91.05473	2.9
91.07598	5.0
93.07021	3.7
95.05029	1.8
97.02897	11.2
98.97591	20.1
99.04438	1.9
103.05478	5.9
107.04955	4.4
109.02890	2.6
110.97581	5.0
113.02338	1.7
116.98617	5.4
119.01887	1.5
119.08649	2.0
120.08112	100.0
121.02907	2.5
121.08451	2.8
124.07606	2.2
126.97113	1.6
127.03914	10.5
128.43417	1.7
128.98615	5.8
129.10234	2.6
131.01901	1.6
131.04947	4.6
136.07573	2.7
137.05945	1.9
138.09145	1.9
140.07100	3.7
144.98180	2.0
145.04958	5.2
147.04399	2.3
149.05934	3.4
153.01768	1.8
158.99663	6.0
161.01286	2.4
163.06039	1.9
166.08643	43.1
167.07120	3.1
170.99657	3.8
177.00668	2.3
179.07130	2.2
182.99593	1.7
189.00665	1.5
191.03894	1.7
192.07651	1.7
202.03174	1.9
219.01808	7.1
227.06790	3.7
237.02840	8.3
242.56618	1.6
249.77010	1.4
252.09785	2.0
252.12274	1.8
260.07355	2.4
267.56711	1.9
275.07770	2.0
287.05496	36.5
289.99966	1.4
313.90985	1.6
343.07156	1.7
354.02051	1.9
372.03232	2.7
433.16824	34.8
453.96835	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.113
Annotation	Unknow
Peak:m/z	Relative Intensity
55.51845	0.2
68.99817	0.5
69.83154	0.3
69.83548	0.6
71.04992	0.5
79.05486	0.2
80.73411	0.3
85.02907	0.3
92.61614	0.2
105.03375	0.4
107.04951	0.4
109.02887	0.3
111.00797	0.8
121.02868	3.0
133.02855	0.8
137.02328	0.9
140.09171	0.2
145.06474	0.4
147.04364	0.6
153.01820	4.6
157.06522	0.6
161.05881	0.3
165.01872	2.0
171.04478	0.3
176.28104	0.2
183.02904	0.7
185.06038	0.4
213.05437	1.7
231.06573	0.7
240.78435	0.2
241.05032	0.8
258.05173	1.2
259.06018	0.5
269.04434	0.3
287.05508	100.0
288.05850	2.3
344.44272	0.2
404.69180	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	10.8
57.03413	9.9
58.08521	7.1
61.18813	7.2
65.78094	6.4
67.05502	15.8
69.00692	6.8
69.03429	23.1
69.07070	7.8
70.06621	13.2
71.04997	12.0
71.35617	13.9
72.08154	31.9
79.05502	10.9
81.03413	18.1
81.07048	15.8
84.04488	11.3
85.02903	40.1
86.09225	9.7
86.09714	100.0
88.04836	6.9
89.06035	23.7
91.05489	15.5
93.07043	15.5
95.08559	9.9
96.08150	8.3
97.02892	15.8
97.06570	8.2
99.04421	6.7
105.07024	24.2
107.04990	7.9
107.08601	16.9
109.10173	18.6
110.09646	8.8
115.03960	12.4
119.08590	19.6
121.02940	6.8
121.10175	7.2
123.08123	9.0
127.03870	10.4
129.07002	12.4
129.16893	6.7
131.08589	15.3
133.04999	16.5
133.10155	15.6
135.08026	8.4
135.11687	9.0
136.07513	6.8
137.75272	6.3
138.09198	9.1
143.08565	14.2
145.10152	18.5
147.08076	12.3
147.11664	10.5
149.13316	9.1
157.10112	24.8
157.13380	9.4
159.08102	11.1
163.11247	9.2
166.08640	20.4
173.09636	10.0
173.13347	11.1
175.11165	8.8
187.14833	16.5
189.12624	9.2
190.68457	7.1
197.13226	11.3
215.14304	28.9
233.15384	75.9
247.12917	14.2
251.16463	19.3
269.17514	15.6
272.52783	6.3
287.05478	33.3
413.17331	10.9
431.17590	14.6
431.23181	51.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.3799
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	0.5
57.07076	2.8
57.20082	0.6
58.00137	0.5
62.95577	0.6
65.67473	0.5
67.05515	2.9
69.07066	0.9
70.76791	1.7
71.08614	2.1
72.08969	0.8
81.07054	1.4
85.10165	1.1
91.05479	1.3
93.07032	1.9
95.08596	1.2
95.10772	0.5
105.07021	0.6
107.08572	0.8
109.10149	5.3
110.10463	0.6
117.07037	0.6
119.08560	3.5
121.06512	12.5
121.10119	0.6
122.07294	2.0
135.08087	1.5
136.08847	13.2
137.09624	14.2
141.67230	0.6
149.09657	3.3
150.09906	0.8
151.07530	1.1
152.08292	0.6
159.11617	0.5
161.09639	0.5
163.07690	0.5
163.11194	1.7
164.08344	30.3
164.11415	1.3
165.09126	100.0
166.09460	7.8
173.09563	0.5
177.09135	2.0
177.12654	0.8
184.40709	0.6
187.11205	0.8
190.09882	1.3
191.10686	2.1
192.10922	1.1
205.12268	7.6
208.09712	0.5
219.13821	1.0
268.07104	0.5
375.49399	0.5
430.38058	60.9
431.38492	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	431.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	9.5
55.01871	7.9
55.05518	18.1
57.03438	28.0
57.07072	3.0
61.02935	45.4
65.03968	3.4
67.05145	3.2
67.05511	67.6
69.03435	34.4
69.07074	28.9
70.06616	3.5
71.01350	2.8
71.04995	7.2
71.51031	3.5
73.02925	23.7
79.05498	39.4
81.03425	26.1
81.07064	100.0
83.04987	16.4
83.08643	16.6
84.25587	2.7
85.02436	4.1
85.02915	51.7
85.06552	7.6
85.57850	2.7
91.03984	30.0
91.05478	27.6
93.07056	75.3
95.04970	10.5
95.08614	35.2
97.02913	41.3
97.06552	15.3
97.10173	2.9
99.04471	12.4
99.08099	7.4
101.02390	11.0
103.03952	6.5
103.05466	3.0
105.03417	2.5
105.07048	21.0
107.08605	44.8
109.02904	17.0
109.06520	9.6
109.10166	12.8
111.04455	3.4
111.08101	10.7
115.03957	2.9
117.07026	11.9
117.45067	2.7
119.08588	13.7
121.02905	4.9
121.06475	5.3
121.10162	34.3
123.08076	3.7
123.11716	12.3
125.05959	2.5
125.09644	5.0
127.03928	25.7
129.05492	7.8
129.07013	3.8
131.04968	6.1
131.08542	15.8
133.10121	16.2
135.08055	7.1
135.11705	20.9
137.05989	6.6
142.07831	3.9
143.08502	2.9
145.04974	6.4
145.10173	8.2
147.11684	8.6
149.08392	2.7
149.09610	5.8
149.13268	63.5
151.07553	6.6
151.11131	3.6
153.09213	3.0
157.10124	3.9
159.11702	29.7
161.09593	2.9
161.13309	6.4
165.09126	5.8
165.12822	3.6
171.11749	3.6
173.13322	4.2
175.11072	2.7
177.09204	4.6
177.12733	15.5
183.06548	6.2
189.12836	3.6
195.13826	36.2
201.16208	2.7
203.10736	3.1
205.12115	2.9
213.14940	3.9
268.21725	2.4
269.17502	73.5
287.05579	5.5
297.16898	5.4
311.18527	6.6
369.62479	3.1
413.22089	4.7
431.14334	3.5
431.22897	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	430.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	12.8
56.96560	34.0
57.03449	24.0
58.06610	21.2
62.06095	85.3
62.71349	12.1
64.27686	10.8
66.97003	10.9
69.03425	46.8
70.06602	23.9
71.01366	16.2
71.50080	11.5
72.08161	28.7
73.02928	11.9
73.04749	18.6
81.03418	22.0
84.04509	15.2
84.08150	25.2
85.02901	100.0
88.78770	10.9
91.05817	27.3
97.02889	45.9
98.97591	65.2
105.07027	20.4
109.02883	13.5
110.97536	21.4
113.02386	13.0
116.98633	21.4
127.03927	21.1
136.06206	43.0
136.07460	17.4
137.06015	28.3
167.05531	14.8
167.07016	12.6
177.05434	16.9
180.65295	12.9
181.41336	12.3
219.01816	28.5
237.02879	19.3
268.11768	50.1
290.05243	15.1
295.13242	14.3
360.02917	23.2
376.58853	14.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.8
55.01870	2.4
55.05510	5.9
57.07061	3.0
64.96789	1.8
67.05503	9.0
69.03428	6.0
69.07072	8.1
69.74988	4.6
69.75392	9.3
70.06604	2.2
71.04988	3.3
72.46442	1.9
79.05504	8.9
81.03450	2.9
81.07057	19.7
83.04962	3.1
83.08627	3.0
85.02906	6.8
88.01276	1.8
89.29664	1.9
91.05488	14.9
93.07056	26.3
95.05001	3.0
95.08622	19.7
95.87234	1.9
97.02895	4.5
98.20760	3.5
103.05469	5.5
105.07039	37.0
107.08601	17.8
109.06517	2.8
109.10078	3.7
111.08086	3.7
113.96288	2.5
117.07021	8.0
119.08584	36.6
120.08971	1.9
121.06555	4.2
121.10132	6.4
123.08055	2.7
123.11773	2.9
130.07826	2.6
131.04919	4.8
131.08586	22.7
133.10146	13.2
135.11696	5.5
139.07552	5.3
143.08586	5.9
144.09349	3.9
145.10136	84.5
147.08015	3.3
147.11705	26.4
151.07491	3.2
156.09386	3.0
157.10176	8.5
158.10944	3.2
159.08095	4.3
159.11708	46.7
161.13248	2.9
163.07533	3.3
163.11238	3.3
164.11568	2.4
165.09157	6.2
172.12450	5.6
173.09669	5.2
173.13298	3.9
175.11201	2.3
177.09184	3.9
182.10907	2.5
187.14847	100.0
189.16444	6.8
191.10681	2.8
197.13309	9.7
200.11862	2.3
205.12285	2.7
205.15965	9.1
215.14305	20.0
216.74153	2.0
233.15393	52.4
349.14688	2.2
392.58792	2.7
398.08224	2.2
417.54681	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	8.5
53.21182	1.1
55.01879	10.2
55.05506	1.9
56.11404	1.2
57.03448	7.2
60.04533	1.6
61.02942	6.1
61.03194	1.4
67.05502	2.1
68.99773	1.9
69.03085	2.2
69.03438	32.7
70.71933	4.1
71.01395	1.2
71.04987	6.1
73.02927	11.7
79.05508	2.2
81.03429	31.9
81.07049	2.9
85.02917	100.0
87.00845	31.8
87.04453	1.8
91.03953	3.4
91.05452	1.2
95.04967	2.2
95.08607	2.2
97.02909	40.1
99.04461	17.3
105.01882	33.1
105.07049	2.5
107.08612	3.2
107.51907	1.2
108.04488	12.2
109.02898	38.7
109.10179	2.0
110.66932	1.3
117.01864	4.7
126.05536	5.9
127.03938	78.7
129.01866	3.6
131.04926	2.9
131.08609	1.7
132.05319	1.7
133.10106	1.2
137.05974	3.2
144.06598	1.7
145.04982	39.9
145.10120	2.1
147.02917	6.0
159.02908	28.7
165.09166	2.1
177.03931	1.8
181.57092	1.2
189.09148	4.0
205.15724	1.5
213.03925	3.4
225.06680	1.6
230.06686	3.6
231.05045	14.1
231.10008	3.3
233.15468	3.0
248.07777	3.1
250.25447	1.8
273.11185	2.7
287.05594	3.6
295.07330	2.0
348.29584	1.4
412.14847	1.6
430.16171	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.3734
Annotation	alpha-Tocomonoenol
Peak:m/z	Relative Intensity
54.59386	0.6
55.05516	3.1
56.64182	0.5
57.07085	17.0
58.16301	0.6
61.95606	0.6
67.05512	4.9
69.07079	3.7
69.74535	0.6
69.81477	3.6
71.08643	13.4
76.61885	0.5
79.05481	2.2
81.07069	7.3
83.04992	0.6
83.08643	3.5
83.52972	0.7
85.10199	5.4
91.05489	2.2
93.07042	2.6
95.08626	6.7
97.10181	1.8
98.20698	0.8
105.07038	1.6
107.08611	5.7
109.10172	6.4
111.04508	0.8
111.11726	1.1
117.07010	0.8
119.08566	3.9
121.06522	1.1
121.10165	5.0
122.07298	1.4
123.08087	1.3
123.11702	1.1
125.05965	0.8
125.13278	0.9
131.08595	2.6
133.10132	2.0
135.08049	5.7
135.11723	1.6
137.09633	10.6
139.07594	2.0
143.08574	0.8
144.09349	0.8
145.10194	3.2
147.11688	0.7
149.09648	13.5
151.07582	1.7
159.11707	2.7
160.08813	0.8
161.09683	1.5
162.06760	1.5
163.11206	21.2
165.09137	100.0
166.09410	1.4
173.09665	1.6
173.13350	1.8
175.07526	1.1
175.11191	6.5
176.08316	1.6
177.09113	10.7
177.12790	2.4
179.10707	1.8
186.10426	1.3
187.11183	3.8
189.09140	0.8
189.12746	1.5
190.09973	1.2
191.10692	11.7
193.12260	0.8
200.12061	0.8
201.12846	2.0
203.10704	1.7
203.14432	0.9
205.12273	9.2
215.14330	1.6
219.13809	5.2
233.15425	2.2
247.17093	0.8
261.18665	1.1
275.20102	1.3
289.21860	1.0
303.23236	1.6
313.92499	0.6
317.24686	1.2
331.26422	1.5
345.27893	1.2
359.29556	0.8
373.31119	0.9
383.36633	0.8
401.34119	2.7
411.36304	1.8
429.37329	35.8
430.37936	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.3729
Annotation	alpha-Tocomonoenol
Peak:m/z	Relative Intensity
55.05500	2.0
57.07079	4.4
57.13340	0.5
61.02375	0.4
67.05510	3.8
69.07081	3.2
70.90853	1.0
71.08637	3.0
74.16730	0.4
79.05476	1.5
80.79517	0.4
81.07064	4.6
83.04996	0.5
83.08630	1.9
85.10176	1.3
88.22202	0.5
91.05480	0.8
93.07042	1.6
95.08608	5.5
97.10184	1.2
105.07034	0.8
107.08593	1.1
109.10155	7.5
111.11713	1.0
119.08572	2.0
121.06493	0.5
121.10159	1.3
122.07308	1.3
123.08041	0.6
123.11681	2.9
125.05981	2.0
131.08566	0.4
135.08032	1.3
135.11713	0.6
137.09627	8.6
137.13246	1.1
145.10114	1.3
149.09636	5.7
149.13261	0.6
151.07544	1.5
151.14854	0.7
156.97240	0.5
159.11699	1.8
163.11171	2.8
163.14911	0.5
164.08295	0.8
165.09119	100.0
166.09424	1.3
172.08943	0.8
173.09618	1.7
175.07564	0.7
175.11215	0.8
176.08337	1.3
177.09129	4.1
177.12804	0.9
179.10658	1.8
187.11159	2.5
189.09071	0.6
190.09918	2.9
191.10683	4.4
203.10661	0.8
204.11249	0.7
205.12250	20.2
205.14215	1.0
219.13824	0.6
380.01410	0.6
401.34335	0.6
413.85388	0.5
429.31866	0.8
429.37265	10.2
430.37878	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2616
Annotation	Graviphane
Peak:m/z	Relative Intensity
61.89436	0.9
63.08326	0.9
67.05502	4.5
69.07056	4.5
69.39367	4.7
69.39789	3.6
71.08633	1.4
81.07060	7.6
83.08599	1.4
91.05455	1.7
93.07049	3.8
95.08620	10.4
105.07037	2.1
107.08580	6.0
109.10155	6.7
119.08578	3.3
121.10142	5.9
123.08064	1.1
123.11695	3.8
133.10104	3.2
135.08083	1.2
135.11690	3.7
137.13264	2.0
145.10132	2.5
147.11719	2.1
157.10088	1.2
159.11661	1.3
163.14751	1.2
165.09134	1.9
169.12100	1.3
173.13316	1.3
177.09047	1.2
187.14764	1.1
189.01607	3.1
211.70091	1.1
278.61099	1.0
301.14200	3.3
317.13596	9.2
344.37173	1.0
411.32492	2.3
429.16858	3.6
429.26147	100.0
429.32755	7.7
430.26563	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	429.3736
Annotation	alpha-Tocomonoenol
Peak:m/z	Relative Intensity
55.05509	3.1
57.03445	0.7
57.07084	19.2
67.05522	5.5
69.07068	4.4
69.52010	0.6
69.52352	5.0
71.08298	0.9
71.08643	12.5
79.05488	2.5
81.07075	8.1
83.08620	2.1
85.10191	5.3
91.05495	3.4
93.07047	2.9
95.08621	8.8
97.10179	2.4
98.67299	0.8
105.07030	2.8
107.08598	6.3
109.06531	0.6
109.10171	7.5
111.04448	1.5
111.11757	1.0
117.07076	1.0
119.08613	4.0
121.06525	1.2
121.10157	3.9
123.08052	1.2
123.11715	2.6
131.08603	2.4
133.10147	1.6
135.08078	5.9
135.11700	2.3
137.09634	11.8
139.07567	2.3
145.10167	2.3
147.11742	1.1
149.09637	14.7
149.13295	1.2
151.07576	1.2
159.08115	1.2
159.11684	3.5
162.06808	1.6
163.11206	18.8
165.09140	100.0
166.09462	1.0
173.09653	2.6
173.13300	2.3
175.07602	1.1
175.11180	5.3
176.08340	2.1
177.09134	10.7
177.12819	1.8
179.10703	1.4
187.11205	3.0
189.09143	1.4
189.12755	1.7
190.09795	0.8
191.10724	11.7
201.12823	2.7
203.10713	1.8
203.14377	1.2
204.11404	1.5
205.12279	9.9
215.14310	1.6
219.13858	5.3
233.15398	3.1
247.16864	1.4
261.18634	1.3
275.20090	1.3
280.57077	0.9
289.21558	1.8
303.23257	1.7
317.24829	1.7
359.29550	0.9
373.30988	1.0
383.36819	1.1
401.34152	2.3
411.35852	1.9
429.37363	40.3
430.37900	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2109
Annotation	Sphaeranthanolide
Peak:m/z	Relative Intensity
53.03930	0.7
55.01900	0.8
55.23713	0.7
57.03415	1.1
61.02913	0.8
62.65891	0.7
69.03440	2.2
70.06592	1.4
70.62200	0.8
71.51177	1.3
72.08161	2.0
73.02937	1.0
75.41114	0.9
81.07071	1.0
83.05006	1.1
85.02924	2.5
91.05498	2.4
93.07021	2.3
95.04996	0.7
95.08617	1.1
97.02895	1.7
99.04462	1.2
101.07088	0.7
105.07038	2.9
107.08598	2.0
109.06536	1.3
113.59583	0.7
119.08622	2.1
121.10158	1.0
125.09706	1.6
127.03945	1.1
131.08594	2.0
137.05965	0.9
145.10191	1.9
159.08073	1.7
161.09607	3.7
161.13235	1.1
163.11230	1.8
171.08003	0.9
175.11218	1.6
177.05487	0.9
177.09140	2.8
185.13185	1.3
187.14494	1.2
189.09096	1.8
201.05482	4.7
215.13870	1.5
216.14880	0.7
221.11749	1.2
231.13855	1.6
249.11266	5.5
249.14906	2.6
267.12427	2.0
267.15985	6.7
385.18448	0.9
429.21066	100.0
430.21387	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2123
Annotation	Sphaeranthanolide
Peak:m/z	Relative Intensity
53.03948	2.3
55.01875	5.3
55.05499	2.6
57.03441	10.5
61.02924	2.9
61.55977	1.5
67.05514	2.3
69.03449	12.9
70.06609	8.2
70.47736	3.8
71.01352	3.0
71.05014	2.0
72.08171	4.4
73.02907	3.8
73.04767	3.1
79.05515	4.7
81.03419	6.0
81.07065	3.2
83.01374	3.0
83.04999	3.3
85.02916	43.5
91.05492	6.6
93.07048	5.6
95.01315	3.2
95.04987	3.2
96.88864	1.5
97.02904	13.6
99.04485	3.0
101.02403	2.8
105.07053	8.0
107.04975	3.9
107.08615	5.3
109.06554	3.2
113.02403	7.8
115.05507	1.8
117.07030	4.1
119.04966	2.5
119.08585	9.1
121.06556	4.7
122.51449	2.0
123.04452	1.7
127.03972	3.9
129.07045	3.8
131.04942	2.1
131.08595	19.3
133.10143	3.4
135.08084	5.6
137.06030	2.3
141.06976	2.4
142.07785	2.2
143.08575	7.0
145.10170	5.4
147.08069	38.4
147.11772	5.3
149.09637	16.2
157.10175	3.9
159.08063	30.5
159.11708	21.8
161.09660	6.6
161.13295	7.4
161.59657	1.9
165.09181	2.0
166.97296	2.0
167.05560	2.9
167.06976	2.1
171.11752	6.4
173.09663	5.1
175.11256	2.4
177.09131	9.4
177.12755	19.7
179.08243	4.0
183.11732	2.9
184.35957	1.9
185.13306	9.9
189.12799	10.5
195.03125	2.1
195.10176	31.1
201.05428	3.0
201.12746	19.3
201.14285	1.9
203.14230	2.5
207.13857	5.2
213.12837	6.7
217.11871	2.8
219.13826	16.0
225.04208	2.8
231.13818	17.7
249.12482	3.1
249.14867	58.7
267.13470	6.9
267.15964	100.0
268.16437	2.1
269.02979	2.8
271.04791	1.9
359.02936	3.3
429.07272	4.6
429.13812	7.5
429.21115	67.2
441.76038	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	1.5
51.67398	0.5
53.03752	0.6
53.03957	7.6
54.87763	0.5
55.01884	0.8
55.05508	1.4
59.83574	0.5
60.53100	0.5
67.05489	0.7
77.03935	1.7
79.05496	1.0
81.03432	1.0
81.07066	1.7
83.04996	9.6
91.05458	3.9
93.07051	1.0
93.51414	0.5
95.04986	8.2
95.08614	2.0
95.34320	0.5
98.20792	1.0
105.03407	100.0
105.04549	4.5
105.07026	4.1
106.03723	0.9
107.08613	1.3
111.08094	0.7
117.07027	2.0
119.08601	3.4
121.06533	0.6
121.10155	0.7
123.04561	0.5
128.06238	1.6
129.07065	0.7
131.08585	2.3
133.06451	0.9
133.10176	1.7
135.08041	0.9
137.09602	0.7
139.07535	0.8
143.08572	2.5
145.10126	1.6
146.07256	1.1
147.08052	5.7
147.11604	0.5
149.02354	2.8
157.10126	0.7
158.11003	0.5
159.08092	1.5
161.09639	14.7
163.07594	1.1
163.11223	0.6
165.09175	1.7
171.08104	1.6
171.11691	0.7
173.09721	0.7
173.13301	1.7
175.14775	0.5
177.09126	0.7
183.11810	0.9
186.10402	0.5
189.09135	4.4
191.14302	0.6
193.05016	2.1
201.12749	4.9
207.10135	2.4
213.12837	0.5
219.13936	1.2
229.12201	3.1
247.13385	2.0
249.11223	0.6
385.08905	0.7
429.11841	2.1
429.30511	0.7
450.30035	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1909
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	6.4
54.80374	2.2
55.01833	3.2
55.05499	4.5
60.99269	2.3
67.05508	3.2
67.10640	2.1
69.03430	2.4
71.03801	5.1
79.05497	4.1
81.07059	8.4
83.04990	18.9
85.63106	2.3
86.29041	2.2
91.05469	5.0
93.07048	5.0
95.04980	9.2
95.08566	2.9
105.03398	100.0
105.04486	4.1
105.07024	8.0
107.08595	13.1
109.02884	3.2
111.04391	2.4
119.04982	3.9
119.08567	10.5
121.10112	3.7
123.11702	2.5
127.03894	6.1
131.08557	6.8
133.10130	4.0
135.08083	3.2
141.05467	9.5
143.08513	4.0
145.10190	2.7
147.08061	7.1
149.02322	26.1
151.07458	2.9
155.08617	2.9
157.10170	3.5
159.11732	3.2
165.05467	2.7
165.09081	2.6
173.13231	4.0
182.81577	2.2
183.45526	2.5
193.04987	19.5
193.08583	11.8
201.09132	3.0
201.12727	16.4
217.12291	8.3
219.13701	3.0
219.38834	2.3
229.12273	22.3
237.07588	6.3
247.13336	15.9
302.29562	2.3
341.06735	2.7
359.03079	3.0
359.07465	2.6
369.17099	3.2
385.09189	8.3
429.11789	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	428.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.7
55.01874	2.4
55.05522	5.8
57.03429	3.2
57.07083	8.7
61.02935	2.4
67.05514	1.4
69.03443	11.1
70.28728	1.0
71.04998	1.9
71.41301	1.9
73.02925	3.4
76.75135	1.1
79.05486	1.3
81.03426	10.8
81.07084	2.3
83.04970	1.3
83.08624	4.0
85.02912	33.9
85.06540	1.9
87.00826	13.4
89.06040	28.8
91.03944	1.6
91.05468	1.4
93.06965	1.1
95.04983	2.2
95.08589	1.8
95.24225	1.2
97.02892	12.3
99.04465	5.5
99.08102	1.7
101.09666	11.9
105.01862	10.1
105.03439	1.6
107.04931	1.6
107.07076	28.5
109.02896	11.3
119.08569	1.2
120.08175	1.4
127.03932	17.3
129.01819	1.2
136.16483	1.2
145.04973	8.5
145.10027	1.1
145.12286	1.4
147.02963	1.4
159.02919	7.3
163.13306	100.0
164.13680	2.1
190.05138	1.0
197.60869	1.1
207.13651	1.5
213.03955	1.6
225.39717	1.0
231.05058	3.7
237.96594	1.5
248.10753	4.9
266.11826	1.4
341.72772	1.3
357.17023	1.2
370.77292	1.1
428.17679	4.3
429.21161	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	429.1511
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93693	0.3
56.96568	1.8
57.03439	0.8
61.02911	0.7
63.38421	0.3
67.05504	1.8
69.03413	1.4
70.17213	1.1
71.01349	0.5
73.04750	0.4
73.06562	0.4
79.05511	0.6
81.03435	0.7
84.08129	0.4
84.46439	0.3
84.96047	0.9
85.02911	2.3
87.04475	0.5
94.06577	6.2
97.02895	1.9
98.21357	0.4
98.97594	6.6
100.03976	1.4
106.06547	2.7
110.97574	2.1
116.98616	1.0
118.05004	1.0
122.06048	5.1
124.99063	0.4
127.03942	0.9
128.98634	1.8
129.01918	0.3
140.98627	0.4
143.00157	1.0
144.98079	0.4
145.05003	1.0
147.03264	0.4
150.05515	100.0
151.05876	1.1
155.04674	0.8
156.98119	0.4
158.99641	1.9
161.02927	0.4
168.06544	1.2
170.99673	0.8
171.03419	0.4
173.03015	0.5
176.03363	0.5
177.00708	0.4
179.32927	0.4
189.00754	0.4
201.00809	0.6
215.55588	0.5
219.01772	1.7
227.02115	0.4
227.06879	0.4
233.06772	0.4
237.02831	1.2
239.04401	0.4
255.54787	0.4
267.09790	18.9
291.07565	0.6
300.09097	0.4
303.10480	0.5
309.08649	1.2
339.01776	0.7
387.05872	0.4
429.14038	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20886	5.8
54.11344	5.6
55.05492	7.2
57.03436	30.7
59.04990	9.8
61.02909	5.7
64.66227	6.1
67.05507	11.5
69.03418	27.2
69.48765	49.2
71.04985	6.5
71.88281	6.1
73.02918	5.5
75.04478	15.7
79.05502	9.1
81.03416	12.1
83.04991	45.7
85.02910	85.3
93.07053	8.2
95.48627	5.9
97.02902	21.5
97.06539	31.0
98.97558	11.0
99.04449	10.8
101.06030	9.1
103.98579	5.8
104.45789	5.4
107.04998	6.9
109.02854	10.2
111.04442	63.8
119.04969	32.3
121.06493	11.5
123.04440	12.3
125.05994	48.6
127.03926	19.0
129.05478	18.4
134.03389	5.7
136.06192	11.7
139.03920	11.6
143.07068	48.4
145.04988	18.2
149.05981	30.9
153.43880	6.6
159.06557	13.3
167.07069	51.1
185.08049	29.8
199.09663	40.6
217.10719	100.0
219.43834	6.3
228.66466	7.4
231.00360	6.1
239.47235	6.3
249.13339	21.3
444.11575	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	427.394
Annotation	(13E,17E)-Polypoda-7,13,17,21-tetraen-3beta-ol
Peak:m/z	Relative Intensity
55.05512	27.1
55.05970	3.3
57.07061	12.5
64.96296	2.5
65.03932	3.4
67.05511	39.8
69.07070	54.7
71.05003	14.6
71.08610	4.1
71.37579	4.8
72.48322	3.2
79.05499	23.1
81.06596	5.0
81.07060	92.6
83.04967	4.2
83.08633	24.7
85.10198	3.3
91.05474	11.3
93.07043	44.2
95.08612	100.0
97.10144	11.0
99.08087	5.4
105.07037	23.9
107.08597	60.6
109.10159	83.2
110.55472	2.8
111.11713	8.4
119.08602	21.0
121.09366	3.0
121.10164	53.5
123.11707	44.2
125.13311	3.4
127.11197	10.5
127.65500	2.7
131.08510	3.3
133.10133	19.3
135.11719	38.3
137.13251	26.9
145.10129	5.9
147.11641	17.4
149.09654	3.6
149.13251	44.4
151.14807	7.3
153.12733	7.2
159.11694	7.6
161.13225	22.4
163.11261	3.6
163.14845	27.2
165.09155	25.8
165.16385	4.6
167.14368	3.7
171.11688	4.3
173.13261	5.9
175.14822	14.2
177.09032	3.6
177.12799	3.1
177.16393	21.6
179.17946	3.0
179.75647	3.0
189.09116	6.4
189.16397	7.7
191.17938	15.0
203.10643	20.3
203.17955	10.1
205.19533	8.6
215.17999	5.1
217.19516	10.7
217.87399	3.0
219.21140	5.3
231.21136	14.7
235.17029	3.6
245.22708	6.3
254.15363	2.8
259.24200	6.7
271.24316	4.1
287.27466	4.2
341.31827	3.5
345.31619	3.5
349.44574	3.1
427.35156	18.8
427.39359	32.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64484	1.0
53.03953	1.2
55.01884	3.2
55.05515	2.0
57.03448	8.0
61.02934	9.0
67.05512	1.4
69.03442	16.4
69.07074	8.3
69.86049	4.9
70.06615	1.8
71.04996	2.8
72.08142	1.2
73.02911	4.8
79.05506	1.5
81.03420	7.5
81.07059	3.9
83.05012	2.4
84.08122	1.1
85.02915	100.0
85.06564	1.1
87.04444	1.8
91.03954	4.2
91.05482	2.9
93.07052	4.1
95.08651	1.3
97.02905	24.7
97.06533	2.3
99.04472	3.7
99.08086	1.4
101.06006	1.1
103.03944	2.0
105.07049	2.8
109.02888	8.7
109.06487	1.1
111.04449	2.6
111.08099	3.7
115.03941	2.1
117.07053	1.0
119.04977	2.6
119.08586	2.0
121.02888	1.1
121.06544	2.0
123.04448	1.8
123.08089	1.0
125.05991	2.3
127.03926	24.3
131.08551	2.0
135.08096	1.4
136.07552	1.1
137.09627	1.2
139.03944	5.2
140.04210	1.6
143.07083	1.9
145.04976	47.8
149.06041	2.4
150.07706	1.3
153.09116	2.0
159.06702	1.3
163.03957	1.4
163.06041	29.2
164.07147	1.0
165.09108	1.5
167.07080	3.7
177.09082	2.4
183.10126	1.7
185.08128	3.5
195.10222	4.3
199.09679	4.1
208.46208	1.0
213.11276	4.4
217.10719	2.9
225.71239	0.9
231.12254	1.4
245.36275	1.1
260.06403	1.2
276.05850	1.1
288.05865	1.7
314.82617	1.1
319.13538	1.0
325.11389	1.7
378.54858	1.0
410.09665	1.9
428.19583	4.6
429.20734	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.3939
Annotation	(13E,17E)-Polypoda-7,13,17,21-tetraen-3beta-ol
Peak:m/z	Relative Intensity
55.05516	22.0
57.07066	5.7
61.67519	2.2
67.05508	30.9
69.07070	40.3
71.04982	7.7
71.08620	2.6
79.05494	13.3
81.07062	55.3
83.08620	19.4
83.36165	2.5
85.06550	44.4
91.05476	9.1
93.07043	28.4
95.08613	89.0
97.06522	5.2
97.10169	13.8
105.07023	13.7
107.08597	40.7
109.10164	100.0
111.11710	11.2
113.09616	4.2
116.52955	2.2
119.08591	13.8
121.10147	35.1
123.11713	30.1
125.09557	2.2
129.56288	2.2
129.57806	2.5
133.10123	11.7
135.11703	28.6
137.13260	15.6
139.11212	3.1
145.10141	2.5
147.11655	15.2
149.13315	16.0
153.12778	2.7
161.13260	8.8
163.14830	11.8
165.09155	6.7
173.13266	2.7
175.14825	9.2
177.16434	5.2
189.16353	8.0
191.17950	15.4
203.10721	4.5
203.17879	14.1
205.19543	21.2
209.18936	3.7
217.19536	12.3
219.21176	4.8
221.19044	10.4
231.21066	6.6
235.20523	5.7
245.22591	7.1
257.22672	3.7
259.24176	3.1
285.25980	2.8
287.27304	3.1
299.27216	3.6
313.28845	4.7
327.30692	2.3
357.31653	3.8
393.47495	2.5
409.38528	4.0
427.39722	36.6
428.39822	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	427.3938
Annotation	(13E,17E)-Polypoda-7,13,17,21-tetraen-3beta-ol
Peak:m/z	Relative Intensity
51.41707	1.7
55.05518	9.8
57.07072	9.1
59.81449	2.2
67.05505	27.2
69.07067	20.1
69.56787	10.4
71.08629	3.5
79.05495	9.1
81.06593	3.6
81.07059	57.5
83.08633	10.7
87.04478	2.5
91.05487	5.3
93.07041	24.2
93.07624	2.3
93.31547	1.7
95.04973	2.4
95.08612	100.0
96.08968	2.4
97.10166	5.5
105.07054	12.6
107.08598	35.4
108.31600	1.7
109.10162	78.2
111.11739	5.9
118.59767	1.5
119.08584	17.1
121.10145	30.4
123.11706	28.2
125.09590	2.4
131.08582	2.2
131.52776	1.6
132.72369	1.5
133.10120	8.8
135.11705	19.8
137.13258	32.9
145.10127	4.1
147.11702	9.9
149.13261	14.2
151.14821	4.0
157.10091	2.7
159.11684	4.3
161.13257	14.3
163.14838	14.2
165.12762	3.4
173.13216	2.5
175.14867	6.0
177.16397	6.5
179.14310	7.1
179.17937	2.0
182.77876	1.7
187.14854	4.8
189.16397	9.4
191.17979	13.5
193.19518	3.1
201.16483	2.3
203.17999	7.9
205.19531	13.8
207.17485	3.7
215.17801	1.9
217.19525	6.4
219.21063	5.2
229.19598	3.8
231.21092	5.1
236.19376	1.8
243.21071	2.4
257.22546	2.0
259.24094	2.7
271.24115	2.2
285.25778	1.9
391.34253	1.9
409.38354	10.8
427.31442	4.1
427.40100	19.3
427.45291	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.3579
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	16.2
57.07086	11.6
65.31053	1.6
67.05504	12.6
69.07078	32.0
71.08624	4.4
71.52332	2.1
74.55457	1.5
75.24239	1.6
79.05504	8.6
81.07072	26.9
83.08628	18.7
85.06540	2.5
85.10178	3.1
86.39738	1.6
87.00365	1.9
91.05480	7.6
93.07060	16.1
95.08617	40.2
97.10194	10.0
105.07069	8.7
107.08624	18.2
108.08865	2.0
109.10176	21.9
111.08064	2.7
111.11723	6.4
119.08591	16.8
121.10162	17.5
121.40912	1.9
123.08077	1.9
123.11703	12.8
125.13268	2.2
131.08543	3.7
133.10159	11.3
135.08060	6.1
135.11694	11.6
137.09627	11.8
137.13260	11.6
140.84117	1.8
145.10098	5.3
147.11705	8.1
147.42697	1.8
149.09656	12.6
149.13272	9.4
159.11684	6.3
161.09550	3.2
161.13264	7.9
163.11185	5.0
163.14838	7.1
165.09137	100.0
166.09523	2.0
171.11658	2.5
173.13278	7.5
175.07649	3.7
175.11183	2.4
175.14847	5.1
177.09129	5.8
177.12733	2.5
177.16429	2.9
179.10707	2.9
185.13318	3.1
187.14854	5.5
189.09140	4.6
189.16362	4.5
191.10701	6.3
191.17975	3.2
201.16473	3.7
203.10689	8.0
203.17865	1.8
203.48453	1.7
205.12247	14.1
205.19556	3.1
215.18004	5.1
216.11562	1.9
217.12224	2.8
219.13940	2.8
219.17569	3.1
229.19548	4.9
231.13840	2.6
241.19501	4.2
245.15358	1.9
309.15387	1.7
311.27853	2.2
396.84033	1.9
409.33783	3.0
409.38983	11.1
427.35156	28.9
427.40491	3.4
428.35953	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.3575
Annotation	HMDB12167
Peak:m/z	Relative Intensity
55.05513	13.8
57.07082	15.1
62.68994	2.0
64.48985	1.4
65.03951	1.8
65.24390	1.6
67.05231	1.7
67.05503	19.2
69.03423	2.0
69.06744	2.1
69.07076	34.1
71.05000	3.1
71.08636	9.4
79.05492	13.4
81.07059	44.1
82.28020	1.7
83.04966	2.7
83.08624	16.0
85.06523	3.5
85.10175	4.4
86.09694	2.1
91.05484	11.9
93.07048	25.6
95.04943	2.4
95.08614	63.2
95.80293	1.6
96.08949	2.8
97.06545	2.5
97.10183	9.0
99.78076	1.9
102.67301	1.7
105.07037	28.0
107.07985	3.0
107.08612	34.6
109.06509	2.9
109.10162	43.0
111.08062	2.6
111.11707	7.8
117.06999	3.9
119.08583	23.8
121.06483	3.3
121.10156	26.0
123.08089	4.2
123.11690	19.2
124.14328	1.7
129.07034	2.8
131.08589	12.0
132.35118	1.8
133.10149	20.7
135.08031	3.6
135.11694	17.0
137.09627	4.5
137.13286	12.0
139.07553	3.4
143.08582	5.5
145.10095	18.2
147.08093	2.7
147.11714	14.1
149.09608	4.9
149.13295	15.3
151.07570	3.1
155.08554	2.4
155.10675	2.9
157.10176	8.6
159.07971	1.9
159.11700	13.4
161.13242	9.9
163.07472	3.3
163.14867	9.6
165.09126	20.9
169.10207	2.1
171.11674	5.4
173.13313	8.8
175.11116	2.4
175.14835	6.5
177.16331	5.7
178.19040	2.5
185.13217	4.6
187.14764	7.3
189.16382	7.7
191.10696	4.2
191.17949	7.4
193.12170	2.2
197.13211	3.1
199.14848	4.6
201.12656	1.9
201.16423	4.3
203.10657	3.5
203.14281	2.2
203.17906	4.6
205.12198	5.6
205.19522	4.9
207.14023	2.3
209.15424	3.1
213.16354	2.5
215.17955	2.8
217.19583	2.6
219.13950	2.6
219.17470	2.5
221.15421	2.2
227.18033	3.6
229.19522	2.3
231.13795	3.0
231.21101	3.9
233.15305	3.7
241.19527	2.7
245.15271	4.3
255.17429	2.1
273.18451	2.1
273.25754	2.2
284.30164	1.9
287.20020	4.0
325.28836	4.8
367.33618	4.6
391.33411	3.9
409.34448	18.2
427.35654	100.0
428.36002	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1577
Annotation	Unknow
Peak:m/z	Relative Intensity
57.04564	0.4
65.24304	0.3
67.05502	0.4
69.03424	0.5
70.06601	0.4
79.05474	0.5
81.07058	0.3
85.02913	0.6
85.35533	0.2
91.05497	0.5
93.07029	0.3
94.04060	1.5
107.08592	0.3
121.02883	1.5
123.04459	0.9
123.06685	0.9
135.04395	0.4
139.03922	1.6
139.20023	0.3
145.10146	0.4
150.07765	100.0
151.08081	0.9
163.03934	0.4
191.03404	0.7
192.07924	0.2
192.10211	0.3
201.05406	0.3
203.03477	0.4
221.11749	0.3
229.04909	0.3
229.25311	0.4
247.05911	0.3
247.13443	0.5
257.04602	0.6
275.05542	0.9
282.12009	0.8
287.05533	1.1
295.11542	18.7
296.11823	0.4
409.08987	0.5
427.19583	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	427.3059
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	8.5
55.01879	9.2
55.05317	3.0
55.05524	31.3
57.03444	27.0
57.07069	12.4
58.74147	3.3
61.02919	6.7
65.03933	4.7
65.24276	3.6
67.05507	81.8
69.03439	52.6
69.07073	26.2
71.05000	7.2
71.51971	6.2
73.02924	14.9
79.05491	25.6
81.03429	76.2
81.07067	100.0
81.70789	3.7
83.04990	40.6
83.08627	25.9
85.02901	18.3
87.04477	5.2
91.05478	19.4
93.07058	36.2
95.04965	3.7
95.08614	94.6
95.09184	7.9
97.06557	7.1
97.10173	14.2
99.04462	16.6
99.08083	6.3
105.07015	19.8
107.08610	28.0
109.10163	46.9
111.04454	23.3
111.11732	6.8
119.08624	19.5
121.10162	34.8
123.11729	24.0
129.05482	76.0
131.08607	4.7
132.40752	3.8
133.10121	20.6
135.11710	14.5
137.13235	9.3
145.10135	6.7
147.06508	9.4
147.11742	14.2
149.13269	10.1
151.14795	7.2
161.13298	14.0
163.14842	8.1
175.11227	4.3
175.14806	9.5
189.16397	5.6
207.17528	5.4
217.15834	4.1
245.22647	21.1
263.23672	26.5
370.73901	5.1
383.57159	3.9
409.29422	13.4
409.34851	5.3
427.31717	5.3
427.36325	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	427.3211
Annotation	Griffinisterone D
Peak:m/z	Relative Intensity
50.73110	1.5
55.01863	1.6
55.05497	6.0
57.07064	4.9
59.07616	1.6
66.70947	1.4
67.05495	7.0
69.03424	3.7
69.07070	14.1
70.66419	1.2
71.08641	2.1
71.52598	2.7
76.01934	1.8
79.05486	6.8
81.07067	16.0
83.08607	6.1
85.10176	1.5
91.05456	6.6
93.07034	10.4
95.04961	3.5
95.08619	26.9
97.10159	2.2
105.07031	9.6
107.08602	23.1
109.06503	2.7
109.10156	15.2
111.08114	1.8
111.11678	3.0
117.07103	2.0
119.08586	14.7
121.06551	2.7
121.10159	15.3
123.08067	2.3
123.11730	8.3
125.09650	2.2
131.08559	4.6
133.06499	3.3
133.10161	11.2
135.08054	9.1
135.11702	11.8
137.13232	6.6
143.08575	2.8
145.10129	9.6
147.08008	2.2
147.11655	8.9
149.09612	1.7
149.13280	8.4
157.10136	5.3
159.11726	9.8
161.09630	9.9
161.13220	5.3
163.11099	2.3
163.14821	2.8
165.09096	2.0
169.10117	3.2
171.11684	3.1
173.09680	3.1
173.13251	4.1
175.11179	6.2
175.14775	3.4
177.12766	4.7
183.11559	2.6
185.13272	2.8
187.11208	20.9
187.14894	2.1
189.16406	4.3
191.14433	1.6
191.17967	7.0
199.11359	2.0
199.14871	2.6
201.12767	6.5
201.16364	2.4
202.13405	2.1
203.14252	2.0
203.17897	2.4
211.14674	2.3
213.16368	2.7
215.14267	1.7
215.17957	3.0
217.15944	1.8
225.16405	2.1
227.17966	2.3
231.17450	3.1
243.17462	9.5
289.17996	4.7
297.22198	2.9
297.25858	2.0
311.23669	5.9
325.25272	9.4
339.26865	8.6
340.27625	20.4
353.28308	2.3
381.31445	45.4
381.34808	2.6
409.30688	11.6
427.31982	100.0
428.32419	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	427.1303
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03445	0.8
71.50972	1.1
78.80981	0.7
82.99857	3.3
84.99606	1.2
88.38836	0.7
97.02903	0.7
97.11266	0.7
98.97561	1.1
101.00891	27.1
103.00639	5.2
103.96310	0.8
113.00892	3.0
113.33436	0.7
115.00660	0.9
115.02429	3.4
119.01926	19.1
119.02722	1.6
120.02108	0.8
120.10416	0.8
121.01708	3.5
122.33981	0.7
127.02402	2.4
129.02191	1.0
129.04027	1.2
131.01941	3.9
133.01654	1.6
133.03479	6.0
139.02400	5.0
143.01929	5.1
144.02025	1.6
145.01637	7.4
145.03452	4.1
147.03239	2.0
155.01920	2.4
157.01672	2.2
157.03474	36.4
158.03738	0.9
159.03282	1.1
161.02991	2.9
163.02737	7.6
163.04514	2.0
169.01962	1.3
169.03496	5.9
171.05002	1.1
173.03008	2.1
175.02809	2.7
175.04546	13.4
179.01906	1.2
185.02954	1.4
187.02745	4.8
187.04524	2.3
197.03078	1.2
199.02754	2.6
199.04385	1.0
201.26479	0.7
203.03882	1.1
205.03862	2.3
205.05617	5.9
207.54181	0.9
211.04570	1.0
217.03827	1.5
221.05104	1.1
223.06653	43.0
224.06865	1.7
225.06380	0.7
229.03773	0.9
241.07680	4.3
245.05016	4.2
246.05334	1.3
247.04710	14.9
247.07263	1.3
259.06772	1.1
265.08060	9.2
277.08029	6.5
279.09262	2.4
301.07693	2.4
305.02353	1.1
307.08826	2.3
337.09677	1.6
367.10892	100.0
368.11218	3.5
371.24829	0.9
427.08017	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3784
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
55.05519	22.3
57.07072	10.3
67.05503	37.4
69.07076	44.0
69.17387	14.0
69.17811	25.2
71.08639	6.6
79.05505	22.8
81.07064	82.8
83.08626	19.0
85.06554	3.7
89.06015	5.1
91.05491	20.6
93.07061	57.7
95.04931	4.4
95.08616	100.0
96.08895	3.2
97.06501	3.9
97.10178	16.2
105.07037	31.2
107.08607	79.1
109.10170	69.0
110.10545	4.0
111.08118	6.4
111.11718	5.7
112.11544	3.1
117.07022	4.8
119.08575	45.6
121.09315	5.8
121.10146	53.7
122.63148	3.6
123.08110	6.6
123.11734	39.0
131.08595	12.1
133.10162	37.8
135.11697	39.9
137.13266	17.2
139.11240	3.9
143.08621	7.5
144.09315	3.4
145.10170	21.0
147.11713	35.2
149.13274	29.8
151.14934	4.9
157.10130	6.4
159.11720	22.0
161.13274	23.0
163.14853	17.7
171.11746	6.0
173.13315	17.9
175.14841	10.4
177.16423	13.3
185.13383	4.5
187.14819	9.5
189.16386	22.7
191.18011	16.2
197.13173	3.9
201.16400	9.9
203.17975	21.8
205.19507	10.9
207.17462	8.5
208.23711	3.7
215.18013	9.1
217.19528	14.9
227.18127	5.1
229.19373	10.3
231.21103	5.6
233.19002	3.6
239.14848	5.3
243.21225	7.4
245.22679	12.5
257.22635	4.8
259.20578	4.2
261.22134	3.3
269.22617	8.3
287.23648	3.9
310.22009	3.9
325.28799	5.4
369.31406	3.7
407.37247	21.6
425.33005	10.6
425.38513	53.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3785
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
50.91864	1.9
52.48897	1.9
53.03956	2.6
55.05518	12.4
57.07075	7.1
67.05512	26.5
69.07076	25.8
71.08650	2.9
71.25172	3.4
79.05515	12.1
81.07072	64.4
83.08634	12.1
86.14291	2.2
89.06049	4.3
91.05500	10.4
93.07056	24.3
95.08627	100.0
97.10204	4.6
105.07050	24.4
107.08610	27.0
109.10168	43.2
111.11725	4.0
117.07029	2.6
119.08590	21.9
121.10167	22.4
123.11729	26.6
130.09435	2.5
130.50136	2.4
131.08585	8.9
133.10168	16.7
135.11696	18.6
137.13280	38.3
143.08571	6.8
145.10149	17.4
147.11754	15.4
149.13281	18.6
151.14828	4.7
157.10178	4.9
159.11736	12.5
161.13333	13.6
163.14850	6.6
171.11757	9.3
173.13292	11.2
175.14879	11.3
177.16470	7.9
178.73674	2.4
179.14323	2.2
179.17914	2.8
185.13258	4.2
187.14859	6.6
189.16420	9.0
191.18002	8.6
199.14827	6.7
201.16467	7.7
203.18010	6.0
205.19434	4.2
207.17523	3.0
213.16438	7.1
215.18034	10.6
217.19580	9.9
219.17564	3.1
227.17992	6.4
229.19638	5.6
230.57846	2.5
233.19057	4.5
241.19571	3.3
243.21053	2.7
245.19066	3.2
255.21098	6.8
257.22736	5.0
269.22513	4.9
273.47510	2.3
283.24130	4.9
395.36786	4.5
407.36847	15.2
425.21756	5.0
425.29535	5.2
425.38663	27.8
432.67538	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	425.3785
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60804	2.7
53.03958	2.5
55.05514	14.9
57.07084	9.1
67.05520	29.5
69.07079	37.7
70.06982	11.5
71.08633	2.9
79.05511	23.0
80.16669	2.9
81.07072	81.7
83.08635	17.0
89.06049	3.6
91.05490	15.7
93.07072	46.3
95.08622	100.0
97.10185	10.0
98.21371	3.8
105.07059	43.3
107.08618	62.1
109.06529	5.4
109.10177	64.1
111.11749	5.3
117.07028	6.9
119.08604	32.7
121.10159	53.3
123.11726	34.5
130.07825	3.7
131.08606	13.7
133.10147	26.5
135.08109	3.4
135.11710	37.8
137.13268	20.3
145.10144	34.9
147.11714	29.1
149.13287	46.1
157.10152	6.1
159.11722	27.8
161.13310	17.5
163.14873	14.5
165.09169	6.9
165.28261	3.6
171.11719	8.1
173.13342	14.1
175.14853	11.5
177.16403	8.7
185.13280	8.3
186.14073	3.3
187.14867	23.4
189.16406	14.5
191.17987	24.9
201.16420	16.3
203.17989	13.3
205.15967	5.0
205.19556	25.0
213.16467	3.1
215.18015	12.8
217.19594	11.3
219.17574	4.6
219.21161	10.1
227.17973	3.2
229.19760	4.4
243.21204	4.8
247.20677	2.9
255.21172	3.9
407.37012	40.3
425.21579	6.5
425.38434	36.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3782
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
53.03942	3.1
55.05511	16.5
57.07063	5.3
67.05242	2.3
67.05517	27.2
69.07079	32.0
69.81384	2.6
71.52886	3.5
79.05490	16.8
80.92408	2.3
81.07065	64.7
83.08648	15.1
83.09052	3.3
89.06028	4.1
91.05459	12.7
93.07059	39.2
95.08617	100.0
97.10179	9.6
98.21056	3.3
105.07043	39.9
107.08604	64.8
109.09478	5.0
109.10168	66.2
111.08031	2.8
111.11719	6.0
113.09614	3.0
117.07063	3.7
119.08597	41.5
121.10154	52.1
123.11717	32.7
131.08598	8.1
133.10141	33.3
135.11700	32.5
137.13245	16.5
139.11275	2.7
145.10133	15.6
147.11705	32.9
149.13272	47.8
151.11206	4.0
151.14839	3.8
157.10147	4.7
159.11758	16.0
161.13277	30.0
163.14813	27.6
171.11697	3.7
173.13287	11.0
175.14822	16.3
177.16396	18.2
179.14339	13.5
185.13269	3.7
187.14778	14.3
189.16425	26.3
191.17964	44.4
201.16399	8.9
203.17979	28.6
205.19598	12.8
207.17488	3.2
215.17999	14.1
217.19568	35.5
219.17461	3.2
229.19577	14.8
231.21112	5.0
233.18987	5.2
235.20584	9.3
241.19550	4.2
243.21143	3.7
245.22719	7.6
247.20604	3.9
255.21072	3.1
257.22717	4.7
269.22717	3.2
290.75476	2.6
325.36844	2.6
327.54199	2.8
407.37100	17.0
425.22067	3.7
425.28891	10.3
425.38199	52.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3787
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
55.05521	35.0
57.07092	21.5
65.03996	3.4
67.05520	35.7
69.07082	100.0
70.82305	8.7
71.08651	5.2
79.05512	17.3
81.07076	59.9
83.04992	3.3
83.08634	40.8
85.06554	4.4
91.05493	19.9
93.07053	37.8
95.08626	92.4
97.10173	14.4
105.07053	41.5
107.05019	3.2
107.08615	72.5
109.10174	69.4
111.08092	4.4
111.11762	7.8
117.07053	4.9
119.08603	45.6
121.10171	50.9
123.11744	35.3
128.06212	3.1
131.08575	18.3
133.10152	40.2
135.11717	62.2
137.13278	26.5
143.08606	8.5
145.10139	32.7
147.11726	31.5
147.68466	3.7
149.13278	23.6
150.15175	3.6
151.14862	7.7
151.64479	3.2
157.10237	7.6
159.11739	34.5
161.13292	36.3
163.14813	20.7
169.57005	3.2
171.11765	9.2
173.13333	22.7
175.14853	18.6
177.16479	8.0
179.14313	5.6
179.17999	3.5
185.13310	11.7
187.14854	23.3
189.16444	17.0
191.17998	19.7
199.14870	13.9
201.16414	22.8
203.18007	15.3
205.19629	6.6
207.17473	5.1
211.14915	4.4
213.16435	10.5
215.17990	31.0
217.19600	13.4
227.18015	7.3
229.19583	10.6
239.17981	4.7
241.19539	7.1
243.21033	6.3
243.60612	3.5
255.21091	9.0
267.21118	4.4
269.22678	39.6
271.24274	6.1
283.24222	4.1
285.22299	4.0
285.25916	3.8
287.23743	40.8
297.25803	11.6
301.25290	5.1
313.25311	6.5
315.26880	17.9
325.28778	4.2
407.36914	31.6
425.32788	4.2
425.38367	53.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3783
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
55.05518	20.9
57.07086	17.7
67.05513	34.5
69.07076	44.3
69.15961	10.0
69.16381	17.9
71.08632	2.7
79.05489	20.0
81.07063	70.3
83.08614	21.5
89.06055	3.6
91.05485	20.5
93.07055	40.7
95.08617	100.0
97.06544	5.4
97.10178	14.4
99.08119	2.6
105.07038	40.4
107.08588	64.8
109.10166	68.9
111.11726	7.3
117.07023	9.5
119.07822	1.7
119.08588	50.3
121.09323	4.5
121.10154	52.8
122.10387	2.6
123.11717	36.2
125.09660	2.7
131.08572	20.6
133.10146	35.3
135.11719	27.5
137.09578	3.0
137.13275	20.3
144.09314	2.9
145.10121	27.9
147.11697	31.0
149.13266	21.5
151.14796	4.9
157.10130	7.3
159.11710	39.3
161.13281	27.4
163.14870	20.6
163.38881	2.8
164.99043	3.4
165.12842	3.1
171.11641	5.1
173.13289	35.6
175.14867	21.8
177.16402	11.2
179.14383	14.3
179.17981	3.8
182.30350	2.5
184.16098	2.5
185.13242	4.2
187.14827	21.3
189.16367	13.3
191.14354	14.0
191.17972	11.7
199.14905	4.5
201.16357	11.0
203.17963	9.1
205.15921	7.7
205.19485	4.9
211.14775	3.3
213.16458	4.4
215.17987	15.0
217.19499	11.3
219.17409	7.0
219.21036	4.6
227.17914	5.3
229.19536	29.6
231.21057	8.3
233.19060	9.2
241.19481	7.5
243.21082	4.4
245.22604	4.5
247.20575	6.6
255.21243	3.9
259.24255	3.5
269.22687	2.9
285.25607	5.2
325.28674	4.4
365.19742	2.9
407.31842	3.2
407.36823	60.5
425.32477	3.5
425.38147	66.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3783
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	7.4
55.05514	31.6
55.20558	4.4
56.66088	4.2
57.07079	12.7
63.07467	4.2
67.05514	67.3
69.07076	71.0
69.66138	5.0
71.04993	17.5
71.08619	5.3
71.51955	6.2
79.05496	34.1
81.03434	5.3
81.07065	97.0
83.08649	28.2
83.09056	4.5
85.06559	46.0
91.05507	36.5
93.07060	48.8
95.01346	19.6
95.04972	6.4
95.08619	100.0
97.02905	7.1
97.06525	10.9
97.10177	15.8
99.04471	6.6
105.07028	59.5
107.04965	8.1
107.08605	67.6
109.10165	85.2
111.08070	9.8
111.11719	10.7
117.07049	13.8
119.08591	58.1
121.10139	53.3
123.08067	7.8
123.11719	43.2
127.11232	7.9
129.07019	7.0
131.08621	32.8
133.06488	5.0
133.10101	35.3
135.11699	44.2
137.09578	6.6
137.13248	19.6
139.11212	16.3
141.07094	5.3
142.56467	4.4
143.08568	12.2
145.10123	28.2
147.11728	36.7
149.13264	23.3
151.07561	9.2
151.11241	6.5
157.10173	20.8
159.11702	37.4
161.13232	23.8
163.11220	6.9
163.14856	9.3
165.09213	4.6
166.66611	4.5
171.11734	15.6
173.13264	19.0
175.14830	14.7
177.16354	9.7
185.13246	10.3
187.14864	16.1
189.16388	15.2
191.18048	6.6
199.14801	11.4
201.16383	12.9
203.18005	14.8
209.83368	5.8
213.16452	7.3
215.10669	4.8
215.18005	11.5
217.15988	5.2
217.19476	10.2
221.50836	4.6
225.16325	4.7
227.17986	8.0
229.19498	12.0
243.21198	6.0
245.18942	4.7
245.22620	5.2
247.20551	9.0
255.21011	4.8
259.20679	5.0
269.11816	5.5
269.22595	7.4
273.22360	6.0
283.24197	9.0
315.12241	13.3
315.26740	5.6
333.13324	39.0
407.36951	7.9
425.17984	52.2
425.29846	7.9
425.38330	59.5
442.48016	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	425.3779
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
50.92320	2.4
55.05503	9.2
57.07073	4.6
67.05507	21.2
67.65126	2.2
67.78339	2.2
69.06799	2.2
69.07076	28.3
70.63721	6.3
76.40994	2.3
79.05481	11.2
81.07059	55.1
83.08623	11.8
91.05470	10.2
93.07051	33.1
95.08610	100.0
97.10155	3.7
105.07014	17.0
107.08591	42.3
109.10163	74.2
111.08099	5.4
111.11704	8.7
117.07066	2.3
119.08595	36.4
121.10149	40.0
123.08059	3.6
123.11714	31.9
129.81380	2.5
131.08531	3.3
133.10144	26.4
135.11696	36.3
137.13266	21.9
145.10104	10.0
147.11688	17.5
149.13243	18.5
159.11720	15.1
161.13268	18.1
163.14842	17.2
173.13260	11.3
175.14848	10.8
177.12715	2.8
177.16379	7.6
179.14342	4.0
179.17964	3.1
187.14795	5.7
188.26894	2.7
189.16322	11.7
191.17923	23.9
201.16370	9.8
203.17928	13.8
205.19502	11.5
207.17549	5.7
214.12932	2.6
215.18010	11.2
217.19524	10.2
225.52867	2.7
229.19511	5.9
231.21109	5.5
233.19020	3.2
243.21097	8.9
245.22679	6.9
247.20580	18.3
257.22589	4.9
261.22278	4.5
269.22751	4.2
271.24167	5.2
285.25821	3.8
379.13745	2.6
407.36713	17.6
425.37781	99.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3781
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
50.26645	2.2
55.05514	11.7
57.07076	10.0
59.65549	2.3
59.95016	2.4
60.38058	2.2
67.05508	24.5
69.07067	25.1
70.68856	3.7
70.69194	4.1
71.08646	2.8
79.05490	10.1
81.07059	66.4
83.08624	10.3
89.06022	3.6
91.05476	14.0
93.07051	35.9
95.08616	100.0
97.10173	5.7
105.07047	19.9
107.08601	50.6
108.21108	2.2
109.10168	55.5
111.11744	3.9
118.26796	2.5
119.08579	35.8
121.10149	54.5
123.11715	31.8
123.66808	2.5
125.13316	3.0
131.08588	6.6
133.10135	41.5
135.11691	48.2
136.57829	2.2
137.13252	44.2
143.08594	3.8
145.10141	13.9
147.11705	25.3
149.13266	23.9
151.14822	10.6
153.52869	2.4
157.10130	8.1
159.11691	21.3
161.13266	19.3
163.14886	12.7
171.11736	9.2
173.13297	13.6
175.14807	13.4
177.16394	9.7
179.17952	2.7
185.13324	5.9
187.14848	10.6
189.16434	9.6
191.17955	5.8
199.14854	7.4
201.16420	5.4
203.17964	7.7
205.19389	2.8
213.16420	6.4
214.17049	2.6
215.17976	10.3
217.19653	3.1
227.18002	3.1
229.19528	12.3
231.21115	4.3
241.19576	6.8
243.21133	8.1
247.20607	3.1
255.21069	18.2
257.22672	35.0
259.20676	3.4
269.22604	15.0
271.24191	8.4
273.21973	13.5
273.26123	2.6
275.23645	12.5
283.24136	5.0
285.25809	19.0
287.23761	7.5
299.27438	2.5
311.27243	3.0
407.36795	44.7
425.37878	76.3
435.65588	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3786
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
55.05519	9.2
57.07082	6.7
67.05518	27.1
69.07080	27.5
71.13164	5.7
72.27805	2.3
74.83500	2.5
79.05492	10.6
79.05922	2.4
81.07067	52.1
83.08618	8.1
86.09707	3.4
91.05498	11.0
93.07059	31.7
95.08624	85.2
97.06536	4.7
97.10178	4.8
101.96144	2.4
105.07043	18.5
107.08620	50.9
109.10175	62.0
111.08109	3.1
111.11737	5.5
119.08591	31.6
121.10168	47.5
123.11720	38.9
131.08595	7.7
133.10149	28.0
133.27707	2.9
135.11717	41.0
137.13274	17.3
143.08586	3.1
145.10168	15.1
147.11739	20.1
149.13303	24.1
151.14845	3.4
159.11745	14.1
161.13254	21.9
163.14851	27.7
167.14413	3.1
171.11627	3.6
173.13283	15.7
175.14851	19.7
177.16403	11.2
185.13272	4.9
187.14857	11.6
189.16383	19.8
191.18033	15.9
193.29834	3.0
201.16426	8.3
203.18016	8.1
205.19601	5.8
207.17552	5.6
215.17982	14.3
217.19586	17.6
219.21190	3.3
229.19533	7.1
231.21173	10.8
243.21083	14.9
245.22702	10.1
247.20747	3.1
257.22711	9.2
259.24261	9.4
261.22266	6.4
269.22748	8.7
271.24429	14.1
273.25882	7.3
283.24341	4.0
285.25803	7.0
287.23831	6.2
297.25870	3.5
301.16129	3.0
311.27328	6.1
323.27728	3.1
329.28589	8.5
365.32095	4.4
407.36890	30.3
425.37878	100.0
426.37994	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	425.3778
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
51.29593	1.8
55.05507	5.1
57.07067	2.4
57.41776	1.7
61.35603	1.6
65.06429	1.5
67.05501	11.0
69.07082	13.0
71.25665	2.5
71.25993	1.7
79.05480	3.7
81.07061	28.4
83.08617	5.5
91.05480	5.2
93.07073	12.9
95.08614	51.7
97.10149	3.5
105.07028	10.7
107.08604	26.2
109.10159	36.7
111.11722	3.5
119.08567	17.2
121.10152	24.4
123.11692	12.4
130.30998	1.8
131.08621	2.2
133.10146	11.1
135.11691	19.0
137.13251	14.6
145.10139	4.8
147.11676	9.5
149.13281	11.3
159.11705	5.3
161.13307	12.6
163.14789	8.7
173.13304	4.5
175.14868	5.8
177.16415	8.9
179.14265	2.8
179.17973	1.8
187.14851	4.9
189.16425	9.4
191.17992	17.0
201.16371	2.8
203.18037	8.6
205.19514	7.1
207.17484	2.1
215.17920	9.0
217.19513	7.5
219.17464	2.2
229.19579	5.2
231.21085	3.6
233.19060	2.3
241.19582	2.9
243.21140	4.9
245.22704	9.9
247.20645	12.4
255.21201	3.0
257.22604	3.2
259.24374	4.1
261.22232	4.6
269.22629	4.0
271.24255	4.7
273.25766	1.9
283.24063	2.2
301.25293	2.1
341.28400	1.9
381.56055	2.0
407.36591	20.3
425.37802	100.0
426.38214	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	425.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	2.4
61.02884	0.9
70.48784	2.2
70.49175	1.7
73.02921	1.7
79.05489	1.4
80.97301	0.8
93.07001	0.9
95.08678	0.7
96.04459	0.8
97.06554	1.4
98.06056	3.3
100.51641	0.7
107.08595	3.7
108.04478	7.7
112.81794	0.8
119.03444	0.9
120.04471	0.8
120.99075	0.7
122.06026	2.8
123.04455	1.3
124.07584	1.2
132.08047	0.8
135.08064	7.3
136.07607	1.3
138.05492	1.9
140.07124	3.9
140.41988	0.7
146.99809	0.8
148.07629	1.4
150.05508	1.8
150.09091	1.2
160.07574	2.3
161.04460	1.9
162.09181	0.9
163.08694	2.6
164.07068	1.1
168.06622	3.4
174.09149	3.1
176.07071	1.1
176.10631	0.8
177.10231	3.5
178.08644	45.6
184.07600	1.5
187.08699	1.3
188.07086	4.1
191.08102	1.8
198.09181	1.3
201.10301	2.1
202.08672	8.8
205.09755	12.1
206.08194	7.0
216.10300	2.0
219.11314	9.1
220.09680	1.6
226.08549	1.7
229.09781	3.6
230.08125	3.4
241.48143	0.9
244.09756	2.2
247.10803	24.2
261.12329	1.4
265.11862	5.6
268.08096	2.9
271.10785	1.4
272.09171	1.5
289.11887	6.7
307.12854	8.2
337.14035	6.6
349.14063	1.7
361.13934	1.5
379.15186	4.9
383.14517	36.4
384.14633	1.3
393.64273	1.1
407.14539	0.8
425.15558	100.0
426.16013	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1149
Annotation	Unknow
Peak:m/z	Relative Intensity
55.77650	1.8
56.96569	8.8
61.02922	2.4
69.03432	7.9
70.40665	6.0
71.01359	2.2
73.02930	2.5
75.17680	1.5
77.24653	1.6
81.03446	3.3
82.99872	5.0
84.96046	1.8
85.02916	9.8
97.02905	7.6
98.97593	22.6
100.99146	1.9
101.00889	47.0
103.00639	2.0
103.65696	1.6
104.15356	1.7
109.02880	2.1
110.97598	5.3
112.99155	1.9
113.00871	9.3
115.02448	5.6
116.98660	5.3
119.01936	54.5
121.01692	2.4
127.02495	2.1
127.03944	3.0
128.98590	3.5
129.03946	3.2
131.00291	2.0
131.01917	16.2
133.03471	8.8
137.02965	2.5
137.05942	2.1
139.02426	7.4
143.00209	3.2
143.01907	42.5
145.01683	2.4
145.03464	15.9
146.99644	2.2
147.03265	1.9
147.05020	6.7
155.01910	21.1
157.03490	53.7
158.99651	3.4
161.02985	49.8
161.04320	2.4
162.03088	1.6
163.02721	1.7
163.04550	4.5
167.01949	11.5
169.03458	9.7
171.05022	3.6
173.02951	20.6
175.04547	21.7
177.00774	2.7
179.01987	6.8
181.05655	1.9
185.02960	32.5
186.03172	1.8
187.02888	2.2
187.04590	7.2
189.06131	4.7
191.02396	1.8
191.04048	4.8
197.03001	17.6
201.00719	2.3
201.06131	5.3
203.04001	15.5
205.05571	10.1
213.09915	1.6
215.03983	7.5
215.11394	2.9
217.05626	2.2
219.01811	4.4
219.07224	2.7
221.05135	5.0
223.06660	71.6
225.06326	1.9
227.04015	8.7
231.07187	3.3
237.02823	3.2
239.04324	3.2
241.07672	9.0
245.05104	100.0
246.05246	2.2
246.08261	1.9
247.06729	2.4
251.04433	1.6
257.05103	6.2
263.06183	25.9
265.07709	74.8
266.07880	3.1
275.06183	15.8
277.11502	1.8
291.05957	2.9
291.09232	10.4
293.07471	2.5
293.10867	9.2
295.08975	12.5
305.07159	7.7
309.06781	4.8
321.10297	16.5
335.08322	1.9
339.11404	6.6
363.11383	2.5
365.09348	4.8
381.12357	2.7
407.09174	2.1
425.07065	4.7
425.11441	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
63.03264	0.9
69.24851	9.0
69.25176	1.2
82.99848	4.3
97.02892	1.4
98.20811	1.8
101.00211	1.0
101.00884	26.0
113.00874	4.9
119.01929	20.4
127.02431	4.2
131.01891	8.6
139.02431	2.5
143.01901	49.2
144.01982	1.2
145.03484	8.4
147.01366	1.4
149.02971	1.0
155.01901	21.0
157.03482	6.4
161.02963	40.0
167.01927	14.4
169.03485	3.2
171.05023	2.5
173.01610	0.7
173.02956	18.7
178.12814	1.0
179.01892	8.1
185.02960	36.1
187.04567	3.9
190.83145	0.9
191.04076	3.6
197.02963	15.0
203.04002	15.6
209.02989	2.0
215.04050	5.2
221.05106	1.8
223.06349	1.1
227.04013	8.6
245.05081	100.0
246.05316	3.7
257.05139	5.2
263.06134	23.5
275.06137	14.2
293.07205	3.0
305.07178	8.7
335.08206	3.4
365.09473	4.9
387.13516	0.9
389.13525	1.0
425.11414	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	424.2543
Annotation	Unknow
Peak:m/z	Relative Intensity
57.92730	6.4
67.05492	11.8
69.31167	63.2
78.23129	6.4
79.05484	8.2
81.07037	13.4
85.02882	11.2
85.08421	6.7
86.09717	15.6
91.05465	7.3
93.07030	15.8
95.04979	8.8
95.08579	18.5
105.07000	13.2
107.08605	25.2
109.10175	12.3
119.08576	15.7
121.10138	27.0
133.10109	18.9
135.07942	7.4
135.11682	25.1
137.09657	10.6
137.13260	19.0
147.04376	14.4
147.11665	13.3
149.13252	15.7
158.08090	8.5
163.14859	10.5
164.07062	6.9
173.13292	37.9
191.14326	38.0
209.15395	30.7
216.10109	7.8
230.10318	7.1
244.09712	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.2545
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	7.9
57.07075	9.8
62.06100	55.0
67.05497	24.4
67.26090	7.8
69.03418	15.6
69.07069	18.9
70.27625	11.1
70.27964	26.4
71.04987	11.6
79.05504	15.9
81.07065	36.9
83.04984	18.0
83.08617	11.0
84.08172	10.1
85.02917	31.4
85.06550	12.7
91.05500	24.4
91.46147	7.9
93.07060	25.6
95.05017	11.4
95.08602	49.2
98.20839	11.8
99.13733	7.4
105.07035	29.0
107.04959	13.3
107.08604	58.8
109.02225	8.0
109.06506	11.3
109.10157	28.2
111.08137	7.7
113.06017	10.4
119.08570	32.3
121.06525	7.9
121.10148	100.0
122.54815	8.3
123.08094	14.0
123.11714	26.8
125.09653	17.5
131.08556	12.6
133.10115	41.2
135.08099	12.5
135.11720	31.0
136.07619	19.1
137.09663	21.3
139.03902	23.9
139.11194	10.8
145.10170	19.1
147.04422	17.5
147.11716	21.5
149.13261	22.7
151.02144	13.0
153.09097	13.8
158.10910	13.4
163.14879	29.8
173.13266	79.6
183.35652	8.8
186.94177	8.6
191.14331	89.5
209.11757	14.0
209.15361	56.2
227.16193	9.7
244.19104	69.9
260.76935	11.0
262.10623	17.5
262.20184	37.1
269.04980	9.9
286.07516	33.8
300.10580	9.0
340.09225	8.7
406.13251	16.5
424.14948	13.0
425.17719	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	424.2543
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24500	4.3
55.05511	6.2
55.55970	4.7
56.90060	5.4
62.06093	69.3
67.05511	11.3
69.03448	10.4
69.07072	7.8
70.06599	4.7
70.56797	15.2
71.05006	5.9
73.50537	4.7
79.05508	8.0
80.45332	4.8
81.07050	20.6
83.04971	8.1
85.02911	15.9
86.09713	5.9
91.05468	12.1
91.74037	5.3
93.07034	6.6
95.04976	5.2
95.08604	17.6
97.02893	6.9
97.06551	6.5
105.07034	14.8
107.04926	5.7
107.08585	19.1
109.10176	12.1
118.83594	5.0
119.04918	6.1
119.08599	10.8
120.03388	4.3
120.08137	5.4
120.61973	4.8
121.10151	23.6
124.03947	13.2
133.10156	9.1
135.08095	5.3
135.11688	9.8
136.07599	11.3
136.53880	4.1
137.09634	7.6
137.87956	4.8
138.05536	5.6
141.09119	4.6
142.93217	4.1
147.04387	34.0
147.11731	8.4
156.06618	5.6
161.08124	4.4
163.14822	6.3
163.39151	4.3
171.36211	4.5
173.13243	14.2
178.08687	5.9
182.13850	4.1
191.14326	23.4
209.15366	25.4
226.18010	18.2
227.12764	6.6
227.16397	8.2
244.19110	100.0
262.10590	5.2
262.20239	34.7
354.22763	5.4
425.15991	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	423.3625
Annotation	Marsformosanone
Peak:m/z	Relative Intensity
53.03943	2.4
55.05513	13.9
57.03431	1.6
57.07069	5.7
65.03955	2.3
67.05510	21.8
68.44914	1.4
69.07072	29.2
69.37800	2.7
69.38200	11.0
71.08602	2.0
79.05504	11.3
81.07061	47.4
83.04976	1.4
83.08628	11.5
85.06555	1.8
87.47436	1.4
91.05486	11.6
93.07048	26.7
95.04966	1.4
95.08609	83.7
97.10165	6.0
105.07027	23.1
107.07884	2.8
107.08602	50.9
109.06526	2.2
109.10162	47.9
111.08085	2.3
111.11719	6.4
117.07029	3.4
119.08593	37.4
121.06448	1.5
121.10148	42.7
123.08060	1.9
123.11708	23.7
126.64186	1.4
128.06264	1.6
131.08568	10.1
133.10135	27.8
135.11696	23.3
137.09613	1.9
137.13254	17.3
140.59518	1.4
142.07799	2.4
143.08574	10.3
145.10130	24.1
147.11697	20.5
149.13260	11.7
151.11107	1.6
151.14848	3.4
155.08673	1.5
156.09366	3.5
157.10162	14.6
158.10860	1.8
159.11708	22.6
161.13254	14.7
163.11235	2.1
163.14803	8.3
165.12833	2.7
169.10191	4.0
170.10866	1.8
171.11659	15.3
171.20500	1.6
173.13278	17.4
175.14839	15.2
177.16389	11.7
179.14365	4.4
183.11746	5.2
185.13307	8.8
187.14830	14.5
188.83234	1.4
189.16396	16.1
191.17931	17.9
193.15929	2.5
195.11774	1.6
197.13315	5.4
198.14127	2.3
199.14885	10.4
201.16418	8.3
203.17998	8.0
205.15950	5.4
205.19603	6.0
207.17461	1.7
209.13235	1.6
211.14848	6.0
213.16396	13.9
215.18010	8.2
217.15923	6.1
217.19592	6.1
219.17462	3.5
223.14658	1.9
225.16370	3.5
227.17947	7.5
229.19531	12.3
231.17419	11.1
231.21049	8.1
233.18997	2.3
239.18091	3.6
241.19469	7.6
243.21072	7.0
245.19073	4.2
245.22588	6.8
253.19592	3.6
255.21062	4.8
257.22696	4.0
259.20667	4.8
267.21158	5.4
269.22653	3.2
271.20673	2.7
271.24390	2.2
273.21930	1.6
281.22693	3.8
283.24234	2.8
285.22205	5.3
285.25351	1.5
295.24277	4.2
297.25848	2.5
309.25604	1.6
313.25348	2.1
321.25912	5.2
323.27310	9.2
327.26743	1.8
335.27380	9.6
336.27911	2.5
337.29004	1.5
349.28711	2.7
363.30508	4.5
373.35852	1.4
405.35175	100.0
406.35541	4.8
414.87146	1.6
423.36325	90.6
424.36536	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	423.3625
Annotation	Marsformosanone
Peak:m/z	Relative Intensity
51.52692	0.9
53.03938	1.2
53.33278	1.0
55.05513	5.9
55.31810	1.0
57.07073	3.2
67.05514	17.3
69.07073	25.7
69.85947	2.4
69.86358	3.8
71.08624	1.3
79.05489	7.0
81.07063	21.7
83.08616	5.9
87.94399	1.0
89.06020	1.3
91.05479	6.2
93.07057	11.2
95.05016	2.1
95.08614	32.9
96.47118	1.1
97.10151	2.5
98.21003	2.4
105.07047	11.7
107.08601	15.9
109.10168	40.7
111.08047	2.4
111.11733	1.4
117.07006	1.8
119.08589	16.8
121.10155	11.8
123.08074	2.0
123.11728	8.2
129.07054	1.9
131.08640	5.9
133.10147	12.3
135.08119	1.1
135.11711	5.1
137.09622	1.5
137.13264	4.9
141.06953	1.4
142.07826	1.4
143.08609	4.8
144.08113	1.4
145.10144	11.0
147.11664	5.7
149.13286	3.6
151.14883	2.0
155.08578	3.0
156.09370	3.2
157.10129	10.7
159.11726	9.6
161.13293	5.5
163.14842	3.5
165.09137	3.1
165.16382	1.5
168.09515	1.1
169.10139	6.9
170.10936	1.3
171.11693	15.9
173.13290	10.2
175.14832	4.1
177.16458	2.8
181.10167	2.4
182.10933	1.8
183.11714	6.7
185.13300	7.2
187.14862	6.9
189.16460	2.0
191.18068	2.5
195.11847	2.6
196.12474	2.1
197.13295	6.7
199.14864	5.5
201.16463	3.7
203.18127	2.5
208.55652	1.0
209.13321	2.2
211.14857	4.4
213.16438	4.7
215.18059	1.4
217.19597	2.0
221.15433	3.7
223.20320	1.4
224.15594	2.9
225.16400	4.3
227.17981	5.5
237.16374	1.2
239.17918	11.5
241.19383	2.4
243.17354	1.3
245.19136	1.5
248.87343	1.3
251.18190	1.5
253.19534	6.6
255.21097	2.6
257.19086	6.2
259.20673	1.9
267.21213	4.6
269.22388	1.1
271.20575	7.4
271.23206	1.1
281.22809	2.2
283.24304	1.9
285.22253	3.8
295.24335	1.9
309.37030	1.1
311.27179	1.2
313.25540	1.4
323.27383	2.2
405.35263	16.1
423.36356	100.0
424.36652	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3622
Annotation	Marsformosanone
Peak:m/z	Relative Intensity
55.05510	3.7
65.91295	1.5
67.05503	7.3
69.07066	12.6
71.43022	2.0
79.05501	8.3
81.07059	20.7
83.08610	3.4
91.04909	1.7
91.05447	6.3
93.07052	11.7
95.08615	26.4
97.10181	1.3
102.80405	1.2
105.07041	13.7
107.08599	17.3
109.10157	14.5
111.11676	1.8
117.07040	2.1
119.08581	17.0
121.10160	11.8
123.11740	8.6
131.08595	4.1
133.10133	12.2
135.11722	7.7
137.13261	8.7
143.08577	3.4
145.10152	7.5
147.11682	12.6
149.13245	5.1
157.10164	4.6
159.11696	9.7
161.09604	1.3
161.13260	14.9
163.14784	2.7
168.49927	1.4
169.10280	1.7
171.11682	4.6
173.13316	7.0
175.14856	7.9
179.14316	2.8
183.11714	3.8
185.13263	4.0
187.14830	5.0
189.16385	2.2
191.17993	2.6
197.13237	2.5
199.14883	2.9
201.16409	2.0
203.17963	2.0
205.19579	1.9
211.14828	1.9
213.16408	3.3
215.18031	1.7
217.19608	1.9
225.16405	1.9
227.18001	2.7
229.19614	1.4
239.17990	1.6
241.19444	2.1
243.21078	3.8
245.22685	5.8
253.19539	2.0
255.21092	3.7
257.22720	6.2
267.21118	5.1
269.22705	3.7
271.24249	6.3
281.22495	2.0
283.24271	9.1
285.22119	2.8
297.25858	3.7
321.25964	1.6
372.38165	1.3
377.32053	1.6
405.35144	22.8
423.36234	100.0
424.36456	3.5
448.30841	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3109
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03961	1.0
55.01875	0.8
55.05511	5.7
57.03437	2.1
57.07072	1.6
64.66704	0.6
67.05511	9.0
69.06731	0.9
69.07074	11.4
69.27269	5.8
71.04992	1.3
71.08633	1.8
75.04479	0.6
79.05495	5.8
81.07061	13.9
83.04960	0.8
83.08622	5.6
85.06535	1.5
91.05473	3.3
93.07048	8.6
95.04962	1.2
95.08611	12.7
95.28680	0.7
95.72578	0.7
97.06522	2.6
97.10196	1.1
98.21268	2.8
99.08109	1.4
105.07051	5.4
107.08607	9.2
109.06528	12.9
109.10165	5.8
111.08106	2.0
119.08602	7.1
121.06546	0.6
121.10135	5.2
122.07304	1.0
123.08079	49.5
123.11707	3.3
131.08582	2.0
133.10149	4.6
135.08080	8.0
135.11688	3.0
137.09653	2.9
137.13284	0.9
143.08607	0.8
145.10101	3.2
147.11693	2.9
149.09683	3.3
149.13266	2.5
151.11148	1.2
159.11685	2.0
161.13309	2.2
163.11269	1.1
165.12834	1.0
165.20259	0.8
171.11766	0.7
173.13222	1.0
177.12772	3.2
179.12762	1.2
179.14319	22.6
179.15846	1.3
190.19795	0.6
191.14400	1.1
193.15900	1.1
193.88612	0.7
205.15918	0.9
233.19020	1.2
247.20616	1.6
263.20035	2.0
275.20129	3.7
289.25394	0.8
293.21216	3.5
303.26855	4.8
331.26337	34.6
332.26617	1.1
349.27408	8.4
367.24564	3.2
405.29990	2.3
423.31094	100.0
424.31555	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	423.3622
Annotation	Marsformosanone
Peak:m/z	Relative Intensity
53.03951	2.8
55.05516	15.0
57.07078	7.8
58.89370	2.6
63.49013	2.7
65.68640	2.5
67.05508	24.7
69.07081	33.6
71.29113	6.4
76.37406	2.6
79.05497	13.1
81.07057	55.7
83.08624	12.8
91.05479	18.3
93.07047	37.2
95.04985	4.0
95.08609	84.5
97.06533	4.0
97.10162	7.0
101.94664	2.8
105.07053	28.8
107.08611	53.4
109.10165	68.4
109.10852	5.7
111.08074	5.9
111.11725	7.3
117.07021	4.7
119.08592	43.1
121.10149	57.3
123.08107	5.7
123.11706	28.1
131.08585	11.8
133.10136	38.3
135.08095	5.7
135.11716	24.4
137.09636	4.1
137.13252	10.0
143.08551	3.6
145.10124	16.0
146.24278	2.9
147.11719	27.3
149.09627	6.2
149.13229	20.7
151.14812	4.9
157.10185	4.6
159.11673	17.8
161.13271	19.1
163.11226	7.0
163.14864	9.2
166.04311	2.8
171.11708	9.8
173.13266	14.7
175.14854	15.4
177.16417	13.2
179.14322	4.4
185.13333	6.2
187.14891	8.3
189.16302	16.3
191.17899	15.3
199.14915	5.7
201.16377	7.0
203.18005	16.5
205.15919	7.4
205.19525	7.6
211.14726	3.8
213.16475	7.0
215.17949	6.4
217.16147	3.5
217.19463	15.5
227.17896	7.4
231.17458	7.2
231.21030	4.1
233.19096	3.6
241.19391	4.9
243.21196	6.8
245.19026	4.5
245.22580	6.1
255.21082	6.8
257.22644	3.6
259.20490	4.1
269.22754	9.2
271.20541	3.9
271.24200	6.7
283.24347	4.8
285.22156	8.3
286.62579	3.2
287.30722	2.8
287.66229	3.5
288.43747	2.9
327.26971	3.1
405.35297	25.4
423.30884	5.4
423.36282	100.0
424.36942	4.5
433.07031	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	423.3107
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77258	0.6
50.78382	0.5
51.31590	0.5
53.03938	0.8
55.01868	1.2
55.05520	4.9
57.03428	2.3
57.07077	5.4
65.24638	0.5
65.75700	0.6
67.05509	7.9
69.03463	0.6
69.07068	6.1
70.21297	2.4
70.56284	0.5
71.04989	0.9
71.08642	3.1
79.05488	6.2
81.06591	0.8
81.07059	13.3
83.04988	1.0
83.08615	3.2
85.06540	2.5
91.05483	3.6
93.07046	6.6
93.87799	0.6
95.08614	10.9
97.06534	1.9
97.10180	1.0
99.04552	0.6
99.08092	2.3
105.07039	4.8
107.08606	7.9
109.05800	1.1
109.06529	17.8
109.10163	3.9
111.08081	1.1
117.07031	1.3
119.08585	7.2
121.10136	5.5
122.07285	2.4
123.08072	37.2
123.11726	2.2
129.06975	0.7
131.08551	1.9
133.10120	4.3
135.08073	5.4
135.11691	2.7
137.09599	2.2
137.13225	0.7
143.08603	0.6
145.10120	2.3
147.11691	2.8
149.09619	2.2
149.13240	1.9
159.11722	2.5
161.09596	1.3
161.13246	1.1
163.11183	0.7
165.12755	1.7
167.14296	1.4
173.13312	1.8
175.14764	0.9
177.12764	2.1
179.14319	80.6
180.14713	2.0
187.14822	1.0
193.15871	3.2
205.15924	3.2
219.17552	0.7
233.19043	1.0
247.20490	1.0
275.20071	1.9
293.21133	1.0
303.26862	2.5
313.25333	1.0
331.26334	34.8
332.26660	1.1
349.27393	9.5
367.24957	1.5
405.30325	2.1
423.31076	100.0
424.31348	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	423.274
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	5.3
54.17850	2.9
55.01866	6.1
55.05510	18.6
57.03440	9.1
57.07078	4.3
58.21907	3.1
65.03934	5.9
67.05512	100.0
69.03432	12.6
69.07074	24.8
69.52771	2.9
70.12280	10.4
71.04995	5.0
73.78429	3.1
79.05502	37.0
81.03424	13.1
81.07070	77.8
83.04989	6.5
83.08633	11.7
85.02918	6.5
85.06543	5.3
91.05489	32.8
93.07055	52.4
95.04969	11.3
95.08063	4.9
95.08617	59.1
97.02927	3.6
97.06553	5.5
97.72704	3.5
99.04470	4.5
105.07040	23.8
107.08599	37.6
109.06543	7.3
109.10165	51.9
111.08097	8.4
117.07039	13.9
119.08575	22.2
121.10162	16.7
123.08102	5.0
123.11699	8.7
129.07054	3.8
131.08565	22.1
133.10136	20.3
135.08127	3.2
135.11696	18.0
137.09663	4.7
137.13329	3.6
143.08563	5.9
145.10129	16.6
147.11711	13.5
149.13292	16.7
153.09099	3.4
155.10690	4.1
157.10152	6.6
159.11740	16.2
161.09673	6.0
161.13258	7.2
163.14882	4.3
171.11711	5.3
173.11749	10.8
173.13297	8.2
175.14899	4.1
177.12775	5.3
179.14337	3.9
183.11714	6.1
187.14839	5.6
189.16476	3.2
190.44719	3.2
195.13766	5.1
199.14819	4.6
224.12009	3.5
243.21106	5.2
261.22189	12.5
331.26590	5.1
357.24280	4.2
369.24344	7.0
387.25375	6.4
405.26437	7.2
423.27466	28.5
423.36496	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	423.0903
Annotation	Mangiferin
Peak:m/z	Relative Intensity
55.05504	2.7
56.96592	2.4
58.95394	2.5
65.89788	2.2
69.03413	3.6
69.07063	2.7
69.18530	17.4
69.18935	6.2
70.06592	2.7
73.80178	2.4
74.04341	2.3
84.04462	3.3
85.02905	7.0
98.97571	10.2
116.98619	3.1
127.03925	3.0
158.99654	4.1
159.07707	2.7
166.05431	4.3
172.04213	3.8
173.12914	3.1
219.01823	2.8
223.07510	4.2
287.02649	2.8
311.20468	2.6
327.60962	2.4
359.03784	50.3
391.06393	14.4
423.09024	100.0
424.09442	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.0905
Annotation	Mangiferin
Peak:m/z	Relative Intensity
66.91999	1.7
69.82190	5.6
85.02895	2.3
97.02974	1.7
98.20770	3.0
102.73023	1.6
144.60950	1.5
246.93848	1.6
329.87695	1.5
359.03799	28.0
391.06366	5.7
423.09042	100.0
424.09412	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.0912
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	2.2
55.01870	3.6
55.05518	3.9
56.96567	19.4
57.03437	6.3
58.99596	2.6
59.04988	4.6
60.95836	3.7
61.02922	6.4
62.33035	2.2
67.05495	3.3
69.03442	18.9
69.07066	4.1
69.23978	2.6
69.74643	2.4
69.96466	5.1
69.96854	7.0
70.03741	2.8
71.01374	8.6
72.08167	7.8
73.02924	5.7
81.03420	6.5
81.07067	2.9
82.99853	5.4
84.08170	3.9
84.96036	12.7
85.02913	30.3
87.04449	6.0
89.10757	2.5
97.02891	20.3
98.97594	80.2
99.04462	6.6
101.00896	29.9
101.04250	8.1
102.96870	3.3
105.06993	2.5
109.02892	2.6
110.97594	23.3
112.99170	5.0
113.00896	13.0
113.02348	4.0
115.02437	5.6
116.98638	19.5
119.01933	26.9
124.99065	3.0
125.02384	2.4
126.96989	2.2
127.02456	4.5
127.03942	7.9
128.98627	13.6
129.01875	3.4
129.03975	3.1
131.00168	3.5
131.01929	21.2
131.05579	13.9
137.00850	5.8
137.06017	4.0
140.98618	4.5
143.00166	6.7
143.01912	100.0
144.01935	3.7
144.98149	4.0
145.01752	2.6
145.03459	8.1
145.04906	5.7
146.99522	3.0
147.01410	3.0
147.03255	3.6
148.02304	3.1
149.02982	2.5
149.06654	8.4
152.98708	3.2
155.01936	28.4
155.04631	9.3
155.05696	3.8
155.54892	5.5
156.98128	4.6
157.03546	5.8
158.99687	26.1
159.05077	6.7
161.01450	4.6
161.02972	63.8
162.03195	3.9
164.55446	2.8
167.05652	3.8
168.98172	3.0
170.99686	8.0
171.01149	35.2
171.03348	5.2
172.01457	23.2
172.02809	2.6
172.03064	2.8
172.04294	19.7
173.00891	2.2
173.01511	2.7
173.02943	19.9
173.06616	30.5
174.99181	5.7
177.00700	11.8
177.06143	5.6
185.03036	3.6
185.06593	30.4
186.99214	3.5
187.08206	3.8
189.00743	6.7
189.04451	3.7
191.07687	5.3
192.04655	3.4
197.06630	3.5
199.08118	4.5
201.00723	3.8
201.06129	3.3
203.04094	8.4
203.07645	12.6
215.07635	15.6
219.01781	17.9
221.05122	19.8
227.07539	3.3
227.57033	3.9
235.06686	3.0
236.06270	4.4
237.02867	9.8
239.04701	2.7
241.56509	3.6
245.06802	17.8
245.56895	5.5
254.03758	4.0
257.08780	4.6
261.02582	2.4
261.06360	3.6
275.09763	34.6
291.07544	9.6
293.10815	87.4
305.10629	3.1
309.08624	19.5
335.11801	4.7
349.04437	4.9
359.03751	11.2
391.05801	11.6
405.12366	16.3
423.08942	58.4
423.13675	53.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.0905
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96563	5.8
57.03422	2.6
58.99584	4.8
61.02910	2.9
67.05506	5.4
69.03418	7.8
69.07063	10.4
70.63299	4.7
70.63603	2.2
72.08169	7.2
81.03411	3.2
84.08144	8.1
84.96016	3.9
85.02905	18.5
97.02901	6.9
98.97600	27.7
99.04495	2.4
101.04256	28.3
109.02884	3.3
110.68053	2.2
110.97586	8.7
116.98605	4.6
127.02159	4.2
127.03893	4.8
130.08578	2.8
140.07069	7.8
140.68164	2.9
145.05043	3.0
145.94644	3.1
158.99680	11.5
162.99139	2.2
172.04300	59.3
173.04593	3.0
177.00769	5.6
182.08061	2.9
214.05365	5.2
215.08571	5.3
219.01753	9.4
237.02859	5.7
244.06384	5.1
261.09079	10.9
309.08615	2.8
358.99619	5.0
359.03757	48.7
377.13562	5.9
391.06274	3.9
423.08951	100.0
423.14355	29.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02945	1.2
67.05515	3.2
69.03437	4.7
69.07075	2.0
70.06589	2.8
70.07379	3.3
70.07770	2.5
71.05004	2.0
72.08161	2.0
79.05491	2.1
81.03435	2.3
81.07067	4.1
83.04997	1.9
84.08157	1.7
85.02917	6.3
85.06575	1.5
86.09702	1.9
91.05511	3.5
93.07058	3.5
95.04974	4.7
95.08618	3.4
99.04482	2.7
105.07031	4.5
107.04981	1.5
107.08602	3.3
109.06518	2.9
109.10157	2.2
111.08097	1.2
119.08587	5.2
121.06555	1.8
121.10146	3.2
123.04420	1.4
123.08086	2.7
124.03933	1.4
127.07625	2.3
131.08577	2.2
133.10150	4.0
135.08051	1.6
137.05984	4.0
137.09628	2.8
148.05180	6.1
149.09647	1.7
151.07594	3.3
151.11218	3.3
159.11652	1.3
161.09615	6.0
161.13274	2.8
163.11209	3.1
165.09154	2.1
167.07082	2.2
177.12708	2.0
179.10675	13.4
180.07863	1.7
181.08609	100.0
189.09181	3.3
189.12697	1.5
195.10144	6.3
197.11717	2.2
204.07837	1.3
207.10164	13.7
207.13846	5.1
219.10376	1.3
225.11243	28.1
225.14647	5.5
243.12334	16.8
243.15952	2.8
435.66278	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.0807
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02492	1.7
55.01863	1.6
56.96572	21.3
56.96843	1.9
57.03432	5.5
61.02943	2.3
62.52386	1.8
67.05448	1.4
69.03420	6.5
70.38866	1.6
71.01343	4.9
71.50437	2.9
81.03423	2.8
84.96034	15.3
85.02912	11.6
87.04460	1.5
97.02886	8.2
98.97591	100.0
101.00898	3.5
106.50612	1.4
106.69593	1.4
110.97575	46.7
112.99151	4.1
113.00900	2.8
113.02418	1.8
115.02424	2.0
115.59570	1.5
116.98640	18.5
119.01925	2.8
124.99151	8.1
125.02326	1.7
126.97040	2.0
127.03922	2.5
128.98605	23.6
131.01939	2.7
134.99666	2.8
138.97067	3.4
140.98706	3.0
141.01891	2.0
142.28308	1.5
143.00153	8.0
143.01871	1.8
143.03455	1.9
144.98114	4.0
145.04967	2.0
146.99663	3.2
149.52803	1.4
152.77364	1.6
152.98622	15.8
153.50217	1.5
155.01917	1.5
156.98123	9.8
157.03560	2.6
158.99664	31.9
159.02905	1.6
161.01218	4.7
162.99133	2.0
168.98111	4.5
169.03487	2.3
170.99687	23.7
171.01114	2.7
171.05099	2.4
173.01282	2.1
174.99199	6.5
177.00751	12.8
179.02216	2.6
182.99643	4.2
186.99187	2.3
189.00748	9.0
198.99144	2.3
201.00790	7.1
201.02454	1.7
203.07652	2.4
205.00053	1.9
213.00705	13.9
214.98570	3.2
215.07745	2.7
217.00211	4.9
218.98145	2.1
219.01782	21.1
221.03297	1.7
221.05171	2.2
223.06602	3.2
229.00241	6.7
231.01765	3.4
232.99707	1.8
235.01181	2.6
237.02736	15.3
239.04437	4.8
243.01859	1.8
245.06795	6.6
247.01286	1.7
254.06322	1.7
273.03049	2.1
279.09274	4.6
301.02228	2.4
305.10828	6.7
319.82446	1.9
321.19598	1.6
331.03427	8.3
345.01257	4.4
349.04385	31.3
350.04688	1.6
359.03973	2.2
363.02017	2.9
363.06476	2.9
367.05597	3.7
389.80634	1.5
391.05493	57.0
423.09033	8.7
423.13998	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	422.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
57.40779	1.1
61.02931	1.5
67.05504	2.0
69.03427	2.9
69.07048	1.9
70.06570	1.3
71.51536	1.3
78.74344	1.4
79.05502	1.2
81.03409	1.3
81.07055	1.8
83.04995	1.7
85.02891	4.5
88.25600	1.1
91.05505	2.5
93.07030	1.9
95.04998	1.6
95.08588	2.2
97.02891	2.0
98.03738	1.2
99.04475	1.9
105.07047	3.1
107.08559	3.0
109.06522	1.4
109.49233	1.2
119.08573	4.2
121.06487	1.4
121.10148	4.8
122.03610	1.3
123.08108	1.9
124.03945	13.5
125.09671	1.2
131.08560	1.9
133.10173	1.6
135.11693	1.6
137.05962	8.7
137.09575	2.7
138.06316	3.0
145.10078	1.4
147.11711	1.7
148.05196	6.8
149.05954	1.7
149.09644	3.6
151.07477	1.1
161.13248	3.1
165.12721	2.1
167.07082	1.4
171.11641	1.8
173.09070	1.6
176.08281	1.4
180.07872	1.7
181.08603	100.0
187.07286	2.0
189.12811	3.6
195.10175	6.9
195.13783	1.2
197.24146	1.3
199.07335	1.4
200.07655	1.2
207.10214	7.0
207.13707	7.0
214.23685	1.1
224.88025	1.5
225.11246	19.9
225.14777	11.2
243.08678	5.9
243.12305	16.6
243.15987	3.8
244.09395	19.1
245.09909	19.6
378.15253	2.0
379.15793	14.0
380.16370	12.5
422.17957	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	422.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.4
57.12629	0.2
60.97803	0.2
65.02265	0.2
67.05524	0.3
69.03434	0.3
71.02457	0.4
78.03458	1.1
80.05024	3.5
81.07050	0.4
83.04974	0.2
93.07060	0.4
95.08624	0.3
96.04517	1.5
105.07045	0.5
106.02940	0.2
106.95974	0.2
109.06529	0.2
119.08641	0.4
121.06525	0.2
123.08069	0.5
124.03960	100.0
125.04324	1.1
129.07057	0.3
131.08556	0.5
135.08107	0.2
135.11702	0.2
140.03445	0.4
147.08061	0.3
151.07578	0.3
159.11719	0.2
167.07027	0.3
175.07619	0.3
208.49037	0.2
290.06281	0.6
297.48431	0.2
373.53030	0.2
422.18106	23.3
423.18503	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.1812
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.2
55.05513	0.2
67.05476	0.1
78.03452	1.0
79.04210	0.2
80.05018	3.3
81.07068	0.2
83.04988	1.0
91.05489	0.2
93.07038	0.2
96.04506	1.5
105.07014	0.3
107.08594	0.2
122.32821	0.1
123.04454	0.3
123.08105	0.2
124.03960	100.0
125.04276	1.3
133.10149	0.2
137.06013	0.2
137.09642	0.2
147.08044	0.2
149.09602	0.1
151.07578	0.2
159.08040	0.2
163.07550	0.2
171.11732	0.1
175.07597	0.4
177.09151	0.5
193.08615	1.1
205.08653	0.3
205.12216	0.4
217.12254	0.2
233.11749	0.2
235.13275	0.2
241.10509	0.3
251.12794	0.2
263.12875	0.9
269.13931	0.2
281.13815	0.2
281.63898	0.1
299.14853	0.3
330.03809	0.1
422.18103	8.4
423.18369	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	0.3
51.42752	0.2
55.05518	0.3
58.10706	0.2
65.02685	1.3
66.03474	0.3
69.03428	0.3
70.06573	0.4
71.30509	0.4
72.91967	0.2
75.95924	0.2
78.03478	0.3
79.04218	0.3
79.05491	0.3
81.07053	0.5
83.04977	0.4
85.02897	0.2
85.06512	0.2
86.09680	0.2
92.44110	0.2
94.02952	0.5
94.77759	0.2
95.03728	0.9
96.04452	0.3
97.02948	0.3
101.06017	0.4
102.97653	0.2
105.02145	0.8
107.08610	0.4
109.10175	0.3
119.08638	0.5
122.02382	2.1
123.03191	3.2
123.08123	0.3
124.03972	4.0
133.10156	0.5
140.03441	100.0
141.03793	1.1
161.09636	0.2
163.11230	0.2
165.09099	0.3
171.92801	0.2
179.10721	0.2
207.10222	0.6
225.14845	0.4
238.38177	0.3
260.09207	1.7
422.18170	7.8
433.14819	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.181
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50488	0.2
69.03418	0.3
69.09624	0.2
70.49683	0.8
71.04994	0.3
74.20074	0.3
78.03458	1.1
79.04271	0.2
80.05025	3.5
81.07004	0.3
85.02915	0.3
85.76145	0.2
93.07037	0.3
95.04973	0.3
95.08623	0.4
96.04501	1.6
105.07011	0.5
107.08602	0.2
119.08584	0.6
123.08086	0.5
124.03963	100.0
125.04272	1.0
133.10112	0.5
135.08055	0.2
147.11728	0.4
161.09601	0.5
163.11230	0.4
177.12851	0.3
183.10149	0.3
189.12733	0.6
207.13875	0.3
217.12363	0.5
225.14890	0.5
235.13361	0.8
243.16075	0.4
245.11821	0.4
253.14310	0.2
263.12845	0.4
281.13785	1.1
422.18063	3.5
422.23291	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.3679
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42197	2.7
55.05511	40.2
57.07073	34.5
65.03939	3.7
67.05508	28.4
69.03442	7.5
69.07074	61.3
69.26305	6.8
69.26703	24.1
71.08633	24.5
74.09719	3.6
79.05508	14.5
81.07062	57.9
83.04989	45.7
83.08627	37.0
85.10184	14.4
89.06036	10.7
91.05482	12.3
93.07053	25.7
95.04993	3.8
95.08617	67.1
96.52622	2.8
97.10182	18.7
105.07042	26.6
107.08595	29.2
109.06537	5.6
109.10153	31.5
111.08077	8.3
111.11732	14.1
114.91351	3.2
117.07018	5.7
119.08591	34.3
121.06482	4.4
121.10159	21.7
123.08083	17.4
123.11736	21.3
125.06028	3.7
125.13264	4.0
127.07468	3.8
129.06998	3.6
131.08585	10.0
133.08644	7.5
133.10144	21.1
135.08069	12.9
135.11699	13.9
137.05998	34.6
137.09627	13.7
137.13286	6.9
139.07541	8.4
143.08566	9.3
145.10150	20.2
147.11684	18.5
149.09656	11.2
149.13237	10.3
151.07576	8.5
151.11185	6.2
155.07069	7.5
155.08633	2.9
157.10118	12.3
159.11693	17.1
160.08759	3.6
161.09641	25.9
161.13303	16.5
163.14816	5.8
165.09189	7.8
165.12845	4.0
169.10080	4.8
171.11739	8.9
173.13292	9.6
175.11189	13.7
175.14877	10.4
177.12787	4.3
177.16428	4.5
183.11580	5.7
185.13280	9.8
187.14832	5.3
189.12743	20.7
189.16420	9.6
191.18022	9.3
193.12329	4.6
195.11877	4.2
197.13303	3.7
199.14771	5.1
201.16371	6.2
203.14258	3.4
203.18042	5.7
207.13860	7.7
209.13200	3.8
213.16258	4.9
215.14445	5.3
215.18192	3.4
217.19792	3.7
221.43300	3.4
225.16470	3.5
229.15909	4.7
237.16432	5.0
239.14664	3.2
269.22516	3.5
283.20551	3.9
295.24051	3.2
309.25745	11.3
357.35202	4.7
367.33496	4.5
375.36206	39.5
385.34866	14.8
403.35867	71.6
421.35342	100.0
422.35519	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	421.3681
Annotation	3beta,5alpha,6beta-Cholestanetriol
Peak:m/z	Relative Intensity
53.03946	3.2
55.01883	1.9
55.05304	1.5
55.05518	14.6
57.07076	8.4
58.40728	1.2
60.75033	1.2
62.48197	1.3
63.87527	1.4
65.74918	1.2
67.05508	18.5
67.83790	1.3
69.07074	20.4
70.10571	2.2
70.10960	2.8
71.08640	4.4
79.05508	4.4
80.70451	1.2
81.07070	9.8
83.04980	1.5
83.08625	13.8
85.06555	3.7
85.10197	2.4
89.06042	4.0
91.05486	11.9
93.07055	47.8
95.04984	3.5
95.08614	39.1
97.06536	2.9
97.10165	6.1
98.20786	1.2
105.07060	5.9
107.08600	12.7
109.06551	1.3
109.10158	8.3
111.08091	25.5
111.08789	2.0
111.11742	3.3
111.89748	1.3
113.00043	1.5
119.08629	5.7
121.06549	2.7
121.10149	6.0
123.11744	4.1
125.09698	3.5
127.07595	3.3
131.08609	3.4
133.10170	4.3
135.08067	1.7
135.11768	1.5
137.09698	1.2
137.13336	1.3
139.07555	25.9
143.08597	2.3
145.10181	2.6
147.11728	3.5
149.09708	1.5
149.13249	2.4
151.11246	2.3
153.09120	11.2
154.18579	1.3
157.08629	2.5
157.10153	3.0
159.11732	4.1
161.13264	1.8
163.14903	2.6
167.10684	11.6
167.11707	1.2
173.13341	2.9
181.12263	6.1
185.13322	1.5
187.14909	1.9
189.16420	3.3
195.13953	4.7
199.14899	2.0
201.16350	1.5
203.14410	2.5
207.13814	2.2
209.15453	4.7
211.14969	1.5
211.27556	1.3
213.16460	2.1
215.17957	1.5
221.15532	1.3
223.17097	1.9
233.14542	1.3
239.14931	1.3
263.20398	1.4
265.21692	2.0
403.35876	33.5
421.36874	100.0
422.37354	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	421.3468
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	18.8
59.34852	5.0
60.86992	4.5
67.05513	23.3
69.07074	32.4
70.14066	5.4
70.22852	4.7
71.52067	7.6
73.95147	4.4
79.05484	22.9
81.07058	35.9
82.80640	5.2
83.08627	9.5
91.05496	23.7
93.07045	43.7
93.07935	5.5
95.05013	7.4
95.08616	47.0
97.06561	5.6
97.10178	10.1
105.07047	37.1
107.08601	57.1
109.06493	7.5
109.10165	33.1
112.11247	12.2
114.91855	5.9
117.07035	18.2
119.08582	46.0
121.06548	6.1
121.10165	34.5
123.08063	7.6
123.11723	9.1
129.07016	13.7
131.08580	35.2
133.10136	24.5
135.08073	6.1
135.11682	29.8
137.13220	4.7
143.08598	25.1
145.10147	29.1
147.11700	15.2
149.13301	17.4
155.08566	29.0
156.09369	6.5
157.10143	28.8
159.11713	25.8
161.13292	21.0
163.14857	10.1
167.08607	5.5
169.10158	14.0
171.11743	22.5
173.13277	55.0
175.14864	15.7
177.12796	5.8
177.16458	6.2
183.11699	12.7
185.13329	13.0
187.14838	60.3
189.16377	11.7
197.13306	12.2
199.14845	13.6
201.16383	25.3
203.17978	8.8
211.14746	12.9
213.16331	24.8
215.17984	11.7
225.16432	11.0
227.18010	15.5
241.19588	21.7
243.21083	11.7
247.20462	8.6
253.19608	6.8
267.21149	34.0
281.22775	9.2
403.33386	16.0
421.30301	5.0
421.34836	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.3467
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	7.8
57.07076	4.5
67.05505	14.6
69.07071	13.7
70.64697	2.8
71.51139	3.3
71.51512	3.7
79.05498	12.9
81.07066	31.4
83.08628	8.0
91.05480	13.3
93.07056	26.1
95.04985	6.4
95.08623	33.0
97.10201	3.2
105.07060	18.9
107.08603	35.6
109.06486	3.9
109.10172	22.6
111.08040	3.0
117.06988	4.1
119.08580	20.6
121.10148	32.2
123.08078	4.9
123.11705	14.9
125.09648	3.6
125.64945	2.7
131.08603	6.9
133.10130	19.7
135.08067	3.8
135.11696	11.4
137.09633	3.6
137.13228	3.7
143.08560	4.4
145.10110	19.8
147.11670	14.9
149.13271	19.0
157.10135	11.0
159.11700	15.3
161.13249	8.1
163.14827	14.9
165.12766	14.6
169.10225	3.5
171.11684	11.4
173.13284	12.8
175.14844	7.3
177.16389	18.1
183.11687	7.1
185.13290	10.2
187.14845	9.6
189.16336	4.8
191.17850	3.6
197.13181	5.4
199.14836	7.6
201.16385	5.3
203.14316	3.8
209.13333	4.0
211.14861	5.1
213.16341	3.8
215.17908	7.2
227.17953	6.9
229.19702	3.7
239.18098	5.0
241.19514	3.7
257.54153	2.8
259.20575	14.2
269.22733	11.6
283.20621	21.6
283.23795	5.4
309.25607	3.6
310.42035	2.8
311.23825	5.0
403.33630	6.8
421.29401	7.5
421.34708	100.0
422.35214	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	421.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03991	1.8
55.01901	0.8
55.05519	2.6
57.03465	1.2
57.07116	0.7
61.02950	0.5
65.03973	0.8
67.05517	4.0
68.99817	1.0
69.03442	7.3
69.07116	1.8
69.59034	2.2
69.59444	0.9
71.05016	0.6
77.03988	0.5
79.05504	6.9
79.05904	0.5
81.03416	2.5
81.07073	8.3
83.05002	3.3
85.02945	1.5
85.06585	0.6
87.00852	2.7
91.05495	8.1
91.06020	0.6
93.07056	4.4
95.01388	0.4
95.04965	2.2
95.08605	2.5
95.55109	0.4
97.02902	4.0
97.03436	0.4
97.06573	0.9
99.04507	1.3
103.05515	1.4
104.05788	0.5
105.01907	0.7
105.03418	2.4
105.07040	9.3
105.07687	0.6
107.04983	5.1
107.08613	23.2
109.02901	4.7
109.06560	2.9
109.10172	6.9
110.07322	0.5
111.08105	0.6
111.66906	0.4
113.02403	0.6
115.05441	2.0
117.07063	1.7
118.07790	0.6
119.06115	0.5
119.08604	5.1
121.06538	3.0
121.10162	12.7
122.07292	7.4
123.04451	0.6
123.08095	1.3
127.03945	13.2
131.04967	2.1
131.08594	3.7
132.05260	0.5
133.10152	100.0
134.10471	2.2
135.08073	8.1
135.11691	1.5
137.06010	1.2
137.09636	54.7
138.09944	0.6
143.08565	1.0
145.05009	0.9
145.06535	0.5
145.10144	2.2
147.11699	2.9
149.09612	2.9
149.13266	7.6
151.11212	0.6
157.10072	0.5
158.10916	1.5
161.09686	0.6
163.11247	0.5
163.14857	2.2
167.07141	0.6
171.11736	0.7
173.13295	5.4
179.07057	0.4
185.13156	0.6
187.11217	0.7
191.14334	42.9
192.14641	0.8
199.09711	0.5
201.12642	0.5
213.03917	3.9
227.14256	0.5
231.04921	1.6
281.08084	0.5
299.16190	0.5
317.17194	1.5
335.18320	1.2
397.06729	0.4
403.17078	0.7
421.17807	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2954
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	4.9
55.05495	8.4
57.03436	6.8
57.07080	34.1
67.05508	17.0
69.07074	17.7
70.06589	3.1
71.50836	4.6
79.05477	10.7
81.07067	26.1
83.04971	6.5
83.08620	6.0
85.06566	14.7
86.24992	2.6
91.05460	9.5
93.07056	15.5
95.04961	5.3
95.08620	17.7
97.06483	4.1
97.10180	3.7
105.07007	15.2
107.08628	19.2
107.87746	2.8
109.06531	18.7
109.10182	13.4
111.08118	3.7
119.08562	12.6
121.10136	7.8
123.08072	11.2
123.11694	3.0
133.10136	7.8
135.08089	23.9
135.11659	6.8
137.05968	15.9
139.07481	3.1
145.10150	4.9
147.11703	5.7
149.02399	3.4
149.09628	4.0
149.13310	4.0
151.07562	6.1
151.11241	3.8
162.03122	4.0
165.12755	8.3
173.13196	3.1
175.14835	2.8
177.12747	6.9
179.14224	5.3
187.43529	2.7
191.14192	3.5
207.13809	12.1
233.50797	2.9
263.20203	5.0
319.26361	13.7
329.24777	5.7
337.27335	7.6
347.25858	100.0
365.26813	19.6
393.29901	12.9
421.29535	68.2
421.33920	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.311
Annotation	Unknow
Peak:m/z	Relative Intensity
57.06844	0.9
57.07079	8.0
58.06602	2.3
70.06597	20.0
71.08637	1.9
71.50457	1.5
72.08151	1.2
88.07641	21.0
91.05486	6.7
102.09193	16.5
119.04961	2.6
147.04428	81.5
147.05511	5.3
167.73009	1.0
191.07043	100.0
192.07320	1.2
219.06700	1.4
242.74930	1.0
256.26364	53.7
281.59277	1.1
291.54208	1.0
420.31161	90.9
421.31610	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96756	1.8
55.01867	2.9
57.03440	20.5
59.05003	3.8
61.02908	1.9
65.03948	2.9
67.05489	1.7
68.45727	1.9
69.03435	66.3
70.06600	3.7
71.40788	4.1
72.08164	2.9
73.02904	2.8
79.05509	3.4
81.03421	4.6
81.07060	2.0
85.02906	56.5
87.04478	41.8
91.04906	5.0
91.05486	100.0
93.07057	3.3
95.05006	2.9
97.02898	69.1
99.04457	3.7
99.95297	2.0
105.07033	6.6
107.04973	5.9
109.10132	2.1
115.03937	78.2
117.05481	2.0
119.08624	4.5
121.06514	9.3
123.04430	3.7
127.03945	5.6
129.07054	3.0
131.08638	2.2
133.04971	75.0
133.06563	4.7
135.08069	2.4
139.03909	2.8
141.07086	2.0
145.04927	11.8
150.07628	8.6
159.08038	3.0
161.04491	3.2
163.06088	3.5
165.09134	2.3
167.07077	3.6
169.05016	2.2
175.07550	2.8
177.09279	2.7
177.12785	2.0
179.10675	3.6
205.08617	2.1
205.12289	3.9
221.67964	2.1
223.09747	10.5
223.13237	6.3
241.07320	2.0
241.14404	2.7
259.08002	2.3
434.74911	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	420.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	2.4
55.01874	3.3
55.05502	4.3
57.03443	2.4
61.02920	1.7
67.05511	3.5
68.05016	2.2
69.03439	8.6
69.07061	3.4
69.71864	11.4
70.06570	2.3
71.05019	2.2
73.02929	3.7
79.05499	5.3
81.03413	5.4
81.07058	9.6
83.04984	17.1
83.08621	7.5
85.02911	11.4
86.09687	3.1
87.04474	2.4
91.05471	7.2
93.07064	16.0
95.04980	21.4
95.08623	5.0
97.02921	4.7
97.06512	3.0
98.20800	2.1
99.97100	1.8
105.07046	8.6
107.08586	5.7
109.02861	2.0
109.06533	16.5
109.10141	3.6
111.08065	7.0
117.07025	2.6
119.08601	5.5
121.06538	15.5
121.10181	2.1
123.04410	4.0
123.08087	3.8
125.09546	1.8
127.03883	5.2
130.04974	3.2
131.08562	3.6
133.10153	3.8
135.08118	10.1
135.11710	2.0
137.06003	6.2
139.07545	26.7
147.11703	6.4
149.05966	3.1
149.09604	9.7
151.11171	3.8
153.09038	2.2
157.08614	5.4
157.10059	3.4
159.11707	6.9
163.11183	6.8
163.33353	1.9
167.07062	6.1
175.11195	35.5
177.05501	3.4
177.12814	4.1
185.08127	3.0
187.11192	5.9
193.12259	100.0
205.12286	11.9
223.13316	70.1
233.28412	2.0
241.14360	21.6
259.15405	19.1
268.08295	5.7
339.13370	2.1
358.17227	1.9
402.15613	3.1
403.19464	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.3886
Annotation	6alpha-hydroxycampestanol
Peak:m/z	Relative Intensity
53.03962	2.0
55.05514	25.6
57.06833	2.8
57.07083	36.1
59.05005	2.7
63.91044	1.6
67.05507	18.3
69.07071	45.8
71.08277	2.4
71.08636	20.5
71.52679	3.8
72.39066	1.8
79.05504	10.8
80.10207	1.5
81.07068	26.4
82.24257	1.5
83.01345	3.2
83.04991	4.7
83.08623	29.1
85.10194	11.5
91.05482	11.0
93.07035	15.0
95.04980	2.4
95.08620	26.9
97.06556	3.9
97.10165	20.6
99.04475	2.5
105.07024	9.7
107.08595	48.6
109.06522	5.5
109.10154	18.9
111.08088	29.4
111.11725	9.1
111.79982	1.9
117.07026	3.3
119.08559	12.6
121.10156	22.7
123.08077	28.2
123.11732	10.1
125.05999	6.1
125.09644	13.5
125.13272	3.7
131.08578	4.6
133.10136	16.0
135.08064	79.1
135.11682	11.2
137.06017	2.8
137.09642	15.3
137.13223	3.8
139.14803	2.0
140.94562	1.6
143.08624	1.7
145.10173	10.2
147.11696	11.4
149.09616	22.9
149.13283	7.5
153.05487	3.3
153.09116	100.0
157.10158	1.9
159.11703	6.9
161.13225	3.5
163.11206	5.4
163.14821	4.8
165.12750	2.3
171.11674	2.5
173.13268	7.7
174.22302	1.9
175.14777	4.9
177.12784	2.5
177.16406	3.1
179.14333	3.2
187.14876	4.1
191.14322	7.3
193.15945	4.3
200.32599	1.6
201.16418	2.0
205.15854	5.1
207.17468	2.4
219.17528	3.6
240.12311	2.1
251.04768	10.9
283.11084	1.8
307.10910	2.7
317.28537	1.8
345.31729	2.3
363.17145	5.2
374.14978	2.3
383.36636	10.7
389.17627	4.9
390.18192	2.6
401.37851	67.4
401.49725	1.9
402.38449	2.1
403.19254	3.6
404.19937	4.0
419.22678	28.3
419.33801	6.5
419.39041	39.2
420.22360	2.8
428.22113	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.3525
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	4.5
55.01896	3.5
55.05516	19.0
57.07088	37.8
62.53802	3.3
62.92632	3.5
67.05515	18.6
68.24788	3.2
69.07072	36.7
71.08637	24.6
71.52061	5.1
71.52438	3.9
75.97852	3.3
79.05505	18.2
81.07069	26.0
83.04985	4.6
83.08624	26.0
85.06555	3.9
85.10182	12.4
89.06047	8.6
91.05503	15.7
92.31836	3.1
93.07050	9.9
95.08620	26.7
97.10181	17.7
105.07040	11.4
107.08633	27.1
109.06528	25.4
109.10173	15.0
111.11727	9.2
119.08601	5.7
121.06511	6.3
121.10162	8.9
123.08102	5.6
123.11739	7.0
125.05972	10.3
125.09620	7.0
131.08595	10.6
133.10132	5.7
135.04417	10.8
135.08080	9.5
135.11736	8.0
137.05994	100.0
141.05473	9.1
145.10147	6.8
147.11638	7.1
149.02321	4.2
149.05986	10.7
149.09642	5.2
151.07538	17.4
153.05496	9.4
157.10028	4.3
159.11723	6.4
161.09680	5.1
163.11200	5.7
165.09142	6.8
173.13411	3.7
175.14932	4.2
179.10709	4.1
185.35179	4.0
187.11142	3.6
191.10722	5.2
193.12285	10.0
195.94177	3.6
205.12288	11.5
207.13782	4.0
230.12434	3.4
235.16939	3.9
251.04733	8.4
261.18518	3.6
263.20096	8.5
373.34921	3.5
375.16449	3.2
401.34155	78.7
419.22525	11.3
419.34262	12.8
419.39511	26.5
443.33963	4.1
443.40582	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	419.3521
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17913	0.2
55.01862	0.8
56.31857	0.2
57.07072	0.6
59.12580	0.2
61.96656	0.2
65.03927	0.3
67.05491	0.2
71.08616	0.3
71.16356	0.5
77.73420	0.3
79.05502	0.3
85.10203	0.5
96.84307	0.3
99.00830	1.0
99.04455	3.6
111.04444	3.3
125.06004	11.3
141.05463	4.5
153.05475	100.0
154.05811	1.3
167.07042	0.5
186.15726	0.2
285.58688	0.2
413.64893	0.3
419.35214	28.3
420.35568	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.3527
Annotation	17alpha,20alpha-Dihydroxycholesterol
Peak:m/z	Relative Intensity
53.03952	6.4
55.05516	18.0
55.82126	4.8
57.07090	38.8
67.05511	12.3
69.07082	43.2
69.42483	22.6
69.42890	10.9
71.08653	26.4
79.05481	21.0
81.07083	36.8
83.08643	28.4
85.10191	16.3
86.83282	5.0
89.06058	11.0
91.05473	10.7
93.07045	18.8
95.08628	27.5
97.06533	8.5
97.10194	14.1
105.07036	11.9
107.04955	5.7
107.08605	19.2
109.06510	34.2
109.10181	15.0
111.11775	5.2
119.08607	15.7
121.06506	5.6
121.10184	10.4
123.08041	5.8
123.11748	9.2
125.06023	34.3
125.13188	5.2
131.08530	4.6
133.10159	9.0
135.04457	12.2
135.08101	9.3
135.11720	5.2
137.06003	100.0
139.03947	9.7
145.10127	8.0
145.99437	4.1
149.02348	6.0
149.09645	5.6
149.13278	6.5
151.07542	24.9
153.05489	53.6
159.11740	5.6
163.07593	5.3
163.11189	5.7
165.09099	9.4
173.09669	6.8
179.10768	13.3
193.12216	5.2
205.12234	14.1
207.13792	5.5
251.04715	15.3
307.10767	4.8
331.84616	4.3
360.83228	4.4
363.17151	5.9
401.34125	87.2
419.34915	42.9
438.93137	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	419.0977
Annotation	Kaempferol-3-O-alpha-L-arabinoside
Peak:m/z	Relative Intensity
51.10411	0.5
55.01850	0.6
57.03435	0.8
61.02926	1.7
66.41873	0.7
68.99811	0.7
70.86586	1.2
73.02927	11.8
75.23505	0.5
111.00868	0.8
115.03954	1.0
121.02882	2.7
127.02969	0.6
131.04904	0.8
137.02368	1.0
153.01871	4.9
165.01865	2.1
183.02942	1.0
213.05502	1.7
241.04935	0.9
258.05209	0.9
287.05539	100.0
288.05893	2.2
302.60144	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	13.5
55.01862	12.9
55.05505	7.0
57.03433	7.4
57.07076	17.9
59.04996	11.3
61.02924	4.2
65.45019	2.6
67.05508	15.8
68.99798	4.5
69.03088	3.3
69.03436	45.9
69.07074	15.6
71.04996	9.6
71.51892	4.1
72.08159	2.4
73.02912	12.2
79.05495	6.2
81.03426	43.0
81.07056	11.1
83.04996	3.5
83.08619	4.6
85.02913	73.8
85.06544	8.4
87.00830	31.1
88.11700	2.4
88.36129	2.8
91.05482	7.0
93.07053	11.6
95.04975	9.1
95.08616	71.0
97.02903	28.9
97.06548	6.6
98.79848	2.7
99.04475	14.9
99.08092	18.6
103.05466	11.8
105.01883	19.3
105.07017	6.0
107.04956	5.7
107.08630	15.9
109.02890	39.0
109.06520	11.0
109.10167	18.2
111.08098	9.2
111.11710	3.9
112.70358	3.1
113.09660	54.7
115.03935	7.0
115.05386	3.2
117.01865	6.4
117.07008	3.1
119.08591	6.1
121.06524	4.4
123.08120	15.4
125.05978	2.8
127.03933	67.8
127.11186	9.0
129.01819	4.9
131.04950	28.0
131.08578	3.3
133.10204	3.3
135.08066	3.4
135.11691	17.2
137.05994	11.3
137.13261	8.6
145.04953	22.9
145.10143	4.0
147.02910	4.8
151.07576	4.4
153.12759	100.0
155.14320	27.9
158.74522	2.4
159.02934	22.3
161.09682	5.2
162.06796	2.8
163.07545	9.3
167.07083	12.1
168.07365	4.2
171.13864	19.8
173.05907	2.3
177.09090	36.7
179.10651	7.3
181.05026	6.5
213.03912	3.1
221.11766	4.6
223.13290	6.5
231.04999	11.0
287.05530	4.0
300.48941	2.6
401.16055	4.0
419.19223	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.0978
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	1.0
61.02945	1.6
68.99807	0.4
69.03425	0.5
70.39755	0.3
70.40101	0.8
73.02928	11.3
81.03403	0.3
83.49034	0.3
85.02901	0.5
97.02934	0.3
99.71465	0.2
103.05412	0.3
105.03371	0.5
107.04961	0.8
111.00803	0.7
115.03923	0.8
121.02877	4.4
131.04961	1.5
133.02866	0.7
137.02350	0.8
147.04437	0.8
153.01852	3.9
157.06392	0.4
165.01854	2.3
167.07066	0.5
175.03917	0.3
178.83896	0.3
181.04881	0.4
183.02914	1.1
185.06041	0.5
212.79311	0.3
213.05510	1.1
214.85347	0.3
231.06538	1.0
241.05019	0.8
258.05246	1.2
269.04483	0.3
287.05533	100.0
288.05804	2.2
299.05551	2.9
300.06168	0.6
311.05594	0.8
313.07101	0.8
325.06998	0.6
329.06580	2.2
329.10077	0.4
337.06735	0.6
341.06622	0.6
353.06567	2.1
365.06470	0.8
383.07593	3.1
401.08612	1.1
419.09769	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.0503
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96302	2.4
56.96571	40.9
56.96851	2.1
57.03448	2.5
58.38148	1.3
61.02932	1.7
69.03416	3.9
70.80474	4.4
71.01350	2.8
71.95265	1.8
73.02918	1.7
74.97620	1.6
81.03436	2.5
84.96043	37.1
85.02910	5.8
90.85947	1.6
95.69419	1.4
97.02918	4.0
98.97592	85.1
101.00874	2.3
102.97015	2.3
110.97578	65.7
112.99183	7.4
115.02419	1.7
116.98643	18.2
119.01930	2.5
122.97557	4.7
124.95493	4.5
124.99138	4.6
126.97063	3.1
127.03881	1.8
128.98622	37.0
131.00168	3.5
131.01901	1.9
134.99635	2.5
138.97038	4.8
140.98604	9.1
142.96539	2.3
143.00183	17.3
143.01970	2.1
144.98094	4.4
145.04919	1.7
146.99672	6.5
150.97049	23.1
152.98668	3.6
155.01904	2.3
156.98117	16.6
157.03468	1.8
158.99672	11.3
161.01242	8.8
167.02145	1.5
168.98102	43.1
169.98314	1.4
170.99667	11.5
174.99193	14.9
177.00766	4.0
177.05945	1.7
178.96516	13.0
179.02344	3.3
180.98096	4.4
182.99799	2.5
184.97615	4.2
186.99174	18.4
189.00734	6.2
189.76619	1.6
193.00183	3.0
196.97591	65.6
197.03075	1.4
197.97957	1.8
198.99167	20.5
201.00732	11.3
202.98660	3.0
205.00142	1.9
210.99112	2.5
213.34354	1.4
214.98645	97.1
217.00215	27.2
219.01788	53.3
219.03949	2.6
229.00262	2.8
232.99704	58.7
235.01180	4.4
237.02844	35.8
238.00288	1.5
238.98712	3.1
239.04643	1.9
241.00212	1.7
241.06593	2.6
244.99893	1.4
246.99037	2.0
251.00746	6.7
256.99713	12.5
257.05539	1.7
261.02673	1.6
263.88776	1.6
268.99710	5.8
271.01282	3.0
275.00854	18.4
280.99762	6.2
283.01193	7.6
287.00848	3.7
289.07529	1.7
292.99661	4.7
299.00705	8.6
301.02335	4.6
311.00867	4.3
312.50708	1.8
313.02377	12.1
315.00229	2.0
317.01880	3.2
323.00757	6.0
327.00681	1.6
329.01810	3.2
331.03333	4.2
341.01819	86.8
342.02167	2.0
345.01260	20.8
359.02875	100.0
363.02362	2.6
377.03979	26.9
377.08658	2.8
382.04755	2.1
383.08688	3.7
419.00333	1.7
419.04910	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	418.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01807	0.9
57.03426	1.5
59.96779	1.0
61.02919	1.8
69.03413	2.6
70.06591	1.5
71.07609	0.9
71.07950	1.8
72.08156	2.7
81.03421	1.7
85.02911	10.0
86.09721	1.5
86.82410	0.8
87.04452	1.6
89.06033	73.9
97.02891	3.3
107.04926	1.4
109.02860	1.9
124.07592	2.2
127.03902	1.7
133.08609	36.0
134.06056	1.0
137.05930	0.9
138.09167	1.0
145.04959	1.3
150.09122	1.0
150.87564	0.8
151.09633	3.4
154.45638	0.9
177.11191	4.9
195.12253	2.3
221.14101	1.0
238.10703	1.7
239.14896	100.0
240.15182	1.4
256.11865	5.7
338.90555	0.8
369.11932	0.8
380.43585	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.3897
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	0.7
57.06839	0.4
57.07085	5.9
58.06607	2.9
67.05511	0.8
68.05035	0.6
70.06602	20.9
71.08646	2.9
72.08163	2.9
72.60770	0.4
79.05466	0.5
81.07063	1.0
84.08150	2.4
85.10188	1.4
86.06081	0.5
86.09717	3.6
88.07639	5.4
89.06039	0.7
91.05477	0.6
95.08662	0.5
98.21561	1.4
102.09203	2.6
107.08640	0.5
119.08596	0.7
132.10220	9.4
146.11789	9.5
164.49957	0.4
168.44640	0.4
230.29865	0.5
268.30008	1.8
294.31586	2.1
312.32620	8.1
356.35269	40.5
357.35846	1.1
363.06116	0.4
400.37970	0.8
418.38980	100.0
419.39224	3.7
421.99570	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.5
56.05061	1.3
56.96576	7.7
57.03441	2.4
60.10402	1.3
61.02935	2.7
62.06083	3.1
69.03437	7.4
69.23858	5.2
69.24287	5.6
70.06596	3.1
71.01362	2.0
71.04980	2.1
72.08154	2.9
73.02893	1.4
79.05527	1.9
81.03424	3.2
84.04519	2.0
84.08151	2.6
84.96045	3.8
85.02913	13.5
86.09705	2.8
87.04488	1.8
88.39240	1.1
91.05524	1.8
93.07047	2.1
95.04986	1.6
97.02906	6.9
98.20786	2.0
98.97594	14.1
99.04436	2.3
103.05479	8.2
105.07021	1.2
107.04970	2.6
109.02844	1.4
110.97589	4.1
116.98637	4.7
119.04913	1.5
120.08116	100.0
121.01742	1.1
121.08441	1.8
122.06126	1.2
124.07596	3.5
126.46145	1.2
127.03937	3.5
128.98621	3.5
131.04958	2.8
137.05992	2.8
140.07056	3.4
143.00142	1.7
145.04970	2.9
146.99683	1.9
147.04341	1.3
147.07811	1.7
149.05968	2.4
158.99704	3.1
166.08662	39.6
167.07010	2.5
177.00769	3.3
201.00760	1.3
219.01811	5.4
227.06818	1.7
237.00691	1.2
237.02895	5.4
238.01672	5.1
250.55803	1.1
256.02606	2.1
256.11771	2.1
260.07306	3.3
314.05692	1.3
418.17755	8.9
419.14856	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	418.1249
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	2.9
69.18993	12.4
69.19408	3.0
70.06573	1.3
73.02909	5.0
79.05490	2.0
80.33088	1.2
85.02904	1.5
88.71605	1.4
89.97035	1.3
95.04954	1.4
103.05431	3.8
107.04939	2.8
119.08564	1.8
121.02850	2.5
123.04422	2.0
131.04935	2.8
140.04947	4.6
146.06827	1.6
154.06503	1.9
155.04866	1.8
155.06064	22.5
167.05858	3.2
167.07193	12.4
168.07468	8.5
169.06252	2.5
169.07631	41.8
169.09039	2.2
170.05994	3.4
173.06041	1.9
179.06075	13.3
180.04405	1.3
181.05058	8.7
181.07582	4.4
182.05336	2.9
182.08415	1.8
183.05553	18.5
183.09196	2.9
185.07147	9.0
190.70836	1.4
191.07001	1.8
193.07634	15.1
194.05962	1.7
195.05547	33.6
196.06339	14.8
197.07140	28.0
198.05550	9.3
198.07193	1.4
207.05576	9.1
209.07144	5.6
211.05090	6.6
211.08685	8.5
213.06615	22.5
221.07130	24.1
222.07892	1.6
223.05159	3.3
225.06598	50.8
226.06946	1.4
227.08115	2.0
229.06091	19.2
233.07976	1.8
237.06596	5.6
238.07390	4.9
239.04518	3.4
239.08167	27.0
239.12888	2.1
241.06041	5.3
243.07573	5.1
249.06644	9.6
251.08183	1.4
253.06111	17.8
255.07666	3.8
256.08386	1.9
256.11469	1.8
257.05585	5.9
265.06064	4.0
267.07660	21.8
269.05579	4.5
271.04309	2.4
271.07150	30.3
276.55823	1.5
277.06119	12.4
285.08713	37.6
287.05536	36.3
295.07187	37.4
299.05368	2.2
312.09583	2.8
313.04663	2.8
313.08194	47.8
313.11798	2.6
329.06516	1.6
331.09283	15.2
340.09222	6.1
353.06400	2.4
354.10703	4.8
358.10367	50.3
372.11740	4.2
382.10413	7.6
383.07629	2.6
388.14752	3.0
400.11465	57.3
400.16690	3.5
401.11807	1.7
409.97650	1.5
418.12350	100.0
419.12915	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.3727
Annotation	gamma-Tocopherol
Peak:m/z	Relative Intensity
53.03936	0.5
55.01874	7.2
55.05517	0.7
57.07072	1.2
65.09390	0.5
65.42187	0.5
67.05494	1.6
69.07065	1.4
71.08645	0.8
71.51424	0.9
79.05486	0.7
81.07071	2.5
83.08616	1.1
89.06573	0.5
91.05492	1.1
93.07032	1.1
95.08601	2.9
97.02895	19.6
97.10185	0.5
99.04460	1.3
105.07041	1.3
107.08572	1.1
109.06496	0.8
109.10168	1.7
111.04478	0.7
111.08059	0.8
115.03941	6.5
121.10117	1.3
123.08060	0.6
133.06468	0.8
133.10136	1.0
135.11743	0.6
139.27736	0.5
151.07549	33.2
152.08214	1.0
165.09109	10.2
169.08601	12.9
179.10704	4.7
192.08447	0.5
192.10223	1.5
193.12302	3.4
205.31609	0.5
207.13774	2.9
221.15407	1.6
235.16985	0.9
249.18535	0.8
270.03885	0.5
341.91849	0.5
399.32947	0.6
417.37289	100.0
418.37561	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	417.2488
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28312	0.6
53.03939	1.2
55.01867	1.0
55.05520	1.1
58.75462	0.7
65.03938	3.2
67.05506	3.6
69.03421	2.0
69.07056	0.9
71.11761	1.5
78.04713	2.5
79.05511	3.8
81.03449	1.0
81.07037	1.8
82.04217	1.3
82.19388	0.7
83.04972	0.8
85.02901	3.5
90.45203	0.7
91.05481	3.7
93.03423	1.1
93.07040	1.5
95.04955	3.3
95.08648	1.6
97.06512	1.9
103.05467	6.3
105.06998	2.4
106.04164	2.2
107.04965	5.3
107.08599	2.1
108.02144	0.8
109.10115	1.3
110.03660	1.5
111.04437	1.3
115.05450	3.3
117.07016	6.8
118.04204	1.0
119.08535	1.4
121.10149	1.4
123.04439	6.4
124.05241	2.6
125.06010	0.8
131.04953	6.0
131.08524	0.8
133.06517	1.2
133.10146	1.6
135.08012	0.9
135.11691	0.7
137.05991	1.3
138.03123	0.9
145.06482	7.8
145.10124	1.4
147.11626	0.9
148.05219	2.6
149.05946	0.7
151.03923	1.7
152.04680	2.8
153.05495	1.8
155.06046	4.3
159.07962	0.7
161.13275	1.2
163.07549	3.3
167.07051	100.0
168.07394	2.3
171.06502	1.8
173.06013	14.9
181.04973	43.8
182.05377	1.2
191.07054	10.4
195.06505	1.2
201.16460	1.1
205.08554	3.7
207.06532	0.9
219.17488	1.8
233.08078	8.3
235.09711	3.6
322.72507	0.8
345.94678	0.8
372.12219	0.7
381.13455	1.3
387.14444	10.0
417.10205	1.0
417.15549	21.4
417.20914	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	417.1546
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70716	0.6
52.59595	0.5
53.03933	1.0
55.01878	1.0
57.09151	0.6
59.41446	0.5
65.03945	3.8
67.05490	2.4
69.03442	1.3
69.07033	0.7
69.37867	4.9
78.04717	3.1
79.05511	3.9
81.03431	0.6
81.07047	2.4
81.60570	0.6
82.04197	1.6
85.02905	2.6
91.05480	2.4
93.03398	1.2
93.07032	0.8
94.04131	0.6
95.04962	2.0
96.18127	0.6
96.57662	0.6
97.06537	1.3
99.04462	0.8
99.08105	1.0
103.05468	7.0
105.07020	2.3
106.04169	2.2
107.04965	8.8
107.08636	0.7
109.10175	0.7
110.03658	2.1
115.05455	5.4
117.07026	6.2
118.04166	1.2
119.04900	0.7
119.08536	0.9
121.06505	0.8
122.03613	0.9
123.04433	8.3
124.05198	2.7
125.06062	1.3
127.05456	1.3
128.06172	0.9
130.04173	1.1
131.04915	4.7
131.08556	1.3
133.06490	1.8
133.10146	0.7
134.03629	1.1
135.08061	0.8
137.05974	0.8
138.03101	1.4
142.02588	1.2
145.06493	6.6
148.05212	4.1
151.03915	1.5
152.04691	2.6
153.05499	2.2
155.06039	3.4
161.05969	1.1
163.07562	5.8
167.07051	100.0
168.07324	1.1
171.06561	2.3
173.05998	15.4
176.04716	1.1
181.04968	52.6
187.07507	0.9
191.07043	17.5
193.08656	1.8
195.06540	1.4
201.05492	1.1
205.08566	3.7
207.10104	0.8
217.08563	1.4
219.10146	1.1
233.08113	8.6
235.09666	4.2
237.18646	0.7
247.07559	0.9
283.09448	0.8
325.10779	0.8
327.18518	0.8
381.13345	1.2
385.13004	1.1
387.14383	11.7
399.14474	2.2
417.15482	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	417.2488
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28312	0.6
53.03939	1.2
55.01867	1.0
55.05520	1.1
58.75462	0.7
65.03938	3.2
67.05506	3.6
69.03421	2.0
69.07056	0.9
71.11761	1.5
78.04713	2.5
79.05511	3.8
81.03449	1.0
81.07037	1.8
82.04217	1.3
82.19388	0.7
83.04972	0.8
85.02901	3.5
90.45203	0.7
91.05481	3.7
93.03423	1.1
93.07040	1.5
95.04955	3.3
95.08648	1.6
97.06512	1.9
103.05467	6.3
105.06998	2.4
106.04164	2.2
107.04965	5.3
107.08599	2.1
108.02144	0.8
109.10115	1.3
110.03660	1.5
111.04437	1.3
115.05450	3.3
117.07016	6.8
118.04204	1.0
119.08535	1.4
121.10149	1.4
123.04439	6.4
124.05241	2.6
125.06010	0.8
131.04953	6.0
131.08524	0.8
133.06517	1.2
133.10146	1.6
135.08012	0.9
135.11691	0.7
137.05991	1.3
138.03123	0.9
145.06482	7.8
145.10124	1.4
147.11626	0.9
148.05219	2.6
149.05946	0.7
151.03923	1.7
152.04680	2.8
153.05495	1.8
155.06046	4.3
159.07962	0.7
161.13275	1.2
163.07549	3.3
167.07051	100.0
168.07394	2.3
171.06502	1.8
173.06013	14.9
181.04973	43.8
182.05377	1.2
191.07054	10.4
195.06505	1.2
201.16460	1.1
205.08554	3.7
207.06532	0.9
219.17488	1.8
233.08078	8.3
235.09711	3.6
322.72507	0.8
345.94678	0.8
372.12219	0.7
381.13455	1.3
387.14444	10.0
417.10205	1.0
417.15549	21.4
417.20914	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	417.1548
Annotation	Comazaphilone E
Peak:m/z	Relative Intensity
53.03938	1.2
53.74165	0.6
55.01855	1.2
65.03927	2.5
67.05481	2.2
69.03408	1.8
69.07063	0.9
70.79346	0.8
70.79670	1.0
77.03912	0.6
77.39956	0.5
78.04700	2.7
79.05499	4.7
81.03425	0.9
81.07053	2.4
82.04179	1.0
85.02926	2.9
90.04808	0.6
91.05453	2.5
93.03384	0.8
93.07037	1.3
95.04951	1.7
95.08610	0.9
96.10513	0.6
97.06512	0.9
103.05482	7.4
105.07036	1.3
106.04165	2.1
107.04969	8.2
107.08583	1.3
109.10148	1.1
110.03661	2.0
111.04485	0.7
111.08046	0.6
115.05457	3.9
117.07034	5.6
118.04139	1.9
119.04924	1.0
119.08562	1.1
121.06495	0.9
121.10187	0.9
123.04432	7.5
124.05226	2.2
125.05996	2.0
127.05500	1.0
130.04137	0.9
131.04938	8.2
131.33237	0.6
133.02841	0.7
133.06482	1.0
134.03665	0.9
137.06033	1.3
138.03119	0.9
142.02600	1.8
145.06493	7.9
146.03612	0.7
147.04425	0.7
148.05167	2.6
151.03906	1.8
152.04713	2.4
153.05493	1.4
155.06027	3.3
156.24083	0.6
163.07588	5.0
167.07048	100.0
168.07390	1.6
171.06494	2.5
173.06000	14.2
175.07491	0.7
176.04636	0.7
181.04964	50.4
182.05374	1.1
191.07045	15.7
195.06548	2.1
205.08612	2.6
217.08713	1.2
219.10130	1.1
225.07654	0.7
233.08080	9.6
235.09700	3.8
239.63429	0.6
245.08127	0.9
313.16193	0.6
325.10672	1.1
329.10281	1.1
357.13620	1.1
371.14941	0.8
381.13098	1.2
387.14423	12.0
394.94434	0.6
399.14777	1.6
417.15509	24.7
417.20969	2.6
418.15723	1.2
431.63849	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1546
Annotation	Comazaphilone C
Peak:m/z	Relative Intensity
53.03954	1.5
55.01875	1.1
55.05513	0.5
65.03944	3.4
67.05494	2.4
69.03430	1.7
69.07093	0.4
70.06564	0.5
71.39468	0.4
71.51334	0.7
77.03951	0.5
78.04717	3.1
79.05502	4.4
81.03426	0.7
81.07066	1.4
82.04198	1.4
82.14340	0.5
83.05004	0.5
83.33686	0.4
84.08165	0.6
85.02917	3.4
86.09731	0.5
91.05502	2.9
93.03422	1.2
93.07056	1.7
95.04976	1.9
95.08624	1.2
97.02885	0.8
97.06551	1.3
101.89909	0.5
103.05471	7.7
105.03387	0.7
105.07025	2.0
105.99819	0.4
106.04184	2.2
107.04972	7.4
107.08580	0.9
109.02898	0.6
109.06532	0.6
109.10181	0.8
110.03670	1.3
111.04407	0.5
111.08055	0.7
115.05446	4.0
117.07025	5.8
118.04160	1.4
119.04973	1.0
119.08594	0.9
121.02897	0.5
121.06547	0.7
121.10146	0.7
122.03661	0.7
123.00769	0.6
123.04436	6.7
124.05212	3.3
125.05994	1.5
127.05449	1.2
129.07048	0.6
130.04202	0.6
131.04942	5.7
131.08600	0.6
132.05733	0.8
133.02802	0.7
133.06467	1.2
133.10121	1.1
134.03629	0.6
135.04442	0.6
135.08052	0.7
135.11717	0.5
137.05978	1.3
138.03102	0.9
140.04637	0.6
142.02623	1.2
144.05727	0.6
145.05415	0.8
145.06493	9.2
145.10129	0.8
146.03679	0.7
147.04436	0.6
147.08025	0.5
147.11636	0.6
148.05185	3.3
151.03891	1.7
151.11118	0.8
152.04715	2.3
153.05467	1.2
155.06052	3.1
156.05592	0.6
157.06474	0.7
159.07976	0.8
161.05940	0.8
163.07542	4.7
167.07047	100.0
168.07359	1.4
169.12144	0.7
171.04405	0.6
171.06526	1.6
173.05988	15.4
175.07576	0.6
177.05417	0.6
177.12704	0.5
181.04967	43.2
183.04337	0.4
184.05151	0.5
185.06114	0.5
187.07552	1.1
189.05391	0.4
190.06157	0.6
191.07040	17.4
193.08582	0.9
195.06483	1.3
201.05479	1.6
205.06911	0.6
205.08614	3.1
207.10088	0.7
217.08641	1.1
218.05511	0.6
219.10173	0.7
220.10922	0.5
221.08072	0.7
233.08104	9.3
235.07623	1.0
235.09627	3.3
245.08083	0.6
263.06815	0.7
263.09344	0.6
295.09497	0.6
307.09589	1.2
337.10297	0.5
339.12347	0.5
355.11353	0.6
357.13037	0.8
367.11847	0.7
371.14786	0.8
373.18185	1.9
381.13177	1.1
385.12665	1.1
387.14374	12.7
399.14313	1.7
417.15439	27.9
418.16071	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1186
Annotation	Galangin 3-rhamnoside
Peak:m/z	Relative Intensity
52.81614	0.1
55.05487	0.1
65.03931	0.2
67.01861	0.4
68.99821	0.3
69.03407	0.1
69.29103	0.6
69.29522	0.4
77.37347	0.1
79.05492	0.2
85.02910	0.3
91.05499	0.6
98.21477	0.2
103.05476	0.3
105.06985	0.1
106.04199	0.2
107.04962	0.4
111.00841	0.1
115.05426	0.1
117.07006	0.3
119.04951	2.0
121.02898	0.6
123.04456	0.3
124.05129	0.2
131.04942	0.2
138.03065	0.1
141.06973	0.1
145.02858	0.4
145.06499	0.5
153.01845	4.9
155.06032	0.2
163.03902	0.4
163.07552	0.2
167.07060	4.8
171.02901	0.3
173.05963	0.9
181.04977	2.3
187.03981	0.2
191.07072	0.6
203.07115	0.1
205.08568	0.2
225.05437	0.2
229.04953	0.3
233.08098	0.4
235.09744	0.1
243.06522	0.2
254.05768	0.1
271.06036	100.0
272.06345	1.7
286.40985	0.1
315.99728	0.1
387.14331	0.6
417.11087	0.2
417.15723	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.155
Annotation	Comazaphilone C
Peak:m/z	Relative Intensity
50.72177	0.5
51.90534	0.4
53.03944	1.1
55.01874	1.5
55.05510	0.9
57.03430	0.4
65.03953	3.2
67.05495	2.3
69.03423	1.5
69.07056	0.5
71.51699	0.9
72.08171	0.6
78.04710	2.8
79.05500	4.5
81.03399	0.9
81.07051	1.1
82.04185	0.8
83.04961	0.6
85.02905	2.2
86.09726	0.7
87.29391	0.5
91.05495	2.4
93.03426	0.7
93.07058	0.7
94.04196	0.5
95.04984	2.1
97.02921	0.7
97.06532	1.3
103.05482	5.6
105.03407	1.2
105.04528	0.5
105.07040	2.2
106.04172	2.0
107.04984	8.1
107.08601	0.6
109.06532	0.7
109.10156	0.6
110.03651	1.1
111.04462	0.7
111.08073	0.6
115.05466	4.3
117.07041	6.0
118.04150	2.2
119.04955	0.8
119.08569	0.8
121.06551	0.9
121.10172	0.6
123.04438	7.5
124.05219	3.0
125.05997	1.6
127.05437	0.9
128.06210	0.5
130.04204	0.5
131.04956	4.3
132.05766	0.6
133.02921	0.7
133.06502	1.2
134.03665	1.0
134.15723	0.5
135.04382	0.7
137.06010	0.8
138.03136	0.9
139.07584	0.8
142.02676	1.0
145.06512	8.5
147.04448	0.7
148.05159	3.0
149.05946	0.8
151.03949	1.2
152.04735	2.7
153.05505	1.8
155.06070	3.7
156.05702	0.6
157.06563	0.7
161.06035	1.4
163.07597	3.5
167.07065	100.0
168.07457	0.8
171.06577	1.7
173.06010	14.9
174.06334	0.5
175.07567	1.0
179.07021	0.5
181.04985	47.7
182.05324	0.8
187.07516	0.7
191.07063	15.4
191.08794	0.9
193.04970	0.6
193.08698	0.6
195.06590	1.3
201.05444	0.7
205.08682	3.5
207.06497	0.6
207.10175	0.7
217.08585	1.1
218.06021	0.5
219.10284	0.8
221.07977	0.6
233.08134	8.7
235.09705	3.7
237.18506	1.4
263.09299	0.7
307.09720	0.7
323.09137	0.6
329.10181	0.7
356.12793	0.8
357.13306	0.9
371.14899	0.7
381.13297	1.1
385.13065	0.5
387.14426	11.4
388.14853	0.5
396.87943	0.5
399.14435	1.8
417.15497	23.2
418.15826	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.3573
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.7
55.01873	2.4
55.05515	15.1
57.07077	3.4
64.89165	1.6
67.05510	28.9
69.07072	31.2
70.92361	3.8
71.08636	2.0
79.05493	10.9
81.07064	41.4
83.08615	11.4
85.06548	3.6
91.05484	5.8
93.07050	23.0
95.08614	100.0
97.02905	5.0
97.10173	6.0
105.07037	9.1
107.08604	35.8
109.06511	2.2
109.10161	99.1
110.10545	1.9
111.11732	8.8
119.08573	15.2
121.10149	34.6
122.10542	1.6
123.08071	5.9
123.11709	19.7
130.02451	1.8
133.10126	7.3
135.11705	19.8
137.13239	8.6
141.09174	2.3
145.10149	2.7
147.11711	5.7
149.13274	14.7
151.07567	9.1
153.09103	3.7
161.13278	5.7
163.14844	13.1
165.09134	3.2
167.10692	3.4
169.08600	2.6
173.13219	2.6
175.14833	2.1
177.16412	10.5
179.14407	2.0
181.12305	2.4
189.16318	2.9
191.17934	13.6
193.12320	2.1
195.13736	4.4
203.17958	5.7
205.19533	26.8
209.15395	3.6
217.19516	3.7
219.21126	2.8
221.15233	1.8
223.16971	3.4
233.22610	2.0
295.89865	1.8
319.26215	4.8
415.35678	52.6
429.94861	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1289
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93275	1.3
53.03931	2.4
55.01867	5.3
55.05490	3.3
56.96293	2.6
56.96562	26.7
57.03438	10.7
59.04992	4.0
60.95830	1.4
61.02931	7.7
62.06093	7.8
67.05503	1.8
69.03436	26.7
69.07055	1.4
69.90473	2.2
69.90867	3.9
70.06594	4.8
71.01359	11.1
71.04992	4.0
71.95257	2.2
72.08157	6.9
73.02920	8.0
81.03430	7.6
81.07058	2.0
83.04995	2.6
84.04510	1.9
84.96046	9.9
85.02908	49.3
86.03235	3.1
86.06075	2.5
86.09702	2.4
87.04480	6.8
89.10790	1.6
91.03962	4.1
91.05508	2.8
93.07047	1.9
94.06611	1.5
95.01331	1.7
95.04935	2.7
96.73345	1.2
97.02896	28.4
98.97591	100.0
99.03871	1.4
99.04455	7.2
101.00890	24.7
101.02393	2.3
102.00954	2.0
102.96874	1.8
103.00647	2.5
103.03930	2.0
104.01269	1.9
105.07044	2.8
106.04972	1.6
107.04948	3.4
109.02895	4.7
110.01392	2.3
110.97596	15.0
111.02066	3.0
112.99149	7.5
113.00864	7.0
113.02393	4.9
115.02428	4.3
115.03905	2.8
116.98625	33.0
117.04084	1.5
119.01926	33.3
120.02634	1.9
121.01670	1.9
123.04403	2.1
124.47689	1.3
124.99150	4.4
127.00710	2.1
127.02430	3.1
127.03930	19.2
127.98515	1.3
128.98601	15.8
129.01883	2.4
129.03142	3.8
129.04005	1.9
129.05457	1.8
129.06949	1.5
131.00191	6.6
131.01897	11.5
133.01608	2.4
133.03444	4.6
134.99672	7.4
137.02979	2.8
137.05989	6.3
138.05498	1.6
139.02411	3.3
140.00151	2.1
140.98604	2.1
143.00163	10.9
143.01910	7.8
144.98116	3.4
145.01671	3.3
145.03519	7.8
145.04961	10.0
146.99672	5.3
149.01201	5.8
150.05475	2.3
151.03925	2.1
153.05733	2.0
155.00182	3.8
155.01897	5.9
155.04596	2.7
156.98094	2.7
157.03488	40.3
158.03706	2.9
158.99670	14.9
159.01353	2.2
159.03227	3.9
159.05104	1.7
161.01225	14.6
161.03012	8.6
163.02728	3.0
163.04460	4.1
165.02419	1.8
167.02144	3.3
167.07051	4.1
169.03482	6.2
170.99661	6.6
171.01163	2.2
171.06590	1.6
172.06796	1.5
173.01260	6.3
173.02870	7.0
174.99149	3.8
175.02837	2.1
175.04533	21.6
176.03221	1.7
177.00777	9.2
177.02168	1.3
177.04195	3.3
179.02290	20.8
181.03580	2.3
181.05476	1.6
183.01395	1.7
184.05867	2.0
185.02921	7.2
186.04695	2.1
187.00858	2.6
187.02788	2.2
187.04529	3.7
189.00755	3.8
189.06279	2.0
191.02266	4.1
192.04710	11.6
192.54868	1.7
193.03659	2.3
195.01546	2.0
197.03169	12.6
199.02675	2.0
201.00751	6.0
201.02455	2.6
201.05196	3.5
203.02248	2.1
203.03984	5.0
204.05042	1.2
205.03885	2.7
205.05620	8.8
209.03108	3.5
210.99118	2.1
211.00928	4.9
211.04425	1.8
213.02477	2.1
213.04349	2.8
213.54663	1.9
214.03114	3.1
215.04082	2.2
219.01793	17.1
221.03276	19.1
221.05022	2.5
223.01131	1.9
223.04930	2.4
223.06660	62.9
224.06908	2.0
225.06267	2.6
227.04091	2.3
229.00073	2.6
235.01056	2.6
235.04858	1.9
237.02747	17.2
239.02258	1.5
239.04366	41.4
241.01981	2.1
241.05548	2.1
241.07579	7.7
243.06328	4.9
243.08899	2.5
243.59453	2.0
245.05206	9.0
245.11293	1.4
251.04181	2.2
253.08290	2.2
256.04434	2.9
257.05493	3.2
260.04553	1.7
260.08301	2.0
261.02844	2.8
263.06223	3.8
264.06964	3.0
265.07715	78.2
266.07870	3.4
267.03580	1.9
267.07535	2.7
271.06921	8.7
277.08002	1.8
279.06097	3.1
279.09183	18.2
281.05447	6.0
282.07968	2.4
283.08914	2.1
287.05502	3.2
289.07709	3.2
293.07385	2.3
295.08990	8.9
305.05307	3.2
307.03357	1.8
307.08685	6.3
317.07224	7.9
324.10825	1.7
325.08356	2.7
329.03647	2.5
335.07803	2.4
340.06192	2.8
355.07758	6.6
365.09192	5.5
367.10645	2.0
373.04526	3.2
379.07458	2.1
383.08670	5.1
397.11136	15.6
415.10672	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	414.3579
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03962	1.3
55.05518	21.9
56.59206	1.3
57.07077	13.8
58.06591	1.8
66.34358	1.5
67.05496	5.9
69.06733	2.7
69.07072	32.2
71.08631	8.1
71.51455	2.4
79.05489	2.9
81.07069	8.4
83.08619	26.4
85.10172	4.3
85.86906	1.5
93.07045	4.3
95.08624	8.9
95.30915	1.5
97.10177	22.2
100.05720	1.5
102.05551	13.4
104.07111	100.0
107.08590	2.7
109.10177	6.0
111.11713	10.6
119.08566	3.0
121.10170	4.1
121.15000	1.4
123.11684	2.0
125.13271	4.0
128.49176	1.7
135.11716	3.7
137.13242	1.4
139.14801	2.2
147.48669	1.7
149.13261	2.3
163.14905	2.0
194.95183	1.4
275.27362	2.3
293.28268	7.5
396.34583	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	415.1008
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96567	27.6
57.03432	14.1
61.02927	17.2
62.06106	51.0
68.70182	8.9
69.03419	30.5
69.44222	76.8
71.01362	17.3
73.02922	14.8
74.56197	9.2
81.03401	23.4
85.02919	74.7
87.04486	15.7
91.33399	9.3
91.71143	9.0
97.02887	27.2
98.20773	19.9
98.97604	94.3
101.00867	36.1
110.97577	18.9
112.99170	13.3
113.00863	13.8
116.98605	16.1
119.01916	41.4
120.02576	10.7
127.03939	12.6
128.98654	12.2
143.00163	17.2
143.01898	17.9
145.03397	10.1
155.01799	16.5
157.03485	48.7
158.99683	18.9
161.01273	14.4
175.04517	21.3
192.04724	26.3
197.63771	11.1
201.00732	14.5
205.05635	11.0
211.05345	10.9
219.01790	24.3
223.06653	97.7
237.02705	15.4
239.04315	24.3
265.07831	100.0
279.09277	34.1
317.07291	15.8
362.62711	11.1
397.11624	24.2
411.94006	11.7
415.10077	66.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.3781
Annotation	Poriferasterol
Peak:m/z	Relative Intensity
55.05516	40.8
57.07078	25.6
67.05517	36.8
69.07078	70.6
71.08650	22.2
79.05492	30.7
81.07065	74.2
83.08620	22.6
85.10166	13.9
91.05492	33.7
93.07061	51.1
95.08610	80.2
97.06535	12.6
97.10166	20.4
105.07039	66.8
107.08601	50.4
109.10175	43.8
111.11742	12.0
117.07018	18.1
119.08612	31.2
121.10131	30.5
123.11725	20.9
125.13274	7.3
131.08618	38.8
133.10123	43.9
135.11713	32.2
137.13271	14.3
145.10144	52.6
147.11719	34.0
149.13278	14.4
157.10115	19.8
159.11711	99.4
161.13268	54.5
168.02235	7.8
171.11690	24.3
173.13263	29.0
175.14844	13.8
177.12775	19.5
185.13208	13.9
187.14841	20.8
199.14787	31.5
201.16379	18.5
213.16415	30.0
241.19604	9.0
255.20969	12.7
273.22278	7.8
395.36719	100.0
407.13574	6.1
413.32840	23.4
413.37766	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	413.3414
Annotation	10Z,13Z,16Z,19Z,22Z,25Z-octacosahexaenoic acid
Peak:m/z	Relative Intensity
55.05503	5.0
56.92575	1.2
57.07069	2.5
59.04987	1.9
67.05505	10.5
69.07068	10.1
71.53267	2.0
71.68265	1.3
79.05499	5.3
81.06602	1.5
81.07056	19.4
83.08620	3.6
91.05466	3.8
91.31483	1.1
93.07028	8.6
95.08611	35.2
97.10197	2.5
105.06989	6.3
107.08599	14.0
109.10165	26.8
111.11716	3.2
117.07030	2.4
119.08577	5.3
121.10146	19.0
123.08091	2.3
123.11691	9.8
131.08621	2.9
133.10123	4.4
135.11705	9.8
137.09622	2.6
137.13287	8.2
143.08611	1.3
145.10141	4.2
147.11696	3.9
149.13290	8.0
149.56821	1.3
157.10223	3.1
159.11729	5.2
161.13264	5.4
163.14787	5.2
165.09058	1.8
165.12764	4.2
173.13319	1.8
175.14906	1.8
177.12813	1.7
177.16406	2.0
185.13266	1.6
187.14767	1.7
193.12267	12.8
196.51039	1.6
205.19580	5.8
213.16336	1.4
241.19516	1.8
253.57558	1.2
303.23337	1.6
395.36786	8.3
413.34076	100.0
414.34433	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	413.3781
Annotation	Adiantone
Peak:m/z	Relative Intensity
52.46766	1.5
53.30647	1.9
53.79854	1.3
55.05503	4.4
57.07077	3.3
67.05498	4.7
69.07077	10.3
71.08631	5.6
71.47481	1.4
71.51511	2.4
75.04781	1.5
79.05500	10.6
81.07055	15.7
82.51057	1.5
83.04973	6.6
83.08641	2.8
85.10196	2.3
85.53106	1.7
91.05454	3.7
93.07041	6.0
95.08618	12.4
97.06539	90.0
97.10189	4.2
105.07008	3.7
107.08601	4.6
109.06526	100.0
109.10155	8.9
111.11723	3.8
111.79087	1.4
119.08580	3.4
121.06522	2.1
121.10162	5.4
123.08086	8.8
123.11662	4.1
131.08568	2.3
133.10075	2.4
135.11716	2.3
137.02122	1.7
143.12891	1.8
145.10095	3.2
147.11690	3.5
149.13258	2.9
159.11700	3.5
161.13177	2.7
161.53145	1.5
163.11183	3.1
165.54535	1.4
201.16571	2.2
395.36850	8.3
413.32437	7.7
413.37769	63.5
414.38315	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.3418
Annotation	10Z,13Z,16Z,19Z,22Z,25Z-octacosahexaenoic acid
Peak:m/z	Relative Intensity
55.05518	19.4
57.07083	7.5
67.05512	19.5
69.03435	8.4
69.07076	44.5
71.08627	3.2
71.51931	3.4
79.05497	14.4
81.07059	47.1
83.08624	10.0
83.96162	2.8
91.05490	7.9
93.07053	30.3
95.08611	100.0
97.06543	24.3
99.04449	3.9
105.06397	3.0
105.07029	17.8
107.08607	55.0
109.10164	66.5
110.45168	3.5
111.11713	10.4
119.08596	20.6
121.10155	49.9
123.11747	21.3
125.06009	74.5
125.06880	5.8
126.89149	2.8
131.08557	5.5
133.10143	19.6
135.11708	28.9
136.52751	3.1
137.13258	9.4
145.10175	7.9
147.11734	10.7
149.13269	16.2
151.14854	3.6
153.09097	4.0
159.11719	4.1
161.13295	9.8
163.14848	19.1
173.13226	4.1
175.14899	6.6
177.16380	18.4
181.12251	3.8
187.14783	4.2
189.16399	6.9
191.17972	20.9
195.13864	5.4
201.16544	3.9
203.17950	14.4
205.19519	14.9
208.35036	3.1
209.15413	6.2
217.19641	3.9
221.15553	5.5
227.17860	3.0
236.69008	3.1
245.22685	4.4
259.24655	2.8
303.23215	3.9
317.24774	4.9
332.67789	2.8
395.33115	3.2
413.33994	77.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2173
Annotation	Pterodontoside B
Peak:m/z	Relative Intensity
55.05528	7.7
55.83253	6.1
67.05523	13.8
69.03422	9.8
69.07076	11.7
69.75520	23.5
69.75932	15.6
79.05495	15.7
81.07053	13.4
83.04982	8.8
85.02902	15.8
91.05497	30.8
93.07039	41.1
95.08617	22.3
97.02885	12.0
98.20750	8.5
103.69160	6.8
105.07050	43.8
107.08614	100.0
109.06544	10.1
109.10165	45.0
119.08580	25.2
121.06519	11.6
121.10195	31.2
131.08615	18.3
133.10162	34.9
135.04091	6.6
135.11690	29.4
145.10138	24.2
147.11716	9.4
149.09608	7.3
150.01111	7.1
151.11183	12.1
161.13216	11.3
177.09207	7.5
178.05026	6.7
180.44788	7.0
187.14781	8.0
195.10226	27.2
233.15289	14.3
241.90805	8.3
251.16389	64.9
351.88007	6.3
368.42761	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	413.217
Annotation	Tinocordifolioside
Peak:m/z	Relative Intensity
53.03954	1.5
55.01859	2.3
55.05499	2.1
57.03436	2.3
67.05520	3.6
69.03422	6.8
69.07060	3.8
70.06575	1.7
71.05010	2.8
71.34666	3.0
79.05481	1.9
81.03429	3.9
81.07055	4.6
85.02910	13.9
86.09724	2.4
87.04497	2.4
91.05494	5.6
93.07047	4.5
95.04996	2.7
95.08613	3.3
97.02907	6.9
97.06554	2.5
99.04493	2.9
105.07043	5.9
107.08581	6.4
109.02886	3.2
109.06531	5.0
109.10184	3.3
109.39427	1.6
109.73953	1.7
111.08105	2.2
115.72232	1.6
117.07077	2.7
119.08597	5.6
121.06522	3.0
121.10152	3.4
123.08086	2.5
127.03945	3.1
129.06953	2.3
131.08578	9.4
133.06516	2.4
133.10172	4.6
135.08064	2.9
138.93123	1.6
142.07820	3.7
143.08533	3.2
145.10144	10.1
147.08089	4.7
147.11734	2.4
149.09641	2.1
155.08580	2.1
157.10158	6.1
159.08058	3.2
159.11682	3.2
161.09589	3.3
161.13344	1.7
163.11232	3.2
166.08717	1.9
167.08556	1.8
171.11974	1.6
173.09634	5.0
173.13313	7.2
175.11229	1.8
184.90065	1.7
187.11128	2.6
187.14873	5.2
191.10692	1.6
197.13390	4.1
203.14334	3.8
215.14333	16.7
233.15390	23.4
233.17520	2.2
251.16443	20.9
413.21628	100.0
414.22186	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.3622
Annotation	19-Norlanosta-5,24-dien-11-one
Peak:m/z	Relative Intensity
53.03946	4.4
55.05519	17.9
57.07069	13.1
67.05505	30.0
69.07071	35.1
69.69804	15.6
69.70216	8.1
71.08637	7.1
79.05486	18.3
81.07061	92.5
83.08619	17.7
85.06557	12.4
85.65202	3.6
91.05487	17.1
93.07050	48.4
95.08613	100.0
97.10179	13.8
98.20875	8.2
98.21476	7.8
105.07051	27.7
107.08602	65.6
109.10174	72.2
111.11756	6.0
119.08579	31.9
120.61227	3.9
121.10159	56.9
123.11709	42.4
131.08560	9.4
133.10129	20.6
135.11693	52.7
137.13274	24.1
143.08566	4.2
145.10121	12.6
147.11676	20.1
149.13261	57.5
151.14859	4.2
157.10121	5.4
159.11723	15.3
161.13255	15.0
163.14824	27.6
171.11700	5.8
173.13290	16.2
175.14842	15.4
177.16426	14.6
182.04085	4.3
185.13217	3.8
187.14827	9.5
189.16367	9.0
191.14331	10.2
191.17955	22.6
193.15874	6.4
201.16425	9.6
203.18050	10.5
205.15997	5.8
205.19490	25.6
217.19481	7.3
219.17587	3.5
219.21062	18.5
229.19624	3.9
240.54007	3.6
327.26566	4.3
393.35242	12.4
402.89386	4.2
411.36426	92.1
412.36548	5.9
429.12448	3.9
431.27396	4.1
432.44601	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	413.142
Annotation	Unknow
Peak:m/z	Relative Intensity
62.56434	0.6
69.03441	1.0
70.06589	0.8
70.40226	1.4
71.04990	0.6
72.08156	0.7
75.42486	0.5
81.03406	0.9
85.02901	2.5
93.95156	0.5
105.07037	0.5
107.04959	0.7
107.08620	0.6
108.39838	0.6
111.25707	0.5
121.02850	0.8
121.10123	0.9
136.06194	4.7
145.04907	0.7
147.04483	0.6
162.04086	3.1
182.37808	0.6
185.04262	1.9
188.77533	0.6
189.05267	4.9
233.15379	1.2
250.08183	4.4
251.08928	7.5
281.09872	2.8
365.76917	0.6
383.13205	0.8
413.14203	100.0
414.14609	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1419
Annotation	t(6)a
Peak:m/z	Relative Intensity
55.96392	0.4
64.33210	0.4
69.03432	0.5
70.06581	0.8
70.92487	0.5
70.92818	0.8
73.02921	0.4
74.06082	1.8
81.07063	0.8
85.02903	1.1
86.52802	0.5
91.05484	0.7
93.07066	0.6
98.71764	0.5
102.05549	1.1
105.06992	0.6
119.03570	3.8
120.06596	8.0
120.29927	0.5
136.06200	100.0
137.04608	1.9
145.10118	0.7
162.04131	59.5
194.45731	0.5
214.45653	0.6
233.15416	1.1
251.16484	0.7
268.10419	1.1
281.09961	47.1
327.56033	0.5
413.14127	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	413.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75263	0.8
57.03433	2.8
59.05006	0.9
59.77399	0.9
60.39127	0.9
61.02923	3.1
62.07843	0.9
65.10378	0.9
66.22393	0.9
67.05499	1.7
67.36256	1.1
69.03434	9.1
70.06599	2.4
71.05017	1.5
71.51077	1.0
72.08173	1.7
73.02941	1.6
73.06571	1.8
81.03413	3.5
81.07080	1.8
84.04549	1.0
85.02911	17.8
86.09697	1.5
91.05493	1.3
93.07047	1.7
95.08651	1.0
97.02892	5.8
99.04515	1.6
105.07005	1.8
107.08617	2.4
109.02908	2.4
109.06561	1.5
119.08596	2.9
121.06458	1.2
121.10101	1.0
126.50849	1.0
127.03922	4.2
131.08592	2.8
131.87901	1.2
133.07652	1.1
133.10112	1.1
145.05017	3.0
145.10144	2.8
147.08089	1.0
149.09650	1.1
159.11620	1.0
161.07127	3.9
162.09125	1.7
163.08690	13.2
171.11737	0.9
173.09700	1.2
175.11215	2.3
177.10359	2.3
187.14818	1.0
189.06682	3.2
190.07358	2.0
205.09773	3.6
207.07655	25.1
207.09558	1.7
215.14291	1.8
218.06874	5.8
223.00081	1.0
225.02493	1.1
233.09230	31.2
233.15387	6.4
251.10286	100.0
251.16132	5.1
252.10591	1.6
322.28265	0.9
363.00879	1.0
413.21506	95.9
433.32446	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.3261
Annotation	beta-Tocotrienol
Peak:m/z	Relative Intensity
53.03954	3.4
55.05507	11.5
57.07077	7.3
62.36909	2.1
67.05511	19.0
69.07072	29.9
71.08617	3.4
79.05492	10.7
81.07062	35.3
83.08633	7.6
89.06134	2.8
90.05146	2.9
91.05486	10.7
93.07052	19.3
95.08621	49.9
97.10197	4.6
99.04491	2.6
105.07048	27.0
107.08600	42.1
109.06540	4.5
109.10172	37.5
111.08166	2.7
111.11731	4.6
117.07050	2.9
119.08595	26.1
121.10155	48.3
123.08068	3.2
123.11730	13.4
131.08568	16.0
133.10153	25.9
135.08113	3.5
135.11671	24.5
137.13251	15.6
142.07753	3.2
143.08597	4.8
145.10152	18.5
147.08119	2.8
147.11681	12.6
149.13286	6.6
151.07710	2.8
157.10172	11.2
159.11681	13.1
161.13310	12.1
163.14880	7.7
165.09172	3.1
171.11745	10.5
173.09647	15.4
173.13226	12.4
175.11220	5.5
175.14822	6.3
177.16449	9.3
183.11824	3.6
185.13287	7.7
187.14861	5.9
189.16418	7.0
191.10724	19.1
191.17973	20.0
197.13332	3.0
199.14932	3.7
201.16484	9.5
203.17963	9.1
204.00835	2.7
213.16499	8.5
215.18062	6.9
217.19579	6.6
227.18115	5.2
229.19624	8.5
243.21188	4.9
247.17120	2.9
259.16971	3.7
273.18719	3.5
301.21777	9.1
309.25708	2.8
315.23370	3.3
323.27408	21.0
324.28043	6.0
365.32257	4.0
369.94034	2.7
376.96326	2.8
393.31470	15.1
411.32571	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1993
Annotation	(+)-Picriside B
Peak:m/z	Relative Intensity
50.59089	0.5
56.74670	0.4
67.05492	1.7
68.75502	0.5
69.03424	0.6
69.07030	0.7
71.51234	0.6
72.08145	0.5
81.07050	2.2
83.04961	1.6
83.08633	0.7
85.02924	0.6
86.11760	0.5
91.05474	0.8
93.07014	1.4
95.08610	1.3
95.72798	0.5
97.02860	0.7
99.08146	0.7
105.03404	2.8
105.07027	1.2
107.08590	1.1
109.10172	0.9
117.07008	0.7
119.08590	1.4
119.35674	0.5
120.08076	0.8
126.82047	0.5
133.10085	0.7
143.08627	0.5
145.10121	0.6
147.11696	0.7
151.11229	0.8
162.09067	0.8
167.14340	1.4
202.50325	0.6
203.05266	0.7
209.15347	1.2
213.09366	0.5
231.13725	1.4
249.12398	0.9
249.14703	1.7
287.05475	0.6
367.17126	0.7
392.32996	0.6
411.19894	100.0
412.20309	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	411.3261
Annotation	beta-Tocotrienol
Peak:m/z	Relative Intensity
55.05506	12.3
57.07056	5.2
64.56123	2.4
67.05508	19.1
69.07065	28.3
69.08614	2.6
71.08637	3.2
71.51591	3.6
74.80005	2.6
79.05479	11.2
81.07063	44.0
83.08601	12.3
89.06022	5.2
91.05505	19.2
93.07044	32.4
95.08614	73.5
95.15900	2.6
97.10160	7.2
105.07040	38.8
107.08604	61.5
109.06485	3.9
109.10159	38.4
111.08055	7.1
111.11713	12.3
117.07008	4.4
119.08585	55.3
121.09332	4.7
121.10153	68.6
123.08076	3.9
123.11712	18.1
129.07004	2.8
131.08556	11.6
133.10139	47.0
135.11707	35.5
137.09665	3.1
137.13261	16.9
139.07483	5.2
143.08577	9.5
145.10132	26.2
147.11702	27.0
149.13272	13.4
157.10100	10.4
159.11708	32.0
161.13255	20.8
163.14796	8.7
171.11708	15.8
172.12399	3.0
173.13329	12.9
175.14859	13.6
176.16309	2.8
177.12788	3.1
177.16383	23.8
179.71692	2.8
181.12206	5.2
185.13252	8.7
186.13905	3.7
187.14861	13.0
189.16365	20.5
191.17911	17.2
193.15923	2.9
195.13660	3.5
197.13080	3.1
199.14812	6.5
201.16396	73.8
203.17924	25.2
205.15710	3.2
205.19411	4.5
205.98672	3.2
207.13794	3.7
213.16321	10.7
215.18005	15.0
217.19572	19.6
221.15331	5.5
223.16924	4.5
227.17963	8.7
229.19554	21.1
242.81371	2.7
243.21011	7.9
267.20721	3.3
269.22641	3.2
287.20160	4.9
301.21613	6.4
309.25812	3.7
315.23083	4.3
323.27335	11.8
324.28049	9.8
327.46924	3.6
393.31302	4.2
411.27493	6.2
411.32474	100.0
412.32892	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	409.3832
Annotation	4,4'-Diapophytoene
Peak:m/z	Relative Intensity
55.05509	19.1
57.07061	7.2
67.05509	19.1
69.07078	39.6
69.49507	15.5
71.08616	4.3
79.05511	11.5
81.07062	56.2
83.08619	16.1
91.05469	9.5
93.07053	22.2
95.08613	62.2
96.32326	2.0
97.10158	8.1
105.07041	20.4
107.08591	28.8
109.10160	43.8
111.11729	5.7
111.45987	2.0
112.66685	2.1
117.07030	2.6
119.08603	28.0
121.10170	32.0
123.11708	24.2
131.08571	7.4
133.10135	21.3
135.11697	23.4
137.13280	14.2
143.08565	4.1
145.10117	14.5
147.11705	18.0
149.13254	18.3
151.07524	2.3
151.14851	4.4
157.10196	4.1
159.11728	20.4
161.13264	13.8
163.14832	12.2
171.11674	5.4
173.13255	10.1
175.14880	10.7
177.16394	11.8
185.13310	4.5
187.14828	9.1
188.15662	2.4
189.16393	12.9
191.17990	8.2
199.14861	5.8
201.16443	9.1
203.17937	11.0
205.19633	5.9
213.16331	3.7
215.17963	8.6
217.19481	6.2
227.17976	4.0
229.19547	8.6
231.21152	8.4
241.19440	2.5
243.21111	4.6
243.49008	2.0
245.22672	3.2
255.21036	3.1
257.22705	9.9
259.24326	5.2
271.24240	6.4
285.25891	6.3
299.27298	5.3
301.60855	2.5
325.29169	3.4
327.30466	6.9
339.30505	3.7
353.32004	6.2
364.03250	2.4
367.33615	3.5
398.95105	2.2
409.38327	100.0
410.38629	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	409.3832
Annotation	4,4'-Diapophytoene
Peak:m/z	Relative Intensity
51.55359	3.4
55.05505	13.7
56.75313	2.7
57.07074	4.0
67.05505	29.9
68.67712	3.1
69.07077	29.9
70.79948	2.9
71.06918	2.7
71.53236	4.3
79.05486	17.2
81.06593	4.4
81.07059	70.8
83.08618	10.9
91.05479	7.2
93.07045	31.6
95.08615	100.0
95.17352	3.2
97.10174	7.5
99.42668	3.3
105.07026	17.6
107.08601	40.4
107.78271	3.3
109.10165	63.3
111.11714	5.3
119.08594	21.3
120.53111	3.3
121.10142	28.7
123.11703	25.6
125.13304	3.7
131.08549	5.0
133.10132	21.1
135.11722	21.8
137.13255	26.0
145.10126	6.6
147.11697	15.5
149.13290	21.1
151.07556	35.7
157.56673	3.2
159.11682	7.4
161.13268	11.9
163.14859	15.8
173.13252	4.2
175.11191	4.5
175.14862	9.4
177.16466	9.1
187.14774	4.1
189.09135	15.0
189.16344	9.6
191.10661	11.9
191.17999	13.4
201.16472	5.0
203.10693	49.3
203.17966	11.3
205.12331	3.9
205.19543	7.2
215.17995	4.3
217.12180	3.7
217.19536	9.8
219.21147	3.6
229.19504	15.4
231.21169	7.6
257.22736	9.4
271.24234	6.4
325.70718	3.3
409.30865	11.1
409.38773	38.0
410.31778	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	409.3833
Annotation	4,4'-Diapophytoene
Peak:m/z	Relative Intensity
53.03930	2.2
55.05519	16.4
57.07091	11.1
67.05513	26.9
69.07072	30.3
69.18117	11.5
69.18556	12.1
71.08626	2.8
75.19041	2.2
79.05495	15.6
81.06597	4.3
81.07063	71.8
83.08625	16.7
84.30557	2.3
89.06020	3.7
90.06409	2.3
91.05511	13.1
93.07047	36.2
95.08615	100.0
97.10184	8.3
98.20756	5.0
101.50423	2.4
105.07025	17.5
107.08595	46.5
109.09480	4.5
109.10169	62.8
110.96046	2.3
111.11713	3.0
119.08601	26.1
121.09345	3.6
121.10155	47.1
123.11720	36.1
131.08534	5.2
133.10110	19.2
135.11700	34.0
137.13277	21.6
145.10091	6.4
147.11693	15.9
149.13268	39.4
151.07631	2.9
151.14839	3.7
159.11699	5.5
161.13257	11.5
163.14841	27.3
171.11705	4.0
173.13274	7.5
174.43967	2.6
175.14850	6.5
177.16422	7.6
187.14857	3.3
189.16403	15.0
191.17949	32.6
201.16302	3.9
203.17952	16.8
205.19493	10.6
217.19475	18.4
219.21100	19.0
245.22614	3.8
257.22589	5.5
259.24280	3.8
271.24213	3.6
347.06641	2.4
376.49506	2.5
409.30258	4.7
409.38657	51.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.383
Annotation	4,4'-Diapophytoene
Peak:m/z	Relative Intensity
53.03947	2.2
55.05506	10.5
57.07069	7.5
62.11908	1.6
67.05511	21.4
69.07064	27.2
71.08681	1.5
71.25105	3.1
72.75183	1.6
76.01486	2.0
79.05466	8.0
81.07060	60.6
83.08622	13.3
84.71110	1.5
90.80540	1.5
91.05492	4.8
93.07047	19.4
95.08609	100.0
96.08910	1.8
97.10182	7.6
97.80575	1.8
105.07050	13.7
107.08585	28.8
109.10159	64.0
111.11706	10.1
119.08602	16.1
121.10144	30.2
123.11705	23.8
133.10097	15.2
135.11705	19.9
137.13249	28.7
145.10150	3.2
147.11691	17.2
149.13251	18.5
151.14838	4.6
154.00273	1.6
159.11717	3.5
161.02878	1.7
161.13286	13.0
163.14861	8.3
165.16435	2.0
173.13301	3.2
175.14827	9.2
177.16391	13.0
179.17928	3.2
187.14929	3.5
189.16476	4.5
191.17941	15.6
201.16527	2.9
203.17953	15.6
205.19534	15.1
215.18074	2.7
217.19482	12.9
219.21115	2.7
229.19615	4.9
231.21158	15.5
243.21172	4.1
245.22778	7.7
257.22766	6.5
259.24176	11.0
271.24228	12.4
285.25836	6.7
299.27405	3.8
339.30530	3.3
409.38400	60.3
410.38815	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	409.3317
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05527	14.4
57.07082	100.0
65.51258	2.0
67.05511	19.3
68.61640	2.0
69.07075	22.5
71.08640	68.5
71.22482	4.0
73.06587	2.4
79.05498	13.8
81.07065	44.6
81.40885	2.3
83.08635	14.2
85.10188	42.0
89.06034	2.4
91.05475	12.6
93.07049	19.6
95.08616	56.1
97.10166	9.6
99.11685	3.3
105.07040	15.8
107.08604	29.9
109.10165	28.7
111.08046	3.9
111.11749	4.1
116.05330	2.9
117.07016	4.6
119.08596	19.4
121.06486	4.7
121.10155	22.5
123.08042	2.7
123.11693	12.6
131.08574	11.7
133.10147	11.9
135.08046	9.9
135.11726	13.8
137.05986	6.6
137.09659	2.9
137.13237	21.1
139.07570	2.7
143.08580	2.3
145.10139	14.7
147.08055	3.9
147.11682	8.2
149.05945	6.5
149.09593	6.1
149.13234	10.9
151.07544	50.1
151.14792	2.7
153.09111	2.8
157.10121	3.2
159.11694	10.5
161.13263	3.7
163.07558	17.3
163.11186	2.8
163.14822	8.3
165.09158	31.7
171.11652	3.3
173.09636	4.9
173.13264	7.0
175.14835	6.6
177.09119	31.0
177.12788	2.4
177.16344	7.2
179.10654	9.4
181.08562	6.3
183.18454	2.3
185.13206	2.3
187.11215	5.7
187.14853	5.4
189.16353	4.8
191.10666	16.4
191.17969	4.2
193.12257	4.5
195.10268	3.7
195.12204	2.3
201.12721	6.8
201.16380	3.8
205.12283	7.5
207.13895	2.5
209.11671	3.8
215.14406	6.1
215.17978	4.2
217.19487	3.8
219.13808	8.3
229.15814	4.5
229.19539	3.0
233.15427	4.8
247.16881	5.0
257.22571	3.0
261.18536	3.5
271.20291	3.0
271.24133	3.1
355.29971	3.1
391.33853	2.3
409.33652	4.5
409.38950	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	409.3315
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	12.9
55.05507	46.8
57.07082	55.9
60.55139	7.1
67.05511	37.3
69.07078	84.8
71.01882	14.1
71.08617	32.7
74.02377	7.8
74.21996	6.8
79.05489	16.7
81.07061	90.6
82.07362	8.9
83.08610	53.6
85.10178	16.5
86.09705	36.5
91.05474	11.8
93.07041	43.7
95.08621	100.0
95.46509	6.6
97.06537	12.1
97.10181	41.3
105.07022	26.8
107.04938	7.0
107.08622	55.4
109.06506	9.4
109.10169	66.4
111.08044	7.8
111.11703	33.1
119.07766	8.3
119.08575	38.9
121.06584	8.5
121.10174	46.2
123.11726	34.6
125.02353	25.2
125.05991	7.9
125.13247	9.0
127.03927	31.7
131.08536	14.6
133.10149	29.6
135.11717	20.2
137.09581	7.8
137.13268	16.2
139.07536	11.1
145.10126	24.6
147.11681	21.2
149.09604	17.7
149.13303	34.3
151.14867	8.4
157.10106	9.9
159.11678	12.0
161.13264	12.2
163.14845	16.0
169.08594	20.5
175.14806	11.0
177.09116	22.5
177.16432	9.0
187.14815	10.9
189.16466	12.6
195.10255	20.2
201.16397	9.0
203.17949	11.1
217.19583	12.4
248.68820	7.3
264.15701	7.3
345.31320	9.2
355.30054	8.5
373.31058	33.6
391.31940	53.2
409.18384	7.6
409.34180	67.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2742
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	8.4
54.52075	2.9
55.01888	3.7
55.05518	21.1
57.07067	10.2
57.44769	3.1
59.05001	5.8
63.90176	2.8
65.03933	3.2
67.05521	23.0
69.03435	8.6
69.07063	9.1
69.25878	25.9
71.04973	4.6
79.05505	24.0
81.03423	3.2
81.07062	38.0
83.04996	4.3
83.08616	6.3
85.06545	5.1
90.57798	3.0
90.58349	2.5
91.05482	47.3
93.07047	51.8
95.04977	55.6
95.08607	44.1
97.06000	3.0
97.06542	12.3
105.07040	100.0
107.04950	3.9
107.08601	35.9
109.06496	17.0
109.10155	19.3
111.08057	3.4
115.05431	5.3
117.07047	12.6
119.08585	76.2
120.96461	3.0
121.06496	21.9
121.10182	23.3
123.08090	27.7
128.06232	6.5
129.07022	11.1
130.07796	5.0
131.08569	31.5
133.06509	3.2
133.10156	24.3
135.08075	20.2
135.11714	8.9
137.09615	9.3
141.06952	4.3
142.07724	14.2
143.08566	15.5
144.09349	5.2
145.06583	4.0
145.10136	51.8
146.10872	3.8
147.08015	20.2
147.11696	42.1
149.09616	14.6
151.07533	24.7
155.08595	8.4
156.09389	7.9
157.10117	26.8
159.08134	6.5
159.11717	17.2
161.09610	12.8
161.13271	9.6
163.11263	4.8
163.14783	3.3
165.09125	34.7
168.09456	6.8
169.10150	16.9
170.10945	3.6
171.11678	14.9
173.09561	6.1
173.13306	9.6
175.11205	26.2
177.09094	8.8
179.08658	4.0
181.10158	5.1
182.10872	4.2
183.11685	16.9
185.13286	5.7
187.11166	4.1
187.14885	5.7
189.12793	9.8
189.16319	4.4
192.92354	2.9
195.11649	5.7
197.13214	4.3
199.11212	3.3
201.12735	10.4
201.16428	5.4
203.14323	15.6
207.13795	7.0
209.13358	5.6
209.15332	4.6
211.14882	9.1
213.16356	3.3
221.13481	2.9
221.15385	66.7
229.15883	8.3
234.16161	10.9
286.19241	4.7
287.20044	10.3
300.20694	3.6
329.21097	4.1
391.26068	7.0
409.27258	56.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2739
Annotation	10'-Apoviolaxanthal
Peak:m/z	Relative Intensity
51.02369	1.7
52.64259	1.2
53.03938	5.3
55.01858	3.4
55.05514	20.7
57.07073	6.6
59.04990	3.4
65.03927	3.0
67.05502	17.8
69.03435	9.1
69.07055	6.4
69.61416	1.3
70.03683	5.8
77.03904	1.5
79.05069	1.9
79.05502	21.0
81.03426	2.9
81.07059	25.6
83.04976	4.3
83.08598	2.5
85.06557	3.2
88.55314	1.3
91.04982	2.4
91.05489	34.4
93.06490	2.5
93.07051	41.1
95.04973	51.9
95.08070	2.2
95.08618	24.2
97.06519	6.6
103.05405	2.0
105.07038	100.0
107.04952	1.9
107.08599	22.5
109.06521	11.9
109.10146	7.6
115.05436	2.9
117.07023	13.8
119.08591	63.4
120.09387	2.2
121.06513	15.4
121.10146	16.8
123.08090	15.4
123.11718	1.7
128.06233	3.9
129.07008	7.1
130.07808	3.5
131.08556	21.2
131.42097	1.5
133.06483	4.8
133.10139	20.4
135.08076	13.0
135.11720	4.0
137.05960	1.8
137.09625	9.2
141.06964	4.4
142.07805	12.4
143.08583	12.5
144.09326	3.0
145.06522	2.0
145.10133	37.5
146.10794	1.8
147.08047	17.0
147.11691	48.0
149.09621	13.4
151.07567	18.6
151.11217	2.0
153.06973	2.4
153.09070	1.9
155.08543	6.8
156.09309	3.8
157.10130	20.6
158.10899	1.9
159.08086	5.0
159.11725	14.5
161.09616	6.9
161.13271	4.1
163.11223	3.1
165.09123	33.1
167.08592	4.3
168.09383	1.8
169.10135	10.0
170.10785	1.7
171.11679	8.8
173.09622	5.1
173.13226	6.3
175.11198	37.0
175.14819	2.0
177.09111	5.5
178.09987	2.0
179.08543	3.6
181.10100	5.6
181.12122	1.9
182.10857	2.1
183.11790	7.2
185.13232	3.1
187.11156	4.3
187.14897	2.5
189.12733	4.6
191.14308	2.6
195.11636	2.2
197.13307	4.8
199.11111	3.5
199.14850	3.4
201.12706	6.4
201.16412	1.6
203.14311	14.1
207.11916	2.0
207.13768	9.5
209.13269	3.7
209.15340	3.3
211.14835	4.9
215.14326	1.9
219.13864	5.1
221.13480	2.3
221.15381	60.0
229.15897	3.4
231.13805	5.4
233.15388	2.9
234.16176	17.5
239.14569	2.1
243.13855	2.2
247.16946	1.8
249.16536	2.1
265.15790	2.0
267.17477	1.5
286.19214	2.1
287.20074	6.2
300.20883	4.9
329.21106	5.0
335.20007	2.3
391.26215	6.5
392.31491	2.9
409.27332	44.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1836
Annotation	Woodhousin
Peak:m/z	Relative Intensity
50.75842	0.3
53.00196	0.3
55.05512	0.6
56.49310	0.4
67.05510	0.8
67.20821	0.3
69.07064	0.5
71.40311	0.8
71.40682	0.4
78.27987	0.3
79.05486	0.5
81.07065	0.8
91.05481	0.4
93.07030	0.7
95.04974	0.4
95.08602	0.6
105.07033	0.9
107.04948	0.4
107.08562	0.6
118.63836	0.4
119.08645	0.9
131.04942	0.5
133.10132	0.6
135.11664	0.6
143.01622	0.4
145.10086	0.6
147.11705	0.6
157.10210	0.4
159.11703	0.5
161.09608	0.4
179.15923	0.4
203.05307	0.5
212.17342	0.6
229.12065	0.4
247.13065	3.2
248.79973	0.4
287.80624	0.4
329.15671	0.4
409.18356	100.0
410.18661	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2741
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.7
55.05503	10.0
56.65673	1.7
57.07061	6.6
57.25011	1.9
64.54736	1.8
65.03935	2.8
67.05507	25.0
69.07070	19.5
69.15171	17.7
71.04987	8.7
71.08633	3.3
79.05510	15.0
81.07062	44.6
83.04995	3.0
83.08629	10.3
85.36451	2.2
89.06024	8.5
91.05482	12.0
93.07057	29.9
95.04985	3.0
95.08613	85.3
97.10184	4.9
99.01610	1.8
100.23392	2.0
105.07048	24.7
107.08597	31.6
109.06537	4.6
109.10165	55.2
111.08013	2.2
111.11708	3.6
113.09699	2.3
117.07033	2.9
119.08600	20.2
121.10152	39.0
123.08089	12.9
123.11730	22.2
129.06995	2.3
131.08580	5.8
133.10106	16.0
135.08037	6.7
135.11697	20.0
135.79138	1.9
137.13261	18.6
143.08528	3.1
145.10167	12.2
147.11693	17.7
149.13272	19.5
151.07553	100.0
151.14841	2.2
156.13797	1.9
157.10194	4.4
159.11789	9.1
161.13252	15.1
163.11169	2.5
163.14836	17.8
165.09100	2.6
171.11668	2.9
173.13260	6.5
175.14830	6.1
176.08287	3.2
177.09126	10.3
177.16385	5.0
181.04256	1.9
185.13173	2.5
187.14786	6.0
189.09152	17.5
189.12688	2.5
189.16357	9.4
191.10669	34.3
191.17949	10.7
195.12257	5.7
196.12552	2.7
201.16446	5.1
203.10689	10.1
203.17953	8.1
205.12308	4.1
205.19522	6.6
215.17986	4.1
217.12238	5.8
217.19525	8.5
219.21112	3.9
227.17960	2.6
229.12273	2.9
229.19501	4.8
231.21098	4.1
243.21039	3.0
257.15515	3.1
257.22552	6.8
259.16986	2.7
271.24213	4.0
285.25851	2.6
391.26166	3.2
409.18719	3.3
409.27133	27.1
409.38477	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	409.2741
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.6
55.05515	15.8
57.07066	4.8
59.04993	3.9
60.79437	1.5
65.03932	2.0
67.05508	19.8
69.03439	8.6
69.07072	9.0
69.36963	3.2
69.37371	9.1
71.04981	1.6
71.80483	1.5
79.05500	21.5
79.65043	1.4
81.03427	2.0
81.07065	31.0
83.04977	5.8
84.33715	1.4
85.06551	3.8
87.44167	1.6
91.05485	36.1
91.11974	1.3
92.06307	2.1
93.07045	40.5
95.04976	44.8
95.08614	28.6
97.06533	6.7
103.05467	4.3
105.04498	2.3
105.07040	100.0
106.52599	1.4
107.08612	25.6
107.09329	2.8
109.06538	9.5
109.10178	10.2
115.05442	3.4
117.07055	12.6
119.04926	2.0
119.08593	67.4
121.06507	16.4
121.10150	11.8
123.08081	14.3
123.11716	3.8
128.06224	3.8
129.07018	6.6
130.07780	2.6
131.08589	19.9
132.09332	2.4
133.06496	4.1
133.10149	20.0
133.99094	1.5
135.08061	15.9
135.11699	5.5
137.06017	2.4
137.09601	10.2
141.07001	3.1
142.07782	11.7
143.08571	13.8
144.09302	3.0
144.16522	1.4
145.09064	2.5
145.10133	32.7
147.08066	15.9
147.11699	38.4
149.09674	11.0
151.07562	15.9
153.09076	2.9
154.07738	1.8
155.08560	6.4
156.09381	6.7
157.10146	19.1
159.08081	5.0
159.11723	13.5
160.08899	1.5
161.09641	8.8
161.13290	6.3
163.11237	4.5
163.14862	3.4
165.09128	27.8
165.15683	1.6
167.08505	2.6
168.09349	4.9
169.10118	9.4
170.10965	2.0
171.11684	8.3
173.09621	6.7
173.13310	9.0
175.11197	26.2
175.14828	2.8
177.09077	2.8
178.09833	3.0
181.10129	3.8
181.12250	2.4
182.10876	2.4
183.11719	13.4
185.13268	6.8
187.11156	4.1
187.14796	3.2
189.12794	4.9
191.14308	2.8
193.10190	2.0
195.11717	3.8
196.12495	1.8
197.13295	4.1
199.11218	2.4
199.14845	2.6
201.12746	11.9
201.16396	4.0
203.14337	13.5
207.11806	2.2
207.13818	6.2
209.13322	2.3
209.15337	3.1
211.14864	2.2
213.12819	3.9
215.14337	3.2
216.15054	2.2
219.13829	6.3
221.15375	59.6
222.15790	1.8
223.14932	2.9
225.12495	1.5
225.16362	2.1
229.15953	5.7
231.13841	2.2
233.15375	2.6
234.16185	19.1
235.14934	2.0
243.13892	2.8
249.16534	2.1
286.19324	3.3
287.20053	6.7
300.20810	5.8
329.21201	5.2
345.60544	1.9
353.21606	1.4
391.26367	4.5
409.27246	31.4
409.35263	2.6
410.27524	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.0745
Annotation	Unknow
Peak:m/z	Relative Intensity
62.73922	1.4
69.61121	10.0
69.67710	1.4
71.13853	1.3
98.19900	1.7
98.20699	2.3
142.35226	1.4
177.41826	1.9
224.45662	1.6
236.05203	1.4
359.03699	8.7
377.04858	5.1
390.96494	1.8
409.07471	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1244
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	5.6
55.05504	4.4
65.04001	2.2
67.05504	5.5
69.03441	6.5
69.03842	2.8
71.05003	4.1
71.51876	3.7
72.08174	6.1
79.05497	6.2
81.03419	3.0
81.07058	6.5
83.05000	2.7
84.08160	3.5
85.02914	4.5
86.09757	3.8
91.05501	8.9
93.07044	7.5
95.04996	4.6
95.08609	4.2
97.02940	4.5
105.03384	17.6
105.07008	6.3
107.04967	2.9
107.08610	5.9
111.08105	2.7
117.07071	2.7
119.08616	5.7
120.08118	4.9
121.06586	3.4
123.04478	2.9
124.07645	3.2
125.09711	2.9
133.10152	3.6
133.46278	2.5
135.11613	2.7
136.07591	3.2
137.06029	3.7
145.96176	2.9
147.04312	3.0
159.11664	4.0
173.07103	3.2
178.96317	2.6
179.07059	5.5
179.46558	3.2
182.68152	3.0
185.21883	2.6
187.05074	13.1
191.03616	3.0
197.07166	4.4
200.07028	2.9
201.06636	9.0
201.12766	3.3
205.09827	3.0
211.05048	4.6
211.08600	4.6
212.98523	3.5
215.08208	17.2
217.06165	2.9
217.09734	4.2
224.05850	2.6
225.06647	8.6
226.07246	3.1
229.06216	7.9
230.06792	3.9
233.09177	2.8
239.00182	3.3
239.08180	14.1
243.07629	24.3
245.04590	3.7
245.09187	3.5
247.10849	5.0
253.06052	5.9
254.06906	2.7
257.09311	18.1
261.08759	14.7
262.01645	2.7
267.07690	14.0
269.09375	5.0
271.07169	19.7
285.08719	55.8
287.05719	5.8
287.10257	3.8
289.08182	36.2
295.07263	5.9
297.08737	12.3
303.09671	16.6
307.09280	12.5
312.12241	3.8
313.08218	66.3
314.08102	4.7
315.09818	28.5
317.07574	3.4
321.00714	4.4
321.12781	4.9
331.09265	100.0
333.10803	18.1
335.08511	4.9
341.07666	8.1
349.10352	88.4
359.08862	24.2
367.11566	19.1
377.09781	31.5
391.11292	39.4
409.12354	39.9
409.18329	75.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.0748
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20810	2.4
54.02567	1.9
60.55584	1.9
69.43249	7.7
69.43676	7.3
72.08144	5.2
85.02881	2.1
98.97583	5.4
114.96828	2.1
139.27031	1.8
140.01672	2.0
155.01738	2.3
194.84908	1.9
198.80486	1.7
205.02399	2.2
219.01698	2.5
234.62735	2.0
237.03030	2.9
279.09171	2.0
345.02338	2.7
359.03815	7.3
377.04788	6.7
399.75616	2.3
409.07382	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73450	7.6
55.05504	29.0
67.05501	29.3
69.03431	11.2
69.07067	41.8
70.79288	19.2
81.03410	7.9
81.07044	22.5
82.39982	8.5
83.04983	48.5
85.02901	25.7
85.06543	10.6
86.09702	22.7
91.05507	18.8
93.07027	28.3
95.04964	11.4
95.08590	46.0
98.97568	43.3
99.08112	11.2
99.93862	9.3
105.07029	30.5
107.08605	47.0
109.06525	20.6
109.10175	80.6
111.08075	24.3
111.48038	8.6
119.08592	52.4
121.10160	100.0
123.08065	18.2
123.11694	33.0
124.03959	9.4
127.03918	11.5
133.10118	37.1
135.11702	55.6
137.09628	30.7
140.03407	13.2
140.07219	8.7
147.11676	8.7
149.13240	42.0
151.14850	9.5
153.09096	27.3
158.99719	10.9
165.16446	11.6
175.14867	73.1
193.12236	13.7
193.15895	97.3
199.09430	9.0
211.13205	19.4
219.01854	10.9
220.55693	9.7
224.05246	9.0
228.10173	28.5
234.31598	9.7
246.11177	21.8
265.11127	14.6
272.12701	10.0
307.12070	15.0
408.14893	19.1
409.18518	18.3
427.16562	17.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	11.0
57.03439	4.9
58.88051	3.5
61.02919	7.5
62.06100	3.3
67.05490	16.5
69.03437	26.2
69.07053	14.5
70.06591	6.4
70.16946	13.2
71.04990	6.7
73.56164	3.4
79.05491	13.7
81.03403	12.3
81.07059	30.2
81.50694	3.5
83.04967	6.4
83.08608	6.4
84.04518	7.3
85.02908	100.0
85.06503	3.6
86.06052	5.4
86.09723	18.9
91.03951	6.8
91.05482	11.4
93.07047	21.6
95.08614	46.8
97.02887	26.6
98.97552	5.5
99.04478	5.7
101.35470	3.5
104.07097	7.5
105.07040	18.7
107.04952	3.9
107.08598	22.1
107.83694	3.5
109.02870	9.9
109.10162	18.4
111.08088	6.8
111.11721	5.3
119.08595	43.8
120.08095	17.6
121.10136	26.0
123.08084	5.3
123.11696	10.0
124.03967	19.9
125.09602	4.7
127.03912	23.1
133.10159	27.2
135.08046	4.2
135.11694	13.5
137.09622	17.9
139.11189	4.0
140.03439	8.1
145.04967	49.7
147.11682	7.8
149.13240	16.1
163.03928	4.7
163.06000	8.6
165.09152	4.1
167.10548	3.6
175.14838	54.4
193.12175	3.3
193.15889	47.8
197.06285	4.1
211.13322	4.0
213.07761	5.1
222.08092	4.8
226.81505	4.1
244.68410	3.4
246.11290	8.8
261.10699	7.6
289.08087	4.4
317.07455	3.6
322.93216	3.4
331.09415	5.9
390.28476	10.3
408.19202	7.8
408.29446	11.6
409.18399	40.4
411.78036	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	408.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03415	1.0
69.45035	4.1
73.24806	0.6
73.36816	0.6
78.04696	0.7
79.05488	0.7
85.02912	3.6
91.05450	0.8
93.07040	0.8
93.34307	0.6
97.02877	1.3
99.81972	0.6
103.05511	0.7
106.04167	0.7
107.04958	1.4
114.05558	1.7
121.06539	1.3
123.04442	3.5
127.03888	0.9
129.37637	0.6
137.05984	3.4
139.03874	0.8
149.04706	1.0
149.05995	3.2
152.04669	1.0
159.46677	0.7
166.07294	4.8
167.07051	100.0
168.07422	1.6
181.08617	2.2
193.08563	3.8
211.09680	13.5
229.10742	8.2
240.08772	0.8
263.81870	0.6
316.07324	0.7
376.09399	1.7
379.61731	0.7
408.11765	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	408.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
69.17805	7.1
69.18214	1.8
72.00084	0.7
85.02902	2.5
93.07053	0.7
97.02885	1.1
98.20722	1.4
105.06977	0.9
107.04986	1.8
108.57898	0.7
115.70493	0.7
121.06527	1.8
123.04423	1.8
124.05222	1.4
137.06075	0.7
145.04921	0.8
149.06012	2.1
152.04666	1.0
161.05919	1.0
167.07047	100.0
168.07362	1.4
179.07014	0.9
181.08659	1.8
193.08664	5.0
211.09662	13.9
229.10719	10.6
244.30957	0.9
247.94165	0.8
319.11575	0.8
402.47882	0.8
408.12473	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.187
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.5
53.24634	0.5
57.02116	0.5
69.03432	1.3
70.06596	0.9
71.50802	0.9
72.08150	1.8
78.04707	0.7
79.05502	1.3
81.03423	1.4
84.04457	0.5
84.08163	0.8
85.02911	5.1
86.09714	0.7
91.05457	1.2
93.07034	0.8
97.02890	1.5
103.05468	0.6
105.07061	1.1
106.04174	0.5
107.04960	1.0
111.84491	0.4
120.08117	0.6
121.06517	1.7
123.04425	3.3
127.03919	1.2
133.06485	0.6
137.05945	1.0
142.06627	0.9
149.05986	2.1
151.03870	0.6
151.07539	0.7
152.04582	0.5
160.07599	1.2
161.06049	0.8
167.07057	100.0
168.07382	1.3
177.50999	0.5
181.08588	3.0
182.06393	4.9
193.08647	3.4
210.05902	1.9
211.09677	14.9
228.06868	5.4
229.10751	8.8
245.04469	0.9
246.07898	2.3
257.04572	0.7
283.05969	0.5
287.05521	1.7
313.82028	0.5
408.12595	1.2
409.09164	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.3675
Annotation	4,4'-Diapophytofluene
Peak:m/z	Relative Intensity
55.05512	9.6
57.07064	5.2
58.43839	1.4
65.03931	1.6
67.05511	15.8
69.07071	22.4
70.76065	2.6
79.05499	6.8
81.07062	33.6
83.08621	7.9
91.05466	8.0
93.07055	18.2
95.08611	60.4
97.10180	5.3
105.07037	21.9
105.35734	1.2
107.08602	33.0
109.10160	40.9
111.11718	4.8
117.07023	2.5
119.08587	26.6
121.10160	24.5
122.18756	1.3
123.11726	17.3
129.06958	1.6
131.08577	5.8
133.10147	15.3
135.11700	16.4
137.13289	10.7
143.08604	3.2
144.09274	2.2
145.10147	12.8
147.11696	20.4
149.13246	14.4
151.14879	2.3
157.10106	4.1
159.11710	15.3
161.13243	12.9
163.14827	8.2
171.11755	3.1
173.13303	9.4
175.14851	9.5
177.16339	7.6
185.13249	4.4
187.14799	9.3
189.16391	14.3
191.17952	14.4
199.14871	4.1
201.16364	11.1
203.17946	13.0
205.19508	7.2
206.54790	1.5
213.16425	2.7
215.18019	9.6
217.19537	9.0
227.17973	2.7
229.19560	4.8
231.21156	2.5
241.19510	3.1
243.21121	7.7
245.22720	5.4
255.21074	6.2
257.22708	4.3
259.24390	1.3
269.22656	8.1
271.24249	5.9
283.24146	4.3
295.24014	1.8
297.25851	3.9
311.27432	3.3
337.28891	1.4
351.30713	2.6
365.31927	1.8
407.36743	100.0
408.37143	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	407.3525
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.6
55.01870	0.7
55.05521	3.6
57.07079	6.8
63.30810	0.6
65.03941	2.2
67.05508	23.5
69.07072	7.8
69.36780	5.4
71.04996	3.6
71.08636	8.5
71.39644	0.5
76.09354	0.6
79.05488	2.3
81.07074	6.1
81.44550	0.7
83.08626	5.1
85.06565	0.7
85.10205	4.1
89.05990	0.7
91.05500	1.2
91.55189	0.6
93.06545	0.6
93.07031	3.6
95.04982	11.6
95.08616	6.6
97.06512	1.1
97.10175	3.4
97.10715	0.7
99.04469	7.8
99.11714	1.0
105.03390	0.8
105.07045	2.1
107.08594	3.8
109.06481	0.7
109.10172	4.2
110.15215	0.7
111.11718	2.9
113.06026	2.7
119.08597	3.0
121.10151	2.2
123.04433	17.4
123.08096	0.8
123.11700	2.2
125.06012	8.8
125.13256	1.1
131.70717	0.7
133.10156	2.4
135.08072	0.9
135.11685	1.4
137.06003	0.8
137.09633	1.0
137.13254	1.3
139.07558	4.6
141.05472	100.0
142.05864	1.0
145.10149	1.2
147.11694	2.7
149.13258	2.5
151.11154	1.2
151.14749	0.7
153.09070	0.9
155.07068	1.1
159.11792	0.7
161.13263	1.1
163.14832	1.1
165.09122	0.9
167.10735	0.9
175.14874	1.1
177.16502	0.7
179.10704	1.0
179.14415	0.7
189.16376	1.4
193.12355	0.7
203.18062	1.4
217.19592	1.0
231.94875	0.6
257.22632	0.8
288.90213	0.6
329.32144	1.4
333.27768	0.7
346.50772	0.6
347.33087	2.7
361.34528	1.3
365.34326	0.8
371.33118	1.8
383.35834	0.6
389.34128	9.3
407.35260	37.9
408.35593	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1167
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96559	2.3
61.02945	1.1
61.88844	0.8
62.74554	0.7
69.03417	2.1
69.45080	6.1
70.06583	1.9
71.01367	0.9
72.08144	2.4
73.02907	1.0
84.08117	0.9
84.96027	1.3
85.02946	3.6
87.04475	0.9
93.25649	0.7
94.83041	0.9
97.02888	1.2
98.97133	0.7
98.97602	8.8
110.97581	2.4
113.02387	0.8
116.98603	1.6
124.99185	0.9
128.98581	1.1
130.08658	0.8
133.74117	0.7
143.00128	1.4
151.00017	6.8
158.99672	3.2
167.07101	1.9
177.00682	1.9
177.05484	1.0
180.00287	0.9
181.01123	5.3
185.04230	8.2
219.01819	2.3
223.05534	0.8
227.08549	0.9
237.02847	1.5
241.93852	0.9
273.05811	1.2
283.04291	1.7
311.03784	3.6
315.06888	5.1
343.06387	100.0
344.06961	2.1
375.09048	15.0
376.09213	1.1
407.11612	44.2
408.12036	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2559
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.8
55.05511	4.7
57.03439	5.1
57.06839	0.7
57.07080	8.8
65.03901	0.8
67.05511	9.2
69.07066	7.0
71.08643	5.3
73.83776	0.5
79.05493	3.6
81.06590	0.9
81.07059	14.0
83.08620	4.9
85.10163	2.3
89.06032	1.3
91.05503	3.0
93.07049	6.2
95.08614	19.3
97.10165	2.7
98.20792	1.2
101.73409	0.6
105.07047	6.0
107.08612	8.8
109.10165	12.6
111.11721	1.4
113.00023	100.0
117.06980	0.8
119.08589	7.0
121.10148	6.7
123.11698	6.3
131.08604	3.2
133.08595	0.9
133.10150	5.5
135.11682	5.1
137.13264	4.1
139.01566	1.1
143.08585	1.1
145.10127	4.4
147.11707	4.6
149.13310	3.5
155.08676	0.5
157.10149	1.0
159.11694	5.0
161.13272	4.7
163.14838	3.1
169.02621	95.6
171.11710	1.7
173.13298	3.0
175.14839	2.5
177.16422	1.8
183.11725	0.7
185.13229	1.5
187.14810	3.4
189.16411	4.1
191.17957	2.3
195.12277	0.7
201.16417	4.3
203.17924	3.5
205.19485	1.4
213.16318	0.6
215.18028	3.7
217.19518	3.4
229.19449	2.6
231.21141	1.2
243.21127	1.1
255.20973	1.4
257.22684	1.9
269.22635	1.3
297.25677	0.9
323.27399	0.6
351.30582	0.7
355.46832	0.5
365.32352	0.9
407.31720	1.1
407.36847	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	407.2278
Annotation	Breyniaionoside B
Peak:m/z	Relative Intensity
55.05510	23.6
57.03453	6.1
60.76696	7.0
61.02922	7.0
67.05511	12.0
69.03427	22.1
69.07054	16.3
70.06575	7.6
70.33478	9.4
71.05001	6.8
76.07747	4.1
79.05505	11.0
79.92904	4.8
81.03417	5.3
81.07061	27.7
83.04973	21.2
84.08130	6.5
85.02900	53.1
85.06552	25.8
85.06981	5.2
87.04489	6.4
91.03996	5.9
91.05508	8.2
93.07065	24.4
95.04987	6.5
95.08625	46.5
97.02898	16.0
97.06553	7.0
99.04433	8.2
99.08097	12.4
105.07043	13.2
107.08582	20.2
109.06551	10.1
109.10178	29.5
113.09641	14.0
119.08590	15.4
120.08138	6.4
121.06556	5.3
121.10155	39.6
123.08076	15.7
123.11711	10.6
125.09652	16.1
129.84755	5.0
133.10162	13.4
135.11720	16.0
137.09648	13.8
137.13263	8.7
139.11182	40.6
143.06198	4.7
145.04988	7.8
147.11618	5.3
153.12817	11.7
155.10701	21.6
157.12254	7.4
161.13310	10.3
167.10649	10.3
169.12277	8.2
173.13246	11.8
179.14359	20.4
183.13779	27.5
185.70946	5.7
191.14320	14.5
197.15376	95.1
200.75371	5.1
209.15327	28.1
215.16434	100.0
227.16458	26.2
245.17514	86.4
268.12888	6.2
292.30197	5.5
303.26996	4.7
349.22217	5.1
389.13367	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	406.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
66.64218	1.6
69.03436	4.2
71.06816	3.0
85.02898	7.1
91.05489	2.4
97.02879	2.7
97.06499	1.9
107.08592	2.2
109.10169	1.7
121.06481	3.3
121.10145	6.5
133.10103	5.6
135.08087	2.3
136.05214	2.2
137.05931	1.9
138.06725	1.4
147.08128	1.9
147.11681	1.7
148.05215	3.4
151.07568	3.7
151.11217	1.8
153.05502	1.7
163.07567	4.6
165.05501	2.5
166.06245	10.4
168.07925	7.8
173.13216	2.6
177.09103	3.5
178.09911	22.1
179.07077	3.0
179.10692	2.5
181.08609	71.3
181.10254	3.4
191.14290	6.3
194.09435	12.9
195.10275	2.6
209.11749	34.7
209.15369	4.7
227.12802	100.0
227.16118	10.8
359.71652	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	30.0
57.07096	6.5
61.35952	5.4
67.05508	21.7
69.03425	12.1
69.07070	20.6
71.35830	10.1
72.08159	5.3
79.05506	12.7
80.21789	6.5
81.07053	27.2
83.02137	6.2
83.04983	48.0
83.08624	18.8
84.04552	6.5
84.08138	7.6
85.02906	28.6
85.06538	26.4
86.06061	10.7
91.05474	33.4
92.05816	6.5
93.07047	21.6
95.04952	6.9
95.08617	19.8
96.83660	5.5
97.02914	6.1
97.10181	14.3
105.07018	11.7
107.08610	66.7
109.06533	15.3
109.10156	17.4
111.08086	47.3
113.06000	7.1
117.92084	5.6
119.08599	9.2
121.10156	36.4
123.08093	12.5
123.11730	6.9
125.09637	9.4
127.07542	9.0
131.08617	8.7
133.10150	39.6
135.08076	12.2
135.11684	39.2
137.09644	7.6
147.11697	13.1
148.09702	21.0
149.13271	15.8
151.11185	21.1
153.09126	60.6
163.14827	16.7
173.13292	16.3
191.14319	100.0
193.08678	7.4
198.18611	7.2
209.08115	7.2
209.15433	58.2
227.12744	6.3
259.11234	8.2
370.26007	10.6
407.14450	16.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03966	1.8
55.05507	2.4
57.03431	2.0
67.05507	3.8
69.03438	4.7
69.07085	3.0
69.31657	13.0
70.06588	1.5
71.05000	4.5
71.05372	1.5
81.07057	5.0
83.04990	3.5
83.08629	2.1
84.01543	1.5
85.02924	9.0
85.06547	2.3
89.06070	2.1
91.05502	3.6
93.07052	4.2
95.04981	4.6
95.08619	7.4
97.02925	2.7
97.06522	2.2
105.07043	8.1
107.08595	16.2
109.06528	2.3
109.10155	9.5
111.08044	1.8
119.08583	4.2
121.10159	60.3
123.08055	3.0
123.11726	3.0
125.09650	4.4
131.08574	3.4
133.10101	7.5
135.08067	4.1
135.11734	4.4
137.09604	5.5
139.11243	3.3
145.04994	2.5
145.10120	2.1
147.11713	6.6
149.09648	3.2
149.13235	9.1
151.11206	13.5
153.09128	2.5
158.10878	1.9
163.14854	6.3
165.12775	1.9
168.07791	2.1
169.12263	2.5
173.13257	13.7
179.08623	1.5
181.08649	1.5
189.33948	1.5
191.14323	37.9
209.11691	6.3
209.15370	25.0
227.13004	3.1
227.16447	100.0
228.16888	2.2
306.17499	1.4
350.64728	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	3.8
57.03442	2.2
59.04988	2.9
67.05503	3.2
69.03399	3.2
69.07059	5.2
69.37653	13.1
70.06567	1.8
71.04945	1.7
79.05495	23.4
81.03417	2.1
81.07058	32.0
83.08602	2.5
85.02894	6.6
88.10236	1.7
91.05477	5.9
93.07049	13.3
95.04990	1.8
95.08620	10.9
97.02880	2.2
97.06538	8.1
98.21503	2.8
105.07025	6.9
107.08602	100.0
109.06516	3.2
109.10157	2.3
119.08578	9.9
121.10165	21.0
123.08086	4.0
124.03947	4.5
125.09628	2.6
127.03973	2.8
131.08575	3.1
133.10138	4.7
135.11694	8.2
145.05002	2.5
147.11679	3.2
149.13278	2.4
157.10086	2.1
161.13243	10.8
163.14836	12.8
173.13260	4.3
175.14856	4.3
179.14328	63.9
191.14323	28.5
193.15993	8.5
209.15382	28.9
217.67848	2.1
247.76691	2.0
275.04800	1.8
306.54636	1.8
335.18439	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.2
55.05513	0.2
60.16621	0.1
69.03448	0.1
70.11964	0.1
70.41504	0.2
70.41832	0.2
72.75298	0.1
78.03455	0.9
80.04569	0.2
80.05023	2.9
81.07075	0.2
83.04966	0.5
91.05480	0.1
93.07042	0.1
96.04499	1.8
101.06039	0.3
105.07056	0.1
107.04971	0.2
107.08588	0.2
119.08583	0.2
123.08103	0.1
124.03965	100.0
125.04278	0.9
125.06071	0.1
133.10141	0.2
140.03407	0.1
145.10072	0.1
161.09637	0.4
162.65048	0.1
165.09048	0.1
173.13257	0.1
179.10756	0.1
189.09167	0.2
191.14351	0.2
207.10219	0.6
219.13858	0.2
237.14999	0.2
247.13290	0.1
265.14273	0.1
283.15295	0.1
406.18628	8.8
407.18811	0.3
412.92755	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	406.1864
Annotation	N1-hydroxy-roquefortine C
Peak:m/z	Relative Intensity
53.03946	0.3
62.98636	0.1
65.58673	0.1
69.03442	0.2
71.04982	0.2
71.52148	0.2
78.03465	1.0
79.04192	0.1
79.05505	0.3
80.05022	3.5
81.07054	0.4
85.06522	0.2
86.78156	0.2
91.05451	0.3
93.07059	0.5
95.05015	0.2
95.08604	0.3
96.04511	2.1
105.07032	0.3
107.08604	0.7
109.06548	0.5
109.10197	0.2
117.07024	0.1
119.08493	0.2
120.08115	0.2
121.10164	0.4
123.08092	0.6
124.03964	100.0
125.04295	0.9
133.10104	0.2
135.08128	0.3
137.05998	0.2
145.10228	0.2
151.07552	0.3
161.09671	0.4
163.14894	0.2
173.13280	0.3
181.05003	0.1
183.11801	0.2
191.14307	0.5
209.15366	0.3
227.16457	0.4
264.21851	0.1
391.37283	0.2
391.46072	0.1
406.18643	24.0
407.18921	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03427	1.8
69.35181	5.9
70.06586	2.3
79.05491	0.9
81.03417	0.9
81.07055	1.1
84.08157	1.0
85.02927	3.9
86.09684	0.8
91.05454	1.0
93.07076	1.8
95.08588	2.1
97.02915	0.8
99.71256	0.8
107.04978	5.4
107.08589	1.7
109.93785	0.7
117.07038	3.5
119.08551	2.3
121.10165	8.0
123.04427	2.3
124.05165	0.9
133.10152	1.2
139.11180	5.0
140.04720	1.1
145.06500	2.4
149.09608	2.1
155.07056	0.9
163.14891	1.7
167.07045	100.0
168.07347	1.0
177.09103	14.9
191.14275	1.7
209.11739	23.6
209.15350	2.2
227.12805	14.7
244.15843	0.8
257.93411	0.6
258.58643	0.8
423.34491	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.3731
Annotation	5alpha-Cholestan-5alpha,6beta-diol
Peak:m/z	Relative Intensity
52.76270	1.7
55.01867	2.2
55.05518	8.1
57.07095	11.0
65.06388	1.7
67.05497	7.3
69.03434	2.7
69.07068	9.4
69.74974	1.6
71.08639	6.2
71.50986	2.5
79.05511	2.5
81.07063	4.2
83.01343	6.5
83.04976	1.8
83.08633	5.1
85.10165	2.7
91.05457	4.2
93.07060	17.8
95.08600	10.3
97.10163	3.7
107.08612	6.3
109.10155	2.6
111.08098	6.7
120.12326	1.6
121.10165	3.4
123.08115	2.1
125.05965	4.1
125.09637	4.1
127.07592	2.4
133.10068	2.1
139.07567	19.0
139.11229	2.8
147.11546	2.2
151.11192	2.0
153.09082	9.3
161.13387	1.6
164.18507	1.9
167.10719	6.2
181.12280	8.1
195.13861	6.6
209.15356	4.6
223.17058	2.2
237.18617	2.7
265.21753	3.3
275.63773	1.9
279.23218	2.0
311.27255	1.6
359.20920	1.9
405.37357	100.0
406.37750	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.1643
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	3.1
55.05521	1.4
56.05038	7.7
57.03442	4.1
57.45581	0.9
58.99591	11.8
62.98504	0.9
63.00728	0.8
68.05024	1.3
69.07079	2.2
70.96019	1.6
73.01133	1.7
74.00675	2.4
76.02239	22.6
76.03996	2.6
79.05495	3.9
80.05028	1.5
81.07063	19.0
83.06100	1.7
84.04512	22.6
85.01116	3.1
86.00668	4.5
86.99055	6.2
87.02692	6.4
88.02219	2.3
93.07039	0.9
95.08629	4.9
97.06529	2.1
98.09709	12.1
99.08101	4.9
101.00620	1.4
102.05540	3.4
105.07011	2.0
108.08135	1.2
110.09676	2.3
111.08132	0.9
112.03965	2.4
113.04231	7.8
114.03774	1.0
115.05815	1.4
116.01688	26.0
116.02504	1.4
122.09696	2.2
123.08060	1.4
127.05811	1.4
129.06558	2.1
129.27869	0.9
130.05019	7.4
130.06870	3.8
130.08711	1.2
139.05786	2.0
142.03185	2.4
143.02834	1.2
144.01199	7.3
156.08435	20.5
156.10213	10.1
157.06847	7.8
162.02225	20.5
167.07072	7.0
174.09496	14.1
179.04852	8.5
187.05319	1.1
189.03226	1.3
190.31398	0.9
209.08127	1.3
210.11389	2.3
216.06894	6.1
227.09134	1.6
233.06036	2.0
242.08540	1.0
259.11139	100.0
260.11545	1.9
285.12695	1.9
307.00531	0.8
313.12137	3.3
331.13428	4.9
388.15216	1.1
406.16281	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	405.3731
Annotation	5alpha-Cholestan-5alpha,6beta-diol
Peak:m/z	Relative Intensity
55.05507	3.7
57.07084	7.8
58.73286	0.9
67.05514	11.7
69.07070	2.5
69.50897	6.0
70.06590	1.0
71.08646	6.5
79.05518	1.2
81.07062	3.1
83.08611	1.7
85.10203	2.9
87.17865	0.9
91.05486	4.9
93.07061	34.1
95.05007	1.6
95.08058	1.8
95.08621	20.7
97.06588	2.1
100.16843	1.0
105.07065	1.5
107.08598	5.4
109.10181	2.9
111.08107	18.8
114.36990	1.5
119.08665	1.1
121.06531	2.1
121.10184	1.8
125.09649	1.6
127.07553	3.0
139.07573	16.8
151.11165	1.5
153.09102	9.6
155.22186	0.9
157.08643	1.0
167.10678	6.3
181.12260	5.7
195.13873	3.8
209.15436	2.5
223.16978	3.8
223.19014	0.9
251.20145	1.7
279.23358	1.4
335.29605	1.2
381.25327	1.1
405.37366	100.0
406.37741	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	405.3732
Annotation	5alpha-Cholestan-5alpha,6beta-diol
Peak:m/z	Relative Intensity
53.03938	2.3
55.01865	2.2
55.05516	5.4
57.07082	11.6
62.23911	0.7
62.92677	0.7
67.05511	15.5
69.03474	0.7
69.07076	6.7
69.42683	1.5
69.43099	3.4
71.08640	7.3
79.05496	2.8
81.07064	10.1
83.08626	4.3
83.89652	0.6
85.10196	3.2
91.05490	8.8
93.07050	42.5
95.05003	2.4
95.08612	34.4
97.06564	1.8
97.10176	3.0
98.21083	2.3
99.16973	0.8
105.04489	1.2
105.07046	4.6
107.08606	11.1
109.06469	0.7
109.10163	10.4
111.08094	21.4
111.11736	1.8
114.12804	1.7
117.07030	0.6
119.08581	8.0
119.63457	0.7
121.06511	3.4
121.10159	7.8
123.08033	0.9
123.11710	4.8
125.09653	1.0
126.96188	0.7
127.07565	3.5
128.01125	0.7
131.07704	0.7
131.08607	2.2
133.10136	6.7
135.08008	1.6
135.11723	4.3
137.13260	2.9
139.07552	20.1
143.08566	1.9
145.10162	4.5
147.11679	3.3
149.09595	0.6
149.13330	3.5
153.09108	11.5
155.08621	1.3
157.08609	2.2
157.10146	3.4
158.10931	0.7
159.11705	4.1
161.13275	4.9
163.14859	2.5
167.10674	6.3
169.10132	1.1
171.11714	2.8
173.13268	2.9
175.14856	2.9
177.16443	1.1
181.12260	6.8
183.11786	1.8
185.13324	3.4
187.14853	2.0
189.16423	2.7
195.12074	0.6
195.13841	3.9
197.13313	2.3
198.14076	0.6
199.14859	2.6
200.15463	0.8
201.16444	1.7
203.18051	1.2
209.13599	1.0
209.15320	4.2
211.14839	2.1
213.16380	4.8
215.17987	2.2
217.19774	0.8
223.16975	1.7
225.16386	0.8
227.17961	2.3
229.19618	0.9
231.21085	1.9
237.18463	0.8
239.17921	1.0
241.19585	1.5
243.21141	1.8
245.22685	1.3
251.17859	0.8
251.20181	1.4
253.19569	2.0
255.21054	2.3
257.22681	0.9
265.21805	1.2
267.21133	3.4
269.22543	2.1
279.23419	1.6
281.22733	2.4
283.24149	1.5
295.24194	1.3
309.25726	1.9
321.25711	1.2
323.27289	1.3
335.27414	2.6
336.28363	0.9
349.28537	1.1
380.90680	0.7
405.37479	100.0
406.37152	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.3519
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.1
54.34062	0.8
55.01862	3.3
55.05514	7.6
57.07084	13.2
65.03937	1.5
67.05509	20.4
69.03411	1.0
69.07072	9.6
71.08635	9.6
71.53164	1.6
79.05496	4.8
81.07057	13.6
83.04964	1.2
83.08615	5.2
85.06509	0.7
85.10190	4.9
91.05482	13.2
93.07047	58.5
95.04980	2.4
95.08611	44.7
97.06517	2.2
97.10175	3.1
105.04505	1.1
105.07039	6.9
107.08595	13.5
109.09476	1.0
109.10165	11.4
111.08082	26.3
111.11735	1.6
114.12791	1.9
119.08583	9.2
121.06506	3.5
121.10153	11.5
123.11716	5.6
125.09647	1.8
127.07543	2.9
131.08574	2.6
133.10130	9.3
135.11719	4.6
137.09547	1.0
137.13225	2.2
139.07544	24.4
143.08542	2.2
145.10118	5.3
147.11705	4.5
149.09550	1.3
149.13260	3.1
153.09106	13.9
155.08588	1.2
157.08611	2.4
157.10126	3.7
159.11707	5.9
161.13283	3.9
163.14847	1.8
167.10677	10.3
169.10115	2.6
171.11711	4.4
173.13277	2.9
175.14824	2.8
177.16513	1.8
181.12233	7.4
183.11722	2.4
184.12405	0.8
185.13297	3.1
187.14847	2.7
189.16374	3.2
191.17950	1.2
195.12086	1.2
195.13741	5.1
197.13214	3.4
199.14854	2.8
201.16368	2.6
209.15367	3.5
211.14740	1.8
213.16318	4.2
215.17950	2.7
223.16951	2.0
225.16455	2.5
227.17979	2.2
229.19547	1.1
231.21091	1.5
237.18468	1.3
239.17975	2.0
241.19556	0.8
251.20108	1.7
253.19559	1.8
255.21159	1.7
265.21783	1.3
267.21082	2.5
279.23126	1.9
281.22760	1.1
295.24005	0.9
309.25754	2.0
311.34222	0.9
321.25473	1.2
323.27298	1.3
382.59000	0.8
405.37497	100.0
406.37616	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	404.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
54.72182	4.8
57.03441	14.6
67.05527	12.4
69.03432	16.4
69.07037	7.4
71.04967	6.7
72.08170	7.8
79.05499	10.7
81.07056	15.1
83.04988	22.4
84.72692	5.8
85.02917	25.3
85.06526	5.7
86.09709	7.7
87.60494	5.1
89.00317	5.9
91.05508	13.4
93.07052	22.9
95.08617	20.2
99.04455	12.9
100.07604	5.5
105.07053	27.9
107.05048	6.1
107.08611	25.7
109.06528	14.3
109.10153	8.8
111.08089	10.8
115.02606	5.9
119.08604	34.3
121.10168	24.3
123.08070	6.2
123.11729	18.4
125.09669	5.9
131.04953	13.6
131.08553	5.8
133.10173	14.4
135.08063	9.9
137.05980	10.7
137.09596	33.9
143.08548	7.0
145.10126	13.4
147.11720	24.8
149.09631	22.4
151.07591	6.1
151.11205	6.1
161.13228	15.8
163.11226	15.9
165.12766	70.2
167.07045	13.1
168.07387	10.0
171.11682	14.6
179.14406	7.8
189.12753	53.2
207.13799	100.0
224.16422	13.4
224.39192	5.9
242.17632	10.5
287.05222	9.2
288.05801	17.8
369.19211	8.3
404.70834	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	405.2404
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	6.0
55.05519	12.2
57.03436	5.1
57.07067	7.5
64.45792	1.8
67.05520	9.5
69.07077	14.4
71.08643	3.7
71.51673	2.2
79.05488	6.9
80.21073	1.9
80.72784	1.8
81.07063	13.7
83.08625	11.5
91.05489	4.5
93.07053	9.3
95.08629	10.0
96.37891	1.7
97.10155	8.4
105.07034	3.0
107.08586	8.3
109.10181	4.6
111.08109	2.0
113.00028	99.4
119.08595	3.0
121.10129	10.1
123.11687	2.7
131.08549	2.6
133.10156	2.8
135.11673	6.4
137.13240	2.5
145.10155	2.9
159.11681	3.2
169.02626	100.0
169.10199	2.2
173.13249	2.1
175.14880	2.6
187.14912	2.4
190.79857	1.9
219.21027	2.4
237.22072	6.1
321.51126	2.2
360.81296	2.2
405.30121	3.6
405.35135	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	404.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	1.6
57.03442	1.1
62.80341	1.0
64.41198	0.9
67.05510	3.3
69.03423	1.4
70.06597	1.2
71.52213	1.2
75.04603	0.9
79.05465	1.0
81.03445	1.1
81.07081	2.1
83.04968	2.8
85.02928	6.6
85.06579	1.2
90.78716	1.0
91.05488	2.7
93.07051	2.7
95.04964	2.1
95.08618	4.0
97.02911	1.6
97.06517	1.8
99.04492	1.2
104.57504	1.1
105.07041	3.3
107.08604	2.4
109.06535	2.4
117.07095	1.0
119.08598	3.1
121.10146	5.7
123.08083	100.0
124.08427	2.5
130.05118	1.2
131.04916	1.2
131.08591	1.7
133.10170	2.1
135.08183	1.0
140.13638	0.9
141.12813	0.9
145.10132	2.0
147.08066	1.4
147.11714	2.1
149.09651	3.0
151.11183	1.8
159.11668	1.6
161.06033	1.5
163.11240	1.8
167.07010	2.4
167.10654	1.3
171.11710	2.2
177.12680	1.6
181.04927	1.1
181.12273	9.7
189.12813	5.0
195.88380	1.0
201.27798	1.1
207.10210	3.4
207.13846	6.2
225.14903	12.1
394.78918	1.0
423.06830	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2638
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25272	8.2
53.80260	8.5
55.05519	50.6
57.03462	11.7
64.26804	8.0
67.05513	75.1
69.03410	8.3
69.07072	38.3
69.93638	45.8
79.05490	71.3
81.07075	87.0
83.04993	8.9
83.08627	37.3
85.06538	13.8
91.05495	96.4
93.07066	70.7
95.04975	14.7
95.08633	62.7
97.06549	11.6
97.10173	16.6
105.07039	66.8
107.08582	24.7
109.10153	23.1
111.08074	11.9
117.07018	54.4
119.08563	44.4
121.06527	13.4
121.10155	32.5
123.08070	19.2
129.07024	64.9
131.08560	100.0
133.06508	10.0
133.10129	27.4
135.08101	14.6
135.11716	16.3
141.07063	14.9
143.08568	47.3
145.10155	36.0
147.08041	11.6
149.09660	16.1
155.08560	29.5
157.10172	35.2
159.11699	24.5
160.15808	9.3
161.09601	11.1
167.08618	26.0
169.10089	20.7
171.11725	21.0
173.09547	11.4
175.11234	9.8
177.12788	10.0
181.10112	17.5
183.11763	15.5
185.13286	8.7
209.13263	11.7
213.35217	10.2
223.14893	25.0
233.15474	12.7
239.14362	18.9
271.16904	12.5
333.21936	17.8
351.23206	33.5
369.24121	48.9
387.25302	44.6
405.26151	19.6
405.31046	13.2
406.35159	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	404.1752
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83838	1.5
54.75261	1.4
56.74726	1.6
56.96573	15.3
70.82450	1.4
71.50448	3.1
71.95271	3.7
72.08165	1.5
94.04218	1.5
94.94592	1.5
95.07182	1.4
98.97595	100.0
116.98637	50.2
122.03700	3.1
134.99658	15.6
137.05988	45.2
140.00212	5.7
179.00250	1.8
185.25217	1.6
193.01735	1.6
197.01250	2.3
201.32942	1.7
226.11154	20.0
235.02808	71.6
238.01527	2.4
244.12234	6.4
253.03873	81.5
266.28668	1.6
268.12296	2.8
271.04968	2.2
276.05505	13.6
290.04703	1.5
294.17667	1.8
344.15396	12.0
404.17493	68.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.192
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16032	1.0
67.05492	1.0
69.03417	1.3
70.68860	2.7
71.26854	0.9
85.02908	4.1
91.05491	3.0
97.02867	1.3
105.07082	2.1
107.04971	1.2
107.08614	0.9
115.05476	1.4
117.07013	1.2
121.06556	1.3
129.03345	0.9
131.04890	1.1
131.08580	1.3
133.06514	7.7
145.06508	2.7
147.08102	4.7
149.05997	1.2
151.07521	4.7
161.05994	25.1
163.07536	2.6
167.07106	1.1
175.07545	6.8
176.08350	81.6
177.05478	3.4
177.09132	4.8
179.10652	0.9
189.12755	3.7
192.07796	5.6
207.10199	100.0
207.13692	4.1
208.10475	2.8
214.33112	0.9
307.65390	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.8
55.05506	5.1
59.04993	2.9
66.82684	2.1
67.05505	5.7
69.03424	6.7
70.06606	13.1
70.82060	4.9
70.82377	3.3
71.04974	2.8
79.05506	3.5
81.03415	3.4
81.07059	6.0
85.02922	17.2
91.05486	7.6
93.07053	8.2
95.04937	2.8
95.08607	6.4
96.04498	3.3
97.02899	2.9
97.05290	2.4
99.04488	2.5
105.07021	16.7
107.08582	13.1
109.02925	2.6
109.06520	4.4
110.06082	7.3
110.13459	2.5
112.14133	2.2
113.04996	2.0
119.08575	22.3
121.10144	13.8
123.04491	2.8
123.08081	4.2
123.11724	9.4
126.09167	11.4
127.03889	4.7
129.07034	3.6
131.08569	10.0
133.10194	3.7
135.08086	25.5
135.11685	3.9
138.09148	24.6
141.07018	3.4
143.08563	8.0
145.10103	6.8
145.37967	2.2
147.08038	15.8
147.11710	16.8
149.09607	13.0
156.10284	94.8
159.11647	4.3
161.13286	7.3
164.15852	2.5
165.12814	3.3
171.11717	34.0
177.05508	9.0
189.12769	25.9
207.11902	5.6
207.13824	100.0
217.30211	2.3
241.73775	2.5
248.15292	2.5
386.15863	4.6
404.15683	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	403.3576
Annotation	delta-Tocopherol
Peak:m/z	Relative Intensity
55.01865	9.5
55.05519	18.3
57.07078	24.6
64.98523	2.9
67.05505	14.6
69.07073	29.3
69.70391	16.4
71.08625	19.1
79.05502	10.8
81.07065	40.6
83.04980	6.4
83.08643	16.0
85.10188	13.8
91.05483	6.7
93.07050	13.4
95.08616	29.5
97.10160	9.6
97.64167	3.0
104.40364	3.3
105.07032	8.5
107.08598	20.3
109.06543	16.8
109.10158	18.7
111.04475	4.6
111.08071	3.5
116.41736	2.9
119.08584	13.2
121.10159	14.2
123.08051	10.2
123.11700	8.9
123.20540	2.9
125.06009	5.3
125.13242	3.0
129.01877	10.3
131.08546	5.2
133.10115	14.6
135.08055	13.4
135.11694	5.2
137.05981	100.0
137.13202	5.8
138.06297	3.7
139.07536	4.2
140.97227	3.0
143.08575	3.4
145.10141	5.0
147.11679	10.0
149.09631	11.9
151.07539	6.3
157.10136	5.1
159.11693	8.2
161.09613	11.5
161.13274	16.3
163.11136	5.8
169.61072	3.7
171.11681	5.9
175.11205	11.0
175.14854	4.6
177.12756	9.1
177.16397	3.7
179.10645	4.7
179.14377	3.6
185.08028	5.3
189.12794	11.2
189.16368	4.9
191.14357	3.2
193.12225	5.5
203.14307	6.8
207.13818	9.9
211.14951	3.8
217.15916	3.9
221.15344	4.7
235.17038	4.4
245.19026	4.4
259.20621	4.6
263.20062	4.1
267.06674	2.6
270.47400	3.4
277.21738	4.2
319.48630	3.5
326.31924	3.5
347.29642	3.8
357.34821	3.6
385.34674	12.6
403.35510	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	403.3574
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	9.6
55.05518	27.8
57.07066	14.1
62.33494	3.9
67.05517	25.8
69.07073	23.5
69.64135	10.4
69.64551	8.8
71.04981	12.1
79.05495	14.8
81.07061	63.0
83.04957	3.6
83.08621	17.2
85.06538	13.5
91.05479	10.3
93.07043	36.4
95.08609	100.0
97.10155	10.2
98.20759	5.4
98.21347	9.2
105.07024	13.1
107.08598	54.5
109.06484	4.4
109.10161	55.2
111.08077	63.6
111.52083	3.2
119.08563	19.9
121.10132	52.2
123.11706	33.0
129.01825	5.7
129.09120	9.2
131.08546	5.4
133.10135	18.0
135.11702	36.7
137.13266	29.1
139.11087	5.8
145.10100	8.7
147.11684	15.8
149.12169	5.7
149.13269	44.0
151.14812	11.0
159.11691	9.2
161.13240	6.2
163.14824	17.1
173.13269	6.2
175.14774	6.6
177.16408	6.8
181.15865	4.4
189.16389	5.2
191.18011	16.3
197.15410	4.8
201.16530	4.2
203.17979	6.5
205.19542	25.7
207.17542	3.3
217.19464	7.3
219.17261	4.1
221.19164	3.7
227.18217	3.4
235.20560	5.3
247.20598	6.5
385.34659	41.4
403.35950	41.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.3574
Annotation	Cholesterol-5alpha,6alpha-epoxide
Peak:m/z	Relative Intensity
55.01892	22.0
55.05512	22.3
55.87197	3.5
57.07079	6.0
64.22844	3.4
67.05517	33.5
69.07078	37.0
71.04980	12.4
71.52058	5.5
72.39938	3.4
79.05515	19.9
81.07062	53.8
83.08169	4.4
83.08640	13.8
85.06537	11.5
87.83707	4.2
91.05504	7.2
93.07056	28.0
95.08626	100.0
97.06541	10.5
97.10181	7.9
105.07047	11.9
107.08606	39.3
109.10177	76.8
111.08101	74.9
111.11734	13.5
119.08571	14.8
121.10160	27.8
121.65257	3.9
123.11707	23.0
125.13285	3.7
129.01866	8.2
129.09109	14.4
133.10126	14.4
135.11702	43.1
137.13263	14.6
139.07539	6.9
145.10161	5.8
147.11707	8.3
149.13281	24.3
153.12822	22.7
159.11699	9.3
161.13245	6.1
163.14870	17.7
171.11693	4.3
171.13863	11.5
173.13300	9.4
175.14899	6.7
177.16368	10.8
181.15880	4.4
191.17995	10.4
193.15736	3.8
203.17934	5.7
205.19481	24.9
217.19560	7.8
364.59613	4.2
369.10599	3.8
385.34714	83.9
403.36121	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	403.3573
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32282	1.9
55.01869	5.4
55.05509	17.2
57.07062	6.0
67.05505	22.5
69.07069	31.8
69.86288	10.6
71.04992	7.8
79.05483	13.6
81.07059	44.4
83.04971	2.5
83.08603	9.2
85.06554	10.3
91.05485	7.3
93.07042	22.0
94.00844	2.1
95.08612	100.0
97.06544	4.9
97.10163	5.8
101.06007	2.9
105.07046	12.1
105.76694	2.4
107.08591	31.1
108.85394	2.1
109.10165	82.2
109.61819	2.6
111.08087	22.0
111.11726	9.2
117.07069	4.2
119.08567	9.0
121.10161	31.1
123.08092	2.5
123.11696	25.7
129.01868	3.8
131.08559	3.5
133.10126	7.9
135.11694	23.6
137.13242	8.7
145.10188	5.1
147.11676	8.7
149.13261	22.8
153.12762	4.4
157.10233	2.7
157.12216	2.6
159.11688	8.3
161.13289	4.7
163.14836	16.7
167.14368	4.2
171.11584	2.7
173.13278	5.5
173.36369	2.4
175.14763	5.9
177.16385	10.9
179.14223	5.3
181.15889	6.0
185.08046	2.8
185.15369	3.3
187.14825	2.2
191.17917	11.4
193.15849	6.3
197.13243	3.4
199.17070	2.5
203.17937	7.0
205.19536	44.7
211.14981	3.8
217.19504	4.5
219.21220	4.4
221.18961	3.1
275.23682	4.6
385.34595	22.7
387.15790	3.5
403.14404	3.2
403.19113	16.7
403.35757	29.6
403.69144	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	403.3577
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	14.4
55.05518	25.4
57.07078	14.7
67.05513	29.4
68.36388	4.4
69.07082	33.6
69.54890	4.9
70.95396	10.7
71.05002	10.8
72.37249	4.0
79.05501	15.8
81.07059	54.6
83.08633	12.0
85.06542	14.9
89.67287	4.7
91.05480	14.4
93.07069	32.9
95.08615	100.0
97.10194	9.2
105.07036	16.7
107.08597	48.0
109.10161	58.5
111.08099	54.7
113.21909	5.4
119.08607	17.3
121.10143	38.2
123.11710	33.3
129.01839	5.2
129.09091	8.2
131.08589	7.3
133.10146	12.9
135.11697	44.3
137.05963	5.1
137.13280	22.3
140.18181	4.5
145.10149	11.4
147.11726	10.3
149.13277	36.2
151.07599	6.0
151.14825	10.5
157.01381	5.9
159.11705	8.4
161.13354	9.3
163.14838	14.5
173.13274	8.5
175.14812	5.4
177.16438	8.3
182.58400	4.3
185.08025	4.7
191.17976	13.9
203.17894	5.8
205.19562	27.1
215.84518	4.7
216.94289	6.1
217.19530	7.8
233.18890	5.4
247.20523	6.6
302.52023	4.4
385.34683	38.1
403.14301	6.5
403.35986	39.8
423.52380	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	403.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	13.6
57.15021	12.9
69.03418	31.8
70.06597	40.6
70.64855	38.1
72.08150	45.6
74.65436	11.9
79.05495	24.4
81.07050	15.3
83.04978	23.2
85.02936	29.1
86.09699	63.5
91.05479	30.5
93.07055	61.7
97.02883	19.8
97.36334	12.4
105.07028	14.6
109.06516	14.8
119.08601	20.2
121.06535	100.0
127.03980	17.4
127.63022	11.7
143.70552	13.1
161.05962	13.2
161.21838	16.1
167.07101	17.8
177.05598	16.9
177.12796	15.3
189.87181	13.5
205.12312	78.1
209.29997	14.9
223.13342	66.4
403.14572	35.0
403.19632	23.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.306
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.8
55.01878	12.4
55.02126	2.2
55.05515	31.0
57.03445	32.3
57.07080	68.1
61.02928	5.1
65.00780	2.7
67.05515	21.9
69.03436	71.5
69.07081	17.4
69.45359	18.2
71.05013	14.9
71.08637	53.4
73.02927	13.0
79.05504	4.8
81.03426	79.7
81.07056	37.3
82.83989	2.2
83.04986	48.3
83.08632	18.0
85.02918	23.4
85.10184	23.0
87.04466	7.0
91.03945	3.9
93.07039	4.7
94.13186	2.6
95.08615	54.2
97.10159	7.5
98.20920	6.6
98.21495	4.5
99.04467	22.7
103.03925	8.6
105.07027	3.8
109.10164	23.0
111.04454	37.1
121.10141	3.1
123.11691	10.3
129.01839	8.4
129.05496	100.0
130.05849	3.4
137.05959	7.8
137.13246	3.1
145.10147	2.7
147.06544	11.6
151.14903	2.3
157.01335	2.9
159.11778	2.8
191.82220	2.8
239.23703	16.1
311.78363	2.7
357.71011	2.8
383.22684	2.9
385.29440	18.8
403.14148	3.2
403.40100	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	403.1395
Annotation	Descurainolide B
Peak:m/z	Relative Intensity
51.02386	2.1
53.03951	4.8
55.01878	4.6
55.19730	2.3
57.03442	4.0
65.03934	5.4
67.05527	5.1
69.03423	6.7
69.07077	5.6
71.51069	4.7
76.52734	2.2
78.04690	3.4
79.05502	18.5
81.03431	4.2
81.07070	11.0
82.87920	2.2
83.08646	2.8
85.02930	4.7
85.06548	3.8
90.04739	2.5
91.05490	34.6
93.07056	11.5
94.04218	5.5
95.04993	9.3
95.08620	7.8
97.06552	2.6
97.10211	2.6
103.05482	29.7
104.06270	7.1
105.03406	19.2
105.07022	17.0
106.04205	4.9
107.04969	24.9
107.08615	6.3
109.06534	8.0
109.10175	7.0
111.04415	3.3
115.05461	9.3
117.03391	9.3
117.07074	4.2
118.04185	5.3
119.04923	11.2
119.08581	3.5
120.05837	2.6
121.06470	11.7
121.10159	2.6
122.03654	17.1
123.04451	4.3
123.08035	3.0
124.05228	2.4
125.06018	4.2
125.09647	2.7
129.01909	3.2
129.07063	3.8
130.04176	4.1
131.04942	65.3
132.05739	48.2
133.02875	41.2
133.06491	15.9
133.10127	3.0
134.03664	5.4
135.04422	5.0
135.08081	2.7
135.11690	3.0
136.05235	3.7
137.05022	4.5
137.06000	58.6
137.07065	3.0
141.01819	2.8
143.04918	3.9
145.02898	4.6
145.06522	2.8
146.03658	7.2
147.04425	19.1
147.11722	3.1
148.05125	4.0
149.02344	3.0
149.06017	21.1
150.03107	3.0
151.03899	4.4
151.07599	5.2
153.05501	9.5
153.06897	3.0
157.01350	3.8
159.04422	8.5
160.05209	25.5
161.02301	12.0
161.05994	36.5
161.13277	2.5
163.03906	8.5
163.07524	8.0
163.11284	3.3
165.01834	10.1
165.05501	91.1
167.03389	3.6
167.07069	61.9
167.08452	4.8
171.04277	2.7
171.11638	3.0
175.03944	9.0
175.07556	4.6
176.04689	4.3
177.05486	38.5
178.06232	3.9
179.07098	11.2
180.07860	21.1
181.04939	11.7
181.08603	3.7
182.09424	6.0
185.09610	2.7
188.04744	2.7
189.05467	3.8
191.07063	38.4
192.07825	100.0
193.01366	8.8
193.04984	42.5
193.06737	3.9
193.08546	15.0
195.06610	3.6
201.09171	2.2
207.06522	6.6
209.08087	6.2
210.08868	8.9
218.07349	3.0
219.06538	7.9
231.06551	12.7
235.07544	6.5
251.07050	2.5
252.77982	2.2
256.97510	2.6
263.07092	6.2
264.07880	3.7
265.05124	2.6
265.08359	2.7
279.10214	5.1
280.07379	8.0
292.07404	2.7
293.08032	4.8
295.06857	2.6
295.09677	17.0
307.09717	7.3
309.11404	2.8
323.09357	3.8
335.09085	3.3
353.10226	41.6
354.10825	3.1
355.11801	6.6
367.11823	13.6
371.23322	2.4
375.14154	2.4
385.08575	3.2
385.12927	9.6
403.13959	9.7
403.24557	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	403.1124
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43670	0.4
52.73806	0.5
56.96565	8.5
69.03425	1.3
70.70735	0.9
71.95273	0.7
82.99862	1.7
85.02917	1.3
86.41431	0.5
97.02915	0.6
98.97594	100.0
100.32372	0.5
100.99155	1.7
101.00893	13.2
101.61855	0.5
103.00643	1.2
109.02909	0.6
110.97561	0.8
112.99151	4.4
113.00870	1.5
113.01577	0.4
115.00570	0.4
115.02442	1.5
116.98634	19.9
118.82976	0.5
119.00188	0.9
119.01939	9.7
121.01689	0.7
124.99146	4.9
127.02438	1.2
128.98618	1.5
129.03902	0.4
131.00172	5.4
131.01909	2.0
133.01718	0.6
133.03490	1.6
133.07086	0.5
134.99669	1.5
137.02962	0.7
138.98216	1.0
139.02446	2.3
143.00189	9.0
143.01871	4.5
144.01962	0.6
145.01717	1.4
145.03491	2.7
146.99658	1.5
149.01227	4.7
155.00191	3.8
155.01904	4.3
157.01688	0.7
157.03481	12.9
158.99678	2.5
161.01236	18.8
161.02928	2.5
163.02765	1.3
163.04588	0.6
165.00662	0.6
167.01991	1.7
167.71503	0.4
168.99373	0.7
169.01775	0.7
169.03537	1.9
171.05121	0.7
173.01262	4.7
173.02972	3.2
175.02884	1.0
175.04568	4.4
177.00832	1.0
179.02286	32.9
180.99223	0.5
185.01346	1.0
185.02914	6.0
187.02800	2.7
187.04555	1.2
191.02335	2.2
197.03305	9.8
199.00398	0.6
199.02843	0.7
203.04091	1.2
205.03865	1.0
205.05624	2.1
215.04137	1.2
219.01837	1.0
221.03316	14.2
223.04802	0.9
223.06653	12.5
227.04094	1.0
229.03870	0.9
239.04402	43.1
240.04797	0.6
241.01422	1.7
241.07730	1.4
245.05087	15.8
245.07498	1.0
246.05299	1.0
247.04723	6.3
247.07254	0.7
257.05402	4.1
259.02530	1.9
262.05936	0.6
263.06174	1.8
265.08023	2.6
267.07492	0.7
275.06152	2.2
277.07910	1.4
279.09268	0.6
281.05359	1.1
289.08017	0.6
295.06918	0.6
301.07684	1.1
305.07352	1.2
343.09244	0.8
367.10956	35.0
368.10895	1.4
385.11047	0.6
399.05557	0.5
403.11279	70.3
404.11737	2.1
420.65329	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
57.23394	1.6
59.05010	8.8
63.98745	1.5
69.03435	3.2
70.06590	10.8
71.51444	2.2
72.08146	2.3
79.05486	2.8
83.05034	1.8
85.02908	4.7
85.06535	2.3
86.09697	4.5
87.04476	32.8
89.06042	65.6
91.05482	3.4
93.07079	2.6
103.03956	100.0
103.07582	3.8
105.07034	2.1
107.04990	1.7
107.08598	3.2
108.08161	1.6
117.07036	1.8
119.07027	2.2
119.08516	1.9
121.08643	3.2
124.07628	1.9
131.07056	10.9
133.08612	48.8
136.07626	2.0
139.03897	1.9
147.04419	1.9
147.06569	8.8
153.05482	2.8
154.08646	5.2
161.05968	2.3
163.03941	1.7
163.09686	3.5
175.09683	6.7
177.05502	3.8
177.11261	15.6
181.04950	2.2
191.09229	9.1
205.08589	3.9
207.12296	3.4
211.07249	1.8
235.11746	6.0
240.07018	2.2
240.12314	3.6
240.15904	1.9
257.15002	1.7
264.60114	1.7
331.11224	2.0
384.15314	2.9
385.21021	11.2
403.14374	2.3
403.19553	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	402.3947
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	0.7
56.05026	0.3
57.07083	6.5
58.06604	2.2
60.04503	0.4
68.05034	0.7
69.07057	0.7
69.31436	1.1
69.31859	1.4
70.06601	17.2
71.08643	2.5
72.08133	0.7
74.06057	0.4
83.08581	0.4
84.08126	0.5
85.10194	1.7
86.09704	0.4
88.07639	22.7
95.08583	0.4
95.62475	0.3
98.17440	0.3
102.09190	14.9
132.10199	1.3
146.11719	0.8
150.11250	1.0
296.33157	1.1
300.87018	0.3
340.35770	39.0
341.36148	1.1
344.17264	0.3
384.38422	2.8
402.39447	100.0
403.39734	2.6
410.83939	0.3
416.47122	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.0729
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10527	2.2
55.01892	2.7
56.96304	4.8
56.96575	88.5
57.03439	9.6
59.05011	4.0
61.02909	3.6
66.15393	2.3
68.06705	2.7
69.03439	13.8
69.17139	26.6
70.06593	6.0
71.01353	7.3
71.05017	3.9
71.95290	2.4
72.08170	3.4
73.02910	3.7
81.03420	7.6
84.08138	2.5
84.96065	14.0
85.02911	21.2
86.99332	3.8
87.04478	3.8
88.04960	2.6
94.99832	5.1
97.01416	2.8
97.02894	14.4
98.97598	100.0
101.00886	17.2
102.97044	2.4
110.97581	42.9
112.99154	6.8
113.00890	38.9
115.00677	2.9
115.02446	11.3
116.98626	17.6
119.01941	12.5
119.04952	2.3
124.99180	5.6
127.02444	6.8
127.03938	6.3
128.98621	21.6
129.00342	4.5
130.93311	4.7
131.00218	7.5
131.01938	48.9
133.03476	11.4
134.99683	2.4
137.06000	2.8
139.02391	2.7
140.98639	4.2
141.00352	6.4
143.00240	13.5
143.01920	13.3
143.31316	2.8
144.98071	5.3
145.03481	23.7
145.05003	4.2
146.99649	4.9
147.01416	5.4
147.03180	3.0
152.98582	8.3
153.00397	4.7
155.01941	12.3
156.98166	3.0
157.03491	10.5
158.38228	2.7
158.99878	12.0
159.01410	39.9
161.01271	13.4
161.02922	13.8
161.06631	4.1
162.99062	3.6
164.98636	12.4
167.01918	5.8
168.88484	2.3
168.98097	6.2
169.03627	12.0
169.04781	2.7
170.99666	14.1
171.01419	18.2
172.94391	5.2
173.02992	8.6
175.04646	4.0
177.00749	6.3
177.02490	10.1
179.02213	9.4
180.98143	31.7
180.99739	4.4
182.03268	2.7
182.99707	50.2
183.01270	4.1
185.02962	9.9
186.99316	3.0
187.00960	5.7
187.04527	4.0
189.00865	4.9
189.02441	4.5
195.01440	5.8
197.03043	21.9
198.99155	30.8
199.00934	34.3
199.02727	4.6
201.00746	46.8
201.02484	10.8
203.04005	5.2
207.01476	2.8
209.03023	2.9
213.00717	5.5
213.02493	13.5
214.95467	2.9
214.98578	3.6
215.04025	5.0
215.07643	4.2
217.00200	16.2
217.01938	14.5
219.01778	54.1
219.03653	6.0
221.03206	5.4
221.05109	3.8
223.00966	8.7
225.02432	9.8
227.04105	3.8
231.03572	14.4
232.96445	4.7
235.01117	3.6
237.02792	48.2
239.04428	16.9
241.00110	6.5
241.02173	15.8
241.11824	2.8
243.03612	5.7
245.05092	5.4
253.02170	4.7
255.03627	9.7
257.05533	3.0
259.00916	14.1
263.06216	3.0
265.02161	5.5
267.01740	10.7
271.03180	6.3
273.04614	5.0
277.02051	12.0
283.03522	6.3
285.02618	4.6
295.02917	9.8
297.04675	11.9
299.02466	9.1
311.02240	6.6
317.03461	5.5
319.05087	2.8
325.02475	46.6
329.03601	19.0
343.04620	52.2
347.04581	8.3
361.04578	11.6
371.04663	8.1
389.05365	6.7
403.06403	5.6
403.07870	4.3
403.11203	25.1
408.11035	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	402.1894
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	4.9
65.03907	2.4
67.05501	3.5
69.03434	3.4
69.07082	2.9
69.81413	2.0
70.06580	2.9
70.32250	4.7
70.32658	6.2
71.04980	7.1
74.56000	2.1
79.05488	8.0
81.03410	3.6
81.07063	43.6
85.02900	7.4
87.08097	3.7
89.06039	3.2
91.05448	2.9
93.07035	5.1
95.08600	3.2
97.02925	4.1
99.08115	16.2
105.07047	3.8
107.04960	5.2
107.08583	4.7
108.05279	2.2
109.10168	8.4
119.02641	13.9
123.11735	10.7
133.10149	4.4
142.79581	2.4
151.07771	2.2
151.11232	4.4
154.08643	13.7
155.10663	3.4
165.09200	2.9
167.07051	11.1
168.07379	5.2
168.16971	2.5
169.07811	7.4
187.08853	7.4
205.09946	100.0
217.08647	4.2
218.09001	4.6
270.08466	2.4
308.10287	2.5
316.08990	5.3
324.13507	2.7
331.11469	7.1
352.12692	5.5
355.23950	2.3
384.15143	9.2
402.16150	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	402.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	7.3
55.05496	3.5
57.03440	25.3
57.13372	3.1
58.37556	3.3
59.05008	38.1
69.03442	23.3
70.68943	4.3
70.69296	7.0
71.01343	12.6
71.04999	29.7
73.02911	10.4
75.04450	4.2
75.71114	3.1
83.01357	11.2
85.02908	86.3
87.04470	8.0
95.01318	9.8
95.04997	4.6
97.02899	28.1
99.00811	5.9
99.04443	29.3
101.02384	7.3
103.03971	6.4
109.02887	4.1
111.04447	8.7
112.93137	3.7
113.02380	36.6
115.03952	5.3
125.02341	4.6
127.03920	26.6
129.01866	4.7
129.05487	18.6
131.03403	7.6
137.02466	3.9
139.03908	9.9
141.01823	20.0
145.04962	96.0
151.03854	6.2
153.01855	5.9
155.03368	12.7
157.04979	10.9
159.02896	10.1
169.05002	4.6
173.04469	30.2
191.05605	16.3
191.25861	3.4
197.04527	3.9
198.82057	3.4
201.03885	7.2
225.03947	8.0
241.47540	3.6
243.04997	9.0
257.06503	4.3
271.04492	100.0
285.06094	9.2
303.03616	3.7
303.07120	19.4
316.36472	4.3
317.08621	14.5
327.25833	3.9
338.10776	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	402.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.2
54.85950	2.9
55.01874	6.4
55.05512	4.9
57.03449	20.4
59.05006	35.5
59.52569	3.1
66.60206	3.0
69.03431	21.4
70.80329	7.1
70.80649	4.0
71.01354	15.4
71.04996	22.3
73.02914	8.6
78.19921	3.1
81.03423	8.5
83.01350	9.0
83.04961	5.4
85.02909	73.9
87.04458	8.2
95.01340	11.3
95.04990	4.4
97.02901	30.7
99.00840	4.6
99.04460	31.3
101.02365	8.1
103.03941	8.9
109.02892	3.9
111.04445	7.5
113.02350	28.3
115.03880	3.3
123.04359	3.5
125.02371	4.8
127.03963	24.3
129.01851	3.8
129.05501	19.3
130.05020	3.0
131.03372	10.1
133.44327	3.8
139.03951	5.5
139.45285	3.0
141.01868	19.4
143.03445	3.2
145.03789	5.1
145.04959	100.0
148.85484	2.9
154.49631	3.6
155.03423	10.9
157.04980	6.4
159.02922	12.9
159.06467	3.7
173.04498	31.8
179.03391	4.6
191.05484	18.3
197.04445	4.3
198.11833	3.2
201.03981	11.4
205.95683	3.5
225.03981	5.2
243.05069	17.7
253.07182	3.9
257.06564	9.5
271.04501	95.9
285.06094	14.9
303.07117	20.0
306.08243	5.9
317.05508	3.3
317.08667	20.2
320.09872	4.4
335.09592	3.9
338.10873	10.4
425.18900	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	402.155
Annotation	papaveroxine intermediate
Peak:m/z	Relative Intensity
51.28873	0.5
53.03952	0.5
55.05517	0.7
67.91307	0.6
68.99807	1.0
69.03439	0.6
70.06599	100.0
71.06931	0.7
71.50524	0.5
72.08170	0.6
79.05482	0.8
81.07083	0.9
85.02948	0.6
86.09707	0.9
91.05489	0.8
95.04959	0.7
96.48134	0.5
103.05480	1.0
105.06957	0.6
107.04968	2.2
121.06545	2.2
123.37672	0.5
129.06987	0.5
135.04433	3.4
136.07661	0.5
139.03911	14.5
149.06023	4.9
154.08701	1.7
159.04396	1.1
163.03908	7.2
165.05489	1.1
167.07079	0.8
175.07570	0.7
177.05482	49.7
178.05844	1.0
181.04970	3.8
189.05481	1.3
197.70920	0.5
222.11285	1.0
227.46201	0.5
234.11327	2.9
240.12456	0.9
279.62137	0.7
327.08667	1.3
345.06055	0.5
345.09717	11.7
384.14880	0.5
385.64920	0.6
402.15497	42.0
403.16046	1.3
422.50208	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64916	3.3
53.03934	3.9
55.01869	5.9
56.74048	3.5
57.03444	29.2
59.05009	23.3
62.11872	3.4
69.03434	26.2
69.21067	3.7
70.62305	7.1
70.62666	7.5
71.01371	30.5
71.05005	28.7
71.97243	3.4
73.02920	10.2
75.04498	4.4
81.03411	6.4
83.01335	7.2
83.04976	3.9
85.02917	94.0
85.03433	4.7
87.04464	11.6
88.36008	3.4
97.02898	37.3
98.97591	10.4
99.00822	7.2
99.04459	33.7
101.02391	7.2
103.03944	10.8
107.05072	4.1
109.02917	4.3
110.97574	5.7
111.04434	7.2
113.02370	43.9
115.03947	7.4
117.05432	4.5
123.04453	4.2
125.02379	5.0
127.03942	30.8
129.01888	5.4
129.05513	8.3
131.03433	19.1
139.03931	7.5
141.01823	39.9
143.03401	4.6
145.04970	73.3
146.94778	3.8
155.03394	6.4
157.04961	7.7
159.02913	23.0
167.20584	3.6
173.04449	63.4
191.05540	41.8
201.03960	3.7
219.01706	4.8
225.03922	9.7
233.06839	8.3
241.03302	6.4
243.05057	4.7
257.06613	6.8
271.04523	100.0
271.07492	4.9
273.05948	6.6
285.06036	8.4
303.07239	23.3
306.08292	7.6
308.92194	3.6
317.08563	7.8
338.10684	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.16
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56875	2.3
53.03944	3.2
55.01868	3.0
55.05513	2.9
61.60273	2.1
67.05508	4.2
67.81827	2.2
69.03410	4.7
70.65173	5.4
71.15574	2.9
75.46120	2.4
78.04706	4.4
79.05502	21.1
81.07045	6.8
83.04994	3.4
85.02901	6.3
91.05499	13.8
93.07049	5.9
95.04968	5.6
95.08604	6.1
97.06572	2.6
103.05483	13.8
105.07018	5.4
107.04967	40.3
107.08565	3.7
109.10177	4.0
115.05450	6.3
116.06219	4.2
117.07011	3.2
119.08587	3.1
123.04410	4.5
123.11605	2.5
124.05187	6.7
128.06210	5.7
129.07005	12.5
131.04955	22.5
131.08595	14.3
133.06465	3.0
137.05939	3.3
137.47980	2.2
141.06996	9.4
144.05699	7.9
145.06441	7.4
151.03935	2.7
152.04666	3.6
153.05501	4.9
156.05727	15.5
157.06491	5.6
158.07297	2.6
159.08064	14.6
161.06010	4.1
163.03906	6.5
165.07001	2.6
167.07063	100.0
168.62926	2.3
169.06445	5.7
170.07231	2.9
173.06013	6.9
175.07524	3.2
177.05537	5.2
181.04933	6.5
181.06439	2.6
184.05234	7.4
186.06914	3.5
187.07544	16.5
189.07063	3.6
190.06282	3.8
191.07054	3.5
193.06491	2.4
193.12265	2.7
195.06538	3.7
195.08110	3.1
197.06038	4.9
202.06221	6.3
202.07837	3.3
203.08653	4.2
204.07870	4.4
205.06870	3.2
205.08611	15.1
207.06532	6.5
207.08279	2.8
207.10141	2.6
208.05174	24.7
210.06836	4.8
217.08609	46.6
219.08102	14.1
219.10129	5.7
220.08881	3.1
221.05962	6.8
221.07916	4.3
221.09840	3.0
225.05382	3.3
226.06172	3.2
229.08630	4.8
231.08096	7.2
231.10089	2.9
232.08871	4.1
233.09747	5.8
234.07010	3.1
235.07541	2.6
236.04753	12.0
236.08328	5.6
239.07103	5.2
240.04253	3.2
245.09550	4.8
246.06950	3.4
247.07487	14.1
247.09703	23.8
248.08293	13.4
249.05527	4.9
249.09070	7.6
252.07474	3.0
253.08853	2.7
254.05757	9.9
255.06415	3.8
259.07538	4.2
261.09039	7.2
262.09879	3.5
263.07190	3.5
263.10657	12.0
264.07770	4.1
265.08505	6.8
267.06561	7.5
268.03711	2.6
269.08118	22.8
271.09695	8.7
272.06763	4.6
275.07022	8.2
276.07806	9.4
277.08530	6.8
278.09415	3.6
279.10132	10.3
280.10880	2.9
281.08115	3.4
282.05475	4.6
282.08850	18.2
285.07437	3.5
290.09241	7.5
291.10138	22.4
293.08231	12.7
293.11267	4.0
295.09570	2.4
299.09183	5.7
300.06430	3.2
301.07138	4.9
305.08112	3.5
307.09598	14.3
308.10419	6.9
309.07819	2.7
309.11206	2.4
310.08325	8.4
315.08633	77.8
316.08981	2.6
319.09698	9.8
321.07663	3.3
323.09326	3.6
323.12839	19.0
325.10492	3.2
328.09372	4.3
330.11026	84.2
331.11829	12.0
336.10028	5.7
337.10751	9.2
339.12292	9.2
343.11826	22.5
351.12253	27.5
352.12833	6.8
353.10175	6.9
356.12631	4.4
368.12579	12.2
369.13358	3.9
371.14847	4.4
373.16599	2.6
383.14957	68.2
401.16150	17.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95079	1.7
53.03951	2.5
69.03438	2.2
69.07055	2.3
69.43353	6.1
69.43772	7.1
71.05000	3.1
72.08156	9.0
74.64672	1.8
78.04739	3.0
79.05505	14.9
81.03432	2.6
81.07057	5.3
86.09711	6.7
91.05486	8.4
92.10780	1.9
93.07054	2.9
93.26576	1.9
94.04170	2.0
95.04990	4.5
103.05499	2.0
105.04485	2.2
105.07027	5.7
106.04179	2.8
107.04964	32.8
107.08619	2.2
109.06560	3.1
115.05469	3.4
119.08617	2.7
121.06521	3.2
123.04470	4.8
124.05231	7.0
128.06223	2.6
129.00992	1.8
129.07018	6.1
131.04929	2.5
131.08585	8.2
133.06506	3.3
137.06020	2.0
141.06993	5.8
144.05733	7.1
145.06509	3.4
146.03642	1.8
152.04735	4.3
156.05692	14.9
157.06519	3.6
159.08083	17.0
161.06009	2.9
163.03918	2.0
165.06935	3.0
167.07057	100.0
172.05278	2.3
173.06024	3.5
174.06694	1.9
175.07593	2.0
181.05013	1.9
181.08597	2.8
184.05269	3.9
186.06787	3.9
187.07587	10.1
190.06346	4.4
191.08542	2.4
193.08696	2.4
195.06561	3.3
202.06281	7.0
203.08688	3.4
205.06670	3.0
205.08586	14.2
207.06528	6.4
208.05232	21.4
208.08789	2.2
217.08583	36.0
217.10385	3.2
218.07269	5.5
219.08078	14.2
219.10307	7.0
220.08896	6.1
221.06119	4.2
225.05629	2.4
226.06181	2.3
229.08589	5.0
230.07231	3.1
231.08086	8.1
231.10141	2.6
233.09607	6.6
235.07536	5.2
236.04713	7.4
236.08305	4.4
237.09081	2.2
241.08565	2.2
245.09645	3.2
247.07507	12.7
247.09735	20.2
248.08348	8.6
249.05595	3.5
249.09128	3.5
250.06273	4.9
251.10695	3.8
254.05824	10.3
256.07309	2.6
259.07620	4.2
261.09000	4.4
262.06235	2.9
262.09964	3.5
263.07156	2.9
263.10745	8.8
264.07867	8.1
265.08521	6.2
266.05936	2.1
267.06534	8.0
269.08102	18.9
271.09839	9.1
272.06683	3.0
275.07016	4.7
276.07742	10.2
277.08667	3.7
279.06937	2.3
279.10202	6.2
282.05582	4.6
282.08893	18.0
285.07657	3.3
287.09207	2.6
290.09381	5.8
291.10132	15.5
292.07224	2.8
293.08154	10.8
295.09497	2.5
299.09235	5.0
300.06607	2.9
301.07227	3.7
305.07996	2.6
307.09521	13.5
308.10489	5.8
309.07547	2.7
309.11090	2.7
310.08380	6.4
311.12555	3.0
315.08646	65.7
319.09717	10.3
320.10529	2.5
321.07605	4.4
321.11166	3.0
323.09528	2.8
323.12805	15.8
328.09409	5.2
330.10999	78.3
331.11786	9.2
335.08972	3.6
336.09952	8.7
337.10648	6.3
339.12286	8.4
343.11795	17.5
351.12317	25.9
352.13138	3.4
353.10135	5.9
356.12460	3.9
368.12637	7.5
369.13470	4.7
371.14835	3.7
373.16162	2.4
383.14920	60.8
401.16180	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	401.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.9
69.30190	14.6
78.04733	2.4
79.05498	15.6
81.07048	3.0
85.02898	3.9
91.05476	9.2
95.04969	3.5
103.05473	4.3
103.07264	2.0
105.07016	3.7
107.04961	35.4
113.96519	1.8
115.05452	4.7
115.19051	2.0
116.06223	4.3
119.08588	3.3
121.06470	2.1
122.03646	1.8
123.04437	3.0
124.05199	5.5
125.06030	4.0
128.06190	4.2
129.07001	8.9
131.04913	4.4
131.08534	12.5
137.05989	3.7
141.07004	3.5
144.05693	8.0
145.06476	4.4
152.04681	4.6
153.05458	3.9
156.05731	16.4
157.06444	2.4
159.08101	20.3
161.05968	3.3
163.03854	4.6
165.06972	2.1
165.12775	3.3
167.07056	100.0
169.06419	2.5
170.07294	2.1
173.05925	3.3
177.05426	2.6
179.06958	2.8
181.04944	4.0
181.08597	5.0
182.07260	2.8
183.06612	2.3
184.05203	4.0
186.06798	5.9
187.07553	14.0
187.68082	1.9
190.06265	3.3
191.06892	2.4
191.08533	2.6
193.06509	3.2
195.06514	4.7
201.09090	2.6
202.06244	6.1
202.07870	2.3
203.08527	3.6
205.06631	3.6
205.08589	17.1
207.06505	6.3
207.08228	2.4
208.05202	14.5
208.08644	2.2
210.06731	4.7
211.07553	3.0
215.08682	3.0
217.08595	41.4
217.62309	2.0
218.07291	3.6
219.08035	11.4
219.10185	7.7
220.08856	4.0
221.05946	4.0
221.09625	2.8
229.08574	4.5
231.08069	10.2
231.10110	3.3
232.08923	2.6
233.09689	6.6
234.06772	4.0
235.07529	4.0
236.04680	6.2
236.08286	4.7
238.06296	3.8
239.07011	4.4
240.04121	2.4
245.09875	2.3
245.43901	2.4
246.06870	3.6
247.07483	10.8
247.09695	32.9
248.08395	11.2
249.09148	4.6
250.06102	2.7
251.10725	2.5
254.05743	8.3
256.07483	2.4
259.07498	4.3
261.09167	4.6
262.09921	3.0
263.07056	4.0
263.10657	8.5
264.07831	8.8
265.08688	6.8
267.06558	6.5
269.08081	16.4
271.06061	2.1
271.09613	10.7
272.06808	4.8
273.09189	2.4
275.06998	8.4
276.07834	7.5
277.08624	6.8
278.09302	3.2
279.06619	2.6
279.10150	8.4
280.07162	2.3
281.08154	2.2
282.05496	2.8
282.08902	9.5
289.08508	2.3
290.09363	4.8
291.06973	3.0
291.10004	11.9
292.07544	2.7
292.10852	3.0
293.08096	11.3
299.09232	4.9
301.07004	3.3
304.07346	2.9
305.08081	4.3
307.09662	12.1
308.10391	8.5
310.08469	4.2
311.12836	3.8
315.05200	4.0
315.08633	55.2
315.12296	2.6
316.09366	2.7
318.08774	2.8
319.09647	7.8
320.10208	2.5
321.07553	4.0
323.12860	14.9
328.09363	5.2
330.10977	68.7
330.14911	3.6
331.11761	13.4
336.09946	5.7
337.10690	5.4
339.12415	10.2
343.11844	17.5
351.12314	26.2
352.12863	4.4
353.10117	7.6
368.12595	8.4
369.13742	4.2
371.14954	7.5
383.10260	4.4
383.14938	57.6
384.14859	2.0
388.01810	2.1
401.16089	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	401.16
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.9
55.01864	2.9
57.03434	1.7
65.03925	1.8
67.05489	1.9
69.03432	3.3
71.00269	3.0
71.04989	2.2
72.08150	2.0
79.05499	19.8
81.03431	2.0
81.07054	7.2
85.02916	4.2
85.06574	2.3
91.05469	10.2
93.07053	4.3
95.04981	5.9
95.08616	4.8
103.05463	3.2
105.04514	2.1
105.07047	6.6
106.04167	1.9
107.04964	31.9
107.08611	4.4
109.06526	3.2
109.10144	3.9
111.08036	2.0
115.05450	5.1
116.06287	2.7
117.07061	4.1
119.04987	2.6
119.08587	3.6
121.02855	2.6
121.06506	2.7
121.10117	1.9
123.03586	1.7
123.04433	6.5
123.08116	2.7
124.05242	8.1
125.06020	2.3
128.06230	3.6
129.07008	7.5
131.04926	5.5
131.08562	11.4
133.10155	4.4
135.04388	2.5
135.11716	2.1
137.05942	1.7
141.06981	4.3
143.04935	2.0
144.05753	10.1
145.06467	6.0
151.04080	1.9
151.07581	2.4
152.04700	3.4
153.05476	2.6
153.06888	1.6
156.05695	13.5
157.06496	4.5
157.10141	2.0
159.08081	18.3
161.05986	4.7
163.03975	3.3
165.06979	4.1
167.07065	100.0
169.06483	1.9
172.05223	2.0
173.06015	6.3
175.07610	2.4
176.04703	2.5
177.05470	3.7
179.07076	3.1
181.05000	4.0
181.08603	3.7
183.06544	2.8
184.05203	4.6
186.06807	5.0
187.07578	10.1
190.06253	3.4
190.07866	2.3
191.06990	2.8
191.08565	4.0
193.08618	2.7
195.06554	4.5
197.08012	2.0
202.06264	6.9
202.07921	2.8
203.06995	3.9
203.08696	3.4
204.07777	3.1
205.06694	3.2
205.08607	15.6
206.07204	2.4
207.06453	6.5
207.08250	3.3
207.10208	2.9
208.05217	22.5
208.08804	4.5
209.08028	2.5
210.06807	3.0
211.07487	2.5
215.07001	2.4
217.06573	3.6
217.08595	35.2
217.10631	2.3
218.07265	5.8
219.08052	12.9
219.10190	9.1
220.08849	6.3
221.05974	8.8
221.07997	3.3
229.08592	4.7
231.08078	8.2
231.10155	3.7
232.08926	2.1
233.05997	2.4
233.09737	5.1
234.06805	2.3
235.07564	3.9
236.04704	7.1
236.08328	4.9
237.08997	2.7
238.06314	1.8
239.08727	3.4
240.04065	3.0
241.08752	2.4
245.09645	4.8
246.06891	2.8
247.07498	15.3
247.09709	22.7
248.08327	14.5
249.05426	4.0
249.09010	4.2
250.06296	2.8
251.06963	2.3
251.10695	2.3
253.08682	2.4
254.03551	1.7
254.05756	12.2
259.07590	2.7
260.08304	2.3
261.09244	5.0
262.06241	2.5
262.09854	4.6
263.07022	3.4
263.10657	11.1
264.04095	2.0
264.07819	8.1
265.08585	5.5
266.05890	2.5
267.06561	7.2
268.03781	2.9
268.10941	1.8
268.15363	1.9
269.08105	26.2
271.09763	7.8
272.06818	3.9
275.07068	7.1
276.07697	10.2
277.08643	5.9
279.06934	1.8
279.10153	8.7
281.08234	3.8
282.05676	3.0
282.08908	16.0
285.07584	3.8
287.09381	1.8
290.09467	6.3
291.06998	3.3
291.10187	20.7
292.07239	5.5
292.10544	3.6
293.08099	12.8
295.09644	2.5
296.10553	2.6
299.05640	3.9
299.09149	5.6
300.06323	4.2
301.07004	3.1
305.08234	2.7
306.08984	1.6
307.09744	11.4
308.10522	6.7
309.07544	1.8
309.10974	3.2
310.08435	7.9
311.12753	3.8
315.08664	72.6
316.09116	3.6
318.23721	1.8
319.09610	8.0
320.10361	3.5
321.07556	4.7
321.11203	3.4
322.08411	2.3
322.11768	2.1
323.09564	2.4
323.12750	14.3
325.10593	2.4
328.09531	3.6
330.11002	87.1
331.11731	11.1
335.09146	2.2
336.09894	5.1
337.10687	6.5
339.12241	10.5
341.10318	2.0
343.11789	22.6
350.11313	2.0
351.12320	29.8
352.13077	5.6
353.06430	3.5
353.10294	5.9
356.12534	3.7
368.12637	8.7
369.13443	4.9
371.15082	5.0
383.07251	3.8
383.14969	64.0
401.08517	3.0
401.10910	2.3
401.15970	20.8
401.20908	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	4.4
53.78350	2.9
55.01881	3.2
65.03963	3.3
67.05496	3.8
69.03418	3.7
70.06590	5.7
70.48730	8.1
71.04976	4.1
79.05505	23.1
79.98151	3.1
81.03415	2.9
81.07049	9.6
85.02872	3.6
86.09737	2.5
91.05481	11.5
93.07033	5.8
95.04954	8.4
95.08605	4.9
103.05431	4.9
105.07005	7.1
107.04958	37.1
109.06520	3.3
115.05434	4.0
116.06175	2.9
117.07009	4.7
119.08574	5.3
121.06525	4.8
123.04426	6.1
123.08062	3.1
124.05235	5.9
128.06221	6.5
129.07008	11.8
131.08591	16.8
137.06004	4.0
141.06995	7.0
144.05692	9.3
145.06462	7.7
147.04411	3.7
149.05989	2.6
151.03947	5.4
152.04732	3.3
153.05513	3.9
153.06775	2.7
154.08530	3.0
156.05687	16.5
157.06464	3.8
159.08061	24.0
161.06015	5.4
163.14761	2.6
167.07047	100.0
169.06421	3.5
169.07762	3.7
170.07306	4.3
171.08151	3.1
171.11681	3.0
172.05112	3.6
173.06021	6.0
175.07516	2.7
179.07077	3.8
181.04974	5.2
181.08621	4.5
182.07260	3.4
183.06525	7.3
186.06792	5.6
187.07578	17.3
190.06137	2.6
193.08563	2.9
195.06593	3.5
202.06245	8.1
203.06992	5.4
205.06738	4.6
205.08401	15.2
207.06560	8.5
208.05212	17.9
210.06778	4.0
211.07585	4.4
217.08591	44.9
218.07283	6.4
219.08017	11.8
219.10176	12.0
220.08720	4.6
221.06108	5.5
229.08647	5.2
231.08005	7.4
231.10173	9.0
233.09566	4.1
233.15292	2.8
235.07568	3.2
236.04697	7.6
236.08426	3.7
237.09021	3.3
238.06326	2.8
239.07002	2.8
241.05025	3.4
246.06927	3.1
247.07494	13.1
247.09700	25.4
248.08281	13.2
249.05502	3.0
249.08990	5.0
253.26373	2.7
253.69278	2.8
254.05765	5.4
255.06520	4.0
256.07352	3.7
259.07596	5.3
261.09274	4.2
262.06125	3.3
262.09872	5.1
263.07303	4.7
263.10645	9.1
264.07751	7.8
265.08524	5.9
267.06549	8.6
269.08084	21.7
271.09607	10.3
275.07050	7.2
276.07819	8.9
277.08560	6.2
279.10229	11.3
280.10461	2.6
281.08215	3.2
282.08914	12.4
287.09512	2.7
289.08887	3.5
290.09250	3.5
291.07175	3.1
291.10037	12.2
292.07309	8.0
292.10593	3.3
293.08109	11.0
295.09598	3.8
299.09250	6.0
301.07031	4.4
304.07184	3.6
307.09528	13.1
308.10287	5.9
309.11234	3.3
310.08353	6.4
311.09140	3.3
311.12570	4.3
315.08646	51.7
316.09137	4.4
319.09711	9.5
323.09430	4.4
323.12723	16.6
324.09821	3.3
328.09302	4.4
330.10971	58.7
331.11783	12.2
336.09912	9.1
337.10709	10.4
339.12195	9.4
343.11646	16.1
351.12289	31.7
352.12933	4.4
353.10214	12.1
356.12366	4.9
368.12494	9.8
371.14865	5.0
383.10309	4.8
383.14935	76.9
401.16071	25.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1601
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.5
55.01877	4.1
55.05514	3.1
64.46680	1.8
65.03960	2.1
69.03441	2.9
70.84505	4.2
70.84875	4.3
75.22863	2.3
79.05500	19.5
81.03396	2.0
81.07068	5.9
85.02915	5.4
86.81599	1.9
91.05486	8.8
91.52441	1.9
93.07066	5.3
95.04987	4.4
95.08631	4.6
103.05492	8.0
105.03382	3.3
105.07034	7.0
106.04229	3.1
107.04972	33.3
107.08620	3.8
109.10193	3.7
111.04477	2.5
115.05455	6.7
116.06272	3.6
117.07049	4.7
119.04980	3.2
119.08596	5.5
121.06506	2.7
121.10145	3.6
123.04429	5.8
123.08037	2.7
124.05235	8.0
125.05997	3.4
126.68760	2.0
128.06253	5.5
129.07027	6.9
130.07745	2.4
131.04939	10.1
131.08582	9.9
131.35223	1.9
132.05658	3.6
133.06494	3.5
133.10114	2.2
135.04526	1.9
135.11694	3.4
137.05914	2.2
141.07014	7.0
144.05711	8.3
145.06543	7.1
147.04517	2.5
147.11676	2.6
152.04701	3.2
156.05690	14.6
157.06541	4.8
159.08057	16.7
163.03928	3.2
165.09230	2.2
167.07062	100.0
173.05963	4.1
175.07610	2.5
175.14883	3.3
177.05498	3.8
179.07045	2.2
181.04991	3.2
181.08650	4.4
184.05240	5.2
186.06830	4.3
187.07642	8.5
190.06297	3.1
191.07056	4.1
191.08644	2.6
192.09259	2.8
193.06587	2.7
193.08655	3.4
195.06471	5.2
195.08139	2.9
201.09140	2.6
202.06268	6.1
202.07924	2.5
205.06656	2.6
205.08528	17.4
205.10168	2.5
206.07385	2.2
207.06503	5.2
208.05229	23.4
208.08745	2.6
209.08060	2.8
215.06877	4.1
215.08731	3.3
217.08603	36.2
218.07234	3.8
219.08112	12.6
219.10205	5.9
220.08778	4.8
221.06073	8.3
221.09660	2.3
222.06552	2.3
226.06194	2.4
227.06885	2.2
229.08644	5.8
230.07254	3.3
231.08049	10.4
231.10207	4.4
232.08942	2.4
233.05933	2.9
233.09628	5.0
234.06726	2.5
235.07594	3.9
236.04689	7.8
236.08351	4.6
238.06291	3.1
240.04111	3.6
241.08754	3.5
245.09573	3.3
246.06781	2.8
247.07524	12.7
247.09732	23.6
248.08418	14.5
249.09125	2.4
254.05716	10.7
259.07581	4.4
260.08331	3.0
261.09329	4.7
262.06134	3.0
262.09805	2.8
263.07175	4.4
263.10742	11.1
264.07843	9.5
265.08716	5.4
267.06595	8.9
269.08072	21.0
271.06616	2.2
271.09702	8.7
272.06989	3.7
273.09113	2.6
275.06943	6.9
276.07782	6.5
277.08548	5.4
279.10226	12.1
282.05475	3.8
282.08899	18.7
290.09424	3.3
291.06946	4.3
291.10181	17.8
292.07315	4.0
292.10794	2.7
293.08060	11.6
297.07544	2.9
299.09213	6.0
300.09799	3.0
301.06946	4.4
304.07336	2.7
305.07959	3.7
307.09726	11.8
308.10565	6.6
309.07599	2.9
309.11087	2.6
310.08414	7.8
311.12772	4.4
313.10641	4.0
315.08667	75.8
319.09714	8.7
321.07617	5.4
323.12753	15.6
325.10693	4.2
328.09543	5.9
330.10999	88.0
331.11710	14.2
336.09747	5.0
337.10669	7.7
339.12283	9.3
343.11862	21.8
351.12335	29.9
352.12939	3.6
353.10214	7.2
356.12698	2.8
368.12622	12.1
369.13348	4.5
371.14905	4.5
383.14944	58.8
401.16360	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	400.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50208	2.2
53.03940	3.1
55.01884	5.7
56.22486	2.2
57.03440	5.6
58.02963	5.7
59.05005	12.0
61.02932	11.9
65.06053	2.8
69.03426	15.6
70.06596	43.4
71.01357	20.8
71.05009	13.8
71.50410	2.3
71.50824	2.8
72.08178	4.4
73.02922	43.1
75.04488	34.0
79.04619	3.4
81.03424	6.4
81.46435	2.7
83.01337	5.5
84.04507	6.4
84.08147	3.0
85.02914	38.3
86.09711	14.7
87.00845	2.3
87.04480	32.9
88.04041	2.6
93.07043	2.9
95.01307	3.0
95.06101	9.1
97.02898	27.1
99.04472	13.2
101.02398	13.2
103.03947	22.2
105.05525	5.4
109.02914	4.0
111.04474	6.7
112.08738	8.5
113.02370	25.5
115.03934	19.5
115.08716	6.7
118.05034	19.4
119.03397	12.8
120.08110	3.2
121.05010	4.6
125.02363	10.2
127.03899	17.1
129.01849	39.3
131.03416	37.8
133.04977	26.2
135.08134	2.6
138.09181	2.6
139.03935	4.7
141.01849	4.4
143.03398	12.9
145.04973	30.1
148.07553	3.1
151.08722	2.4
153.01828	13.2
157.04985	7.9
157.06310	2.5
161.04477	100.0
166.08678	2.9
167.03432	4.0
171.02879	23.2
175.06053	6.3
181.04996	3.7
185.04532	4.1
187.05975	5.0
189.03955	38.1
194.08174	7.3
197.04326	2.6
201.04010	5.7
201.12401	3.6
203.05513	20.9
211.11923	3.2
213.03909	13.3
215.05574	6.0
221.06575	58.6
231.05055	7.2
238.10707	3.0
238.12924	5.3
245.06548	7.5
262.10965	3.0
289.87848	2.1
300.21426	2.6
311.01068	2.5
333.08066	2.7
356.19791	9.1
364.14038	2.8
370.19159	4.1
390.02612	2.8
399.71475	46.5
400.16907	2.8
400.21704	14.1
400.71851	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	400.3787
Annotation	N-hexanoylsphinganine
Peak:m/z	Relative Intensity
55.05517	7.8
56.05030	0.5
57.07084	1.5
58.06602	1.8
61.62110	0.3
63.26793	0.3
67.05498	0.4
68.05012	0.5
69.07076	7.2
69.95239	1.6
70.06598	15.2
71.08623	0.7
72.08137	0.7
73.61023	0.3
74.06088	0.8
81.07045	0.8
83.08622	2.9
84.08112	0.4
85.10159	0.5
86.06041	0.3
86.09710	0.7
88.07637	27.0
90.09174	0.3
95.08575	0.5
97.10165	1.3
102.09188	12.2
115.71857	0.3
117.24136	0.3
132.10217	1.4
146.11716	0.7
150.11234	0.8
150.57220	0.3
209.31268	0.3
264.54004	0.3
338.34174	29.3
339.34396	0.6
382.36755	2.4
400.37875	100.0
401.38342	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.2383
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.4
55.01851	0.9
55.05506	2.6
57.07057	0.8
61.02919	0.7
66.36415	0.7
67.05514	6.9
69.03088	1.0
69.03439	17.9
69.07069	3.1
70.06587	1.0
70.55198	1.2
70.55537	0.7
75.12932	0.6
75.13897	0.7
79.05485	2.8
81.03426	1.3
81.06648	0.9
81.07069	9.1
83.04966	1.4
83.08613	1.1
84.52024	0.7
84.70314	0.6
85.02916	9.1
85.06547	5.2
87.72027	0.7
91.03972	0.6
91.05465	3.6
93.06488	1.4
93.07056	22.8
95.04945	1.8
95.08616	7.4
97.02883	2.7
97.06532	2.9
97.10172	0.8
104.92441	0.7
105.07039	4.3
107.04960	2.6
107.08605	13.4
109.02886	0.8
109.06539	4.6
109.10171	23.7
111.04408	0.9
111.08089	7.3
117.06997	1.0
119.08597	4.9
121.06514	3.3
121.10160	8.4
122.07273	1.0
123.08100	4.6
123.11726	6.2
125.09629	1.1
127.03915	2.1
131.08609	3.2
131.16531	0.6
133.10121	2.7
135.08080	11.2
135.11716	27.1
137.06024	0.8
137.09628	13.1
145.04984	1.8
145.10143	5.8
147.11688	1.5
149.09596	1.9
149.13264	2.2
151.11243	0.9
154.75728	0.7
159.11713	5.0
161.09622	1.5
161.13295	3.2
163.11220	6.4
173.13283	1.6
175.14830	1.0
176.12033	1.5
177.12784	1.3
177.16412	2.7
190.87639	0.6
191.18011	1.3
201.16425	7.7
219.17464	100.0
220.17729	2.4
223.11394	0.9
237.18547	2.6
399.15225	1.2
399.24121	1.6
399.56296	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	2.7
57.03421	6.6
58.02959	2.5
59.05008	44.7
61.02916	10.7
64.27938	2.2
69.03428	12.6
69.58618	6.2
69.59028	8.7
70.06595	5.2
71.01345	11.6
71.05000	13.2
71.47854	2.4
72.14063	2.0
73.02926	16.4
75.04498	15.8
81.07058	2.7
84.11189	2.2
85.02911	34.2
86.09709	2.6
87.04449	16.5
95.01364	3.5
97.02894	20.9
99.04451	12.6
101.02358	3.4
103.03964	19.5
103.05443	4.0
104.05769	2.7
109.02857	3.7
110.06019	3.0
111.04446	5.7
113.02366	8.4
115.03945	8.6
118.05019	7.6
120.08035	2.7
121.02870	2.4
124.07626	2.4
125.02374	7.3
127.03931	16.5
129.01860	3.3
129.05461	6.8
131.03416	41.7
131.04938	7.0
132.05345	3.3
133.04965	8.4
138.05534	2.6
139.03914	2.5
143.03392	3.8
145.04967	100.0
147.04445	2.8
152.05809	4.4
152.07074	29.5
153.01859	11.7
153.07436	21.7
157.05013	6.2
161.04506	37.6
163.07460	2.4
164.07951	2.7
165.50246	2.3
166.08614	6.7
167.03418	5.3
167.09019	6.8
171.02922	12.0
175.05981	3.4
175.29097	2.3
182.08188	12.2
183.08438	10.0
185.04491	4.4
186.54205	2.4
187.05986	4.6
189.03954	14.5
194.08150	26.0
195.08487	33.0
197.04555	3.0
203.05571	4.4
212.09178	25.1
213.03941	11.5
213.09541	28.2
215.05540	3.2
216.12013	2.6
217.07039	3.0
218.23943	2.3
221.06567	14.6
230.10242	3.7
231.04959	8.4
238.12979	11.1
245.06310	3.2
245.65190	2.4
272.11157	5.5
318.11786	3.5
364.15781	8.5
401.17838	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.2383
Annotation	Hypochoeroside K
Peak:m/z	Relative Intensity
53.03946	1.4
55.01851	0.9
55.05506	2.6
57.07057	0.8
61.02919	0.7
66.36415	0.7
67.05514	6.9
69.03088	1.0
69.03439	17.9
69.07069	3.1
70.06587	1.0
70.55198	1.2
70.55537	0.7
75.12932	0.6
75.13897	0.7
79.05485	2.8
81.03426	1.3
81.06648	0.9
81.07069	9.1
83.04966	1.4
83.08613	1.1
84.52024	0.7
84.70314	0.6
85.02916	9.1
85.06547	5.2
87.72027	0.7
91.03972	0.6
91.05465	3.6
93.06488	1.4
93.07056	22.8
95.04945	1.8
95.08616	7.4
97.02883	2.7
97.06532	2.9
97.10172	0.8
104.92441	0.7
105.07039	4.3
107.04960	2.6
107.08605	13.4
109.02886	0.8
109.06539	4.6
109.10171	23.7
111.04408	0.9
111.08089	7.3
117.06997	1.0
119.08597	4.9
121.06514	3.3
121.10160	8.4
122.07273	1.0
123.08100	4.6
123.11726	6.2
125.09629	1.1
127.03915	2.1
131.08609	3.2
131.16531	0.6
133.10121	2.7
135.08080	11.2
135.11716	27.1
137.06024	0.8
137.09628	13.1
145.04984	1.8
145.10143	5.8
147.11688	1.5
149.09596	1.9
149.13264	2.2
151.11243	0.9
154.75728	0.7
159.11713	5.0
161.09622	1.5
161.13295	3.2
163.11220	6.4
173.13283	1.6
175.14830	1.0
176.12033	1.5
177.12784	1.3
177.16412	2.7
190.87639	0.6
191.18011	1.3
201.16425	7.7
219.17464	100.0
220.17729	2.4
223.11394	0.9
237.18547	2.6
399.15225	1.2
399.24121	1.6
399.56296	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54888	1.0
53.03939	1.3
55.01873	1.6
56.60294	1.0
59.04994	1.5
60.10657	1.0
65.84678	0.9
67.05502	1.9
69.03426	4.4
70.06592	1.6
70.66405	3.3
71.04977	2.0
72.08152	1.5
73.02920	1.6
79.05494	2.4
81.03424	2.0
81.07080	1.9
85.02905	7.5
93.07036	1.7
94.06567	2.2
97.02903	2.2
99.04453	1.8
103.03963	1.5
103.05483	6.3
105.07053	1.7
107.04907	1.0
110.06045	2.7
111.15215	1.0
119.08613	1.7
120.04445	1.6
122.06033	2.8
124.07590	2.0
127.03918	2.5
131.03442	1.5
131.04941	19.0
137.04765	2.2
138.05472	5.8
145.04936	5.8
146.87262	1.2
148.05225	1.6
151.06320	1.7
152.07076	95.8
153.07535	1.2
154.08669	1.9
161.04460	1.8
161.05937	1.3
163.07576	7.7
164.07005	1.5
166.08652	21.4
167.05815	2.1
182.08142	44.5
184.07603	1.4
194.08136	100.0
195.08463	1.5
198.09186	2.8
199.08615	1.4
200.09230	7.6
201.10388	1.5
212.09192	91.8
215.11743	6.0
226.08713	1.8
227.08191	3.0
228.10463	1.3
229.09694	4.2
243.11356	8.2
253.09816	1.7
257.09204	2.2
271.10846	16.8
299.10214	4.4
317.11319	7.7
331.13049	1.2
335.12537	3.3
363.15414	12.3
381.16693	2.0
399.16309	4.4
404.87009	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1652
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.0
55.01869	2.2
57.03444	6.5
59.04960	0.8
61.02924	2.6
67.05501	1.1
69.03436	10.5
69.64931	0.8
70.06590	1.8
71.04980	2.1
71.39012	0.8
72.08171	1.4
73.02921	2.3
75.04500	1.0
79.05498	1.2
80.47118	0.8
81.03414	5.1
81.07078	1.2
85.02911	25.1
86.09713	1.0
87.04478	1.7
91.03985	0.9
91.05465	1.5
93.07032	1.1
95.04935	1.2
97.02896	8.5
99.04462	3.3
102.04647	1.0
103.03973	2.6
103.05478	49.8
105.07040	2.7
109.02903	5.2
109.10191	1.1
111.04449	1.0
117.05501	1.9
119.08604	1.2
125.70384	0.8
127.03918	8.7
129.05521	1.9
130.04173	1.9
131.04939	100.0
132.05246	1.6
133.06482	1.0
145.04997	4.3
148.05199	11.9
152.07124	1.2
157.06480	0.9
161.05994	3.6
161.13351	0.9
162.06836	1.0
163.07553	46.1
175.07559	1.6
194.08170	0.8
201.09122	3.6
212.09258	1.2
219.10182	1.7
222.89494	0.9
237.11212	1.7
290.61923	0.8
399.16278	5.3
399.23532	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44052	4.3
55.01867	8.8
55.05525	6.0
57.07095	7.3
58.97745	4.5
67.05508	8.3
67.84982	5.1
69.07077	8.9
69.64915	28.1
71.08640	5.9
79.05502	5.1
81.02366	4.5
81.07095	11.6
85.06568	6.6
89.27088	4.3
91.05509	17.5
91.63081	4.2
93.07021	10.6
94.04275	4.4
95.05001	6.8
95.08610	8.3
101.06033	8.5
105.07043	14.5
107.08612	8.2
109.10161	7.4
109.52041	4.2
117.07044	6.4
119.08606	9.0
121.10180	4.6
122.03679	14.7
131.08612	7.2
133.06525	5.7
133.10165	8.1
135.11725	4.6
137.05989	79.4
143.08560	5.4
145.06480	5.4
146.03664	9.4
147.04417	5.1
155.04950	8.0
158.48012	4.5
159.07997	4.6
161.05983	14.2
161.13336	5.9
169.10014	4.8
172.03880	4.9
183.11697	4.7
189.07068	6.7
190.07784	14.2
191.08615	13.0
202.07976	6.0
207.08160	9.2
215.07021	11.8
218.07343	21.5
219.08130	27.6
221.05960	6.0
229.06546	17.5
235.07570	15.7
236.08253	12.2
246.06804	19.6
247.07524	20.1
248.08353	5.0
257.06140	6.8
261.09149	40.8
263.07190	12.6
264.07913	9.5
266.21399	5.5
267.21472	12.6
274.06229	29.6
275.07013	12.1
277.08563	6.0
278.09537	11.5
279.10251	11.5
289.08658	53.5
290.09509	13.9
291.06461	5.2
292.07336	5.8
293.86462	6.2
306.09003	17.7
307.09625	66.9
313.22153	7.0
321.11243	100.0
339.12231	14.4
408.40417	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	399.0605
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57206	0.7
56.96568	38.5
57.03426	1.0
59.06127	0.8
60.04519	1.7
60.19111	0.8
61.02901	1.2
69.03429	4.8
70.06586	1.5
71.04987	1.2
71.95266	1.9
72.08144	3.6
73.02895	1.3
73.28165	0.9
74.97603	1.0
79.05478	1.3
81.03413	1.7
84.96037	16.1
85.02907	7.3
85.06522	0.8
86.03242	1.1
87.04458	1.1
95.04945	0.9
97.02892	7.3
98.97590	100.0
102.97031	1.2
110.97574	30.3
111.04432	1.0
112.99138	5.9
114.42461	0.8
116.98626	28.3
119.04937	1.0
121.06408	0.9
124.99121	3.8
126.97048	2.2
127.03926	2.2
128.98615	20.4
131.00160	4.6
134.99644	6.0
136.06172	3.0
139.05861	0.8
140.98566	5.2
143.00165	17.8
144.98079	4.2
146.99660	5.6
147.04413	3.0
148.04739	1.3
149.01196	1.5
149.05940	0.8
151.00685	1.5
152.98631	1.9
154.82825	0.8
155.00128	1.0
158.99669	10.7
160.99968	1.6
161.01228	19.9
162.99181	1.9
167.07005	1.5
169.01720	2.0
170.99680	5.7
173.01234	1.0
174.99168	1.4
176.98691	2.3
177.00757	9.0
177.05501	1.3
179.02287	3.8
181.95180	0.7
181.98828	1.0
182.01224	0.7
182.99638	2.9
189.00656	4.8
194.99675	16.7
195.01570	1.5
200.00037	1.1
201.00703	9.7
207.01773	1.5
213.00719	48.8
214.01114	1.0
218.99834	2.1
219.01765	40.4
223.05501	1.5
227.06827	0.8
231.01779	19.6
233.06807	1.8
233.56985	1.1
237.00764	1.9
237.02814	41.1
250.09384	2.2
255.01764	6.5
255.03839	1.4
261.02930	2.4
267.01804	1.6
273.00430	1.8
279.01627	2.0
279.04059	1.5
281.03076	1.8
285.02823	1.6
290.48755	0.8
291.01685	5.7
292.27887	0.8
293.88266	0.8
297.02872	2.3
299.04208	1.0
309.02698	1.1
321.02841	3.3
339.03842	14.3
357.04910	21.6
375.06042	4.4
398.27335	1.7
399.05966	39.6
399.12656	2.2
399.28180	0.8
417.06955	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	398.9764
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11160	0.3
56.96294	0.5
56.96567	7.0
70.48639	0.4
70.48956	0.6
71.95267	2.5
90.10631	0.3
98.21529	0.4
98.97586	96.4
101.13672	0.3
114.65193	0.3
116.98627	37.5
118.28573	0.4
122.43316	0.4
122.55020	0.3
130.93298	0.7
134.99661	7.6
140.00162	0.6
153.00763	0.4
154.62238	0.3
154.93291	0.4
156.96977	0.3
172.94351	5.7
190.95410	2.8
208.96576	0.5
214.95363	3.4
230.98474	0.4
232.96448	5.6
250.97533	2.6
251.08127	0.4
256.96436	19.1
258.99802	3.0
260.99744	0.3
261.03198	0.5
262.03064	0.4
274.97519	100.0
275.97943	1.0
277.00781	3.0
283.00171	0.6
285.00055	0.6
292.98572	40.7
297.99036	1.8
298.97961	0.8
301.01077	0.4
316.00198	0.8
316.98941	1.0
374.99527	0.4
398.97742	1.5
416.98425	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	398.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.4
55.05505	0.3
57.03426	0.4
61.02932	0.3
65.03941	0.7
67.05495	0.3
69.03421	1.3
69.43281	1.5
69.43700	0.6
70.06596	0.8
71.05029	0.3
71.46439	0.3
72.08166	7.9
73.06561	0.4
73.72233	0.3
79.05456	0.3
81.03424	0.5
81.07079	0.4
84.08147	0.4
85.02899	2.3
90.09199	2.7
91.05493	6.0
97.02908	0.8
99.04485	0.3
109.02901	0.5
110.06027	0.3
119.04959	16.4
127.03874	0.4
133.10062	0.4
136.82178	0.3
147.04425	100.0
148.04778	1.2
152.75977	0.3
154.76659	0.3
167.07063	0.3
171.11739	0.3
183.10170	0.3
189.05482	0.4
236.12834	7.2
240.69339	0.3
257.30273	0.3
291.08585	0.5
309.09726	1.0
398.13638	0.4
398.18198	0.7
411.18436	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.347
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	22.6
56.59173	3.9
57.07075	12.9
59.04999	5.5
59.80683	3.9
67.05508	47.2
69.07069	47.0
70.11785	7.9
70.12141	15.8
71.05011	7.3
71.08614	7.0
72.04491	5.8
72.08148	9.4
79.05486	24.5
81.07063	81.2
83.08624	18.8
85.06559	9.1
86.09714	86.7
91.05468	25.6
93.07044	54.9
93.52592	3.9
95.08609	90.5
97.10168	11.8
99.08102	5.9
100.45249	4.1
100.79411	4.0
105.07057	48.7
107.08598	68.5
109.10152	65.8
112.07693	4.6
113.09673	12.5
114.20338	4.2
117.07038	7.9
119.08597	57.5
121.10164	65.2
123.11711	31.0
129.07004	5.4
131.08553	16.3
131.49982	4.3
133.10133	51.1
135.08015	4.7
135.11671	39.8
137.13304	10.2
139.11238	7.1
143.08589	13.0
145.10121	31.3
147.11700	48.1
149.13300	28.1
157.10190	8.1
159.11725	29.1
161.09660	6.1
161.13254	35.6
163.14833	20.7
171.11661	10.8
173.13266	25.3
175.11200	15.4
175.14885	22.8
177.16380	11.7
181.10086	4.8
183.11877	4.0
185.13237	12.3
187.14886	21.1
189.16423	25.8
191.18045	6.5
191.83780	4.3
199.14751	5.4
201.16388	20.5
203.17946	17.2
207.17496	11.0
211.14961	5.0
213.16417	8.7
215.17915	21.3
217.19493	8.9
229.19543	11.3
241.19553	5.3
243.21095	8.7
257.22620	10.3
271.24161	15.7
323.27063	5.8
324.32697	9.0
327.26706	4.8
339.30392	7.4
341.28409	5.1
350.92786	5.7
379.33725	18.2
397.30704	47.0
397.34729	100.0
398.35587	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	398.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86967	3.9
55.01862	6.5
57.03440	27.0
59.05007	4.9
61.02931	8.0
69.03088	5.8
69.03436	84.1
69.07056	16.3
69.76730	22.8
70.06599	5.1
71.04997	5.1
72.08166	11.7
73.02921	11.7
79.05510	5.9
81.03429	8.8
81.07062	14.1
85.02911	100.0
85.06544	5.3
87.04472	54.7
91.05506	6.6
93.07043	12.4
95.01265	4.7
95.08620	6.3
97.02898	72.0
97.06530	6.3
103.21499	5.7
105.07027	7.0
107.08562	8.2
109.02872	8.3
111.08092	13.5
115.03943	76.2
119.04932	7.4
127.03935	19.1
131.04912	4.3
133.04982	91.4
135.08000	6.6
136.07634	5.9
137.05978	9.5
145.04950	30.0
147.04419	15.0
150.07671	13.8
153.09103	5.1
163.06038	12.0
165.09174	5.1
183.10074	4.6
201.11093	4.1
213.11246	5.2
218.16432	6.4
236.09198	10.7
236.12946	8.4
259.08118	7.0
277.09378	5.1
384.42517	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	397.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	8.2
55.05513	18.3
57.03430	13.4
57.07064	6.4
61.02894	7.5
65.14153	6.3
67.05513	37.7
69.03435	33.9
69.07062	24.3
70.06610	12.2
71.04997	12.5
71.51643	9.6
79.05505	37.1
81.03419	26.7
81.07069	58.5
83.04974	30.1
83.08606	10.9
85.02917	45.2
85.06544	22.0
91.05499	52.0
93.07046	57.5
95.04985	25.2
95.08625	46.8
97.02913	23.1
97.06532	14.7
99.08099	9.7
105.07046	79.9
107.04965	11.1
107.08608	66.1
109.06517	24.0
109.10143	50.6
111.08112	8.4
115.05461	10.6
117.07021	44.7
118.07308	7.2
119.08580	71.9
121.06466	11.0
121.10152	29.0
123.08097	15.0
123.11716	24.8
127.03954	15.6
128.06229	9.6
129.07014	16.0
130.07791	9.9
131.08582	69.5
133.06458	7.1
133.10162	43.9
135.08052	9.7
135.11699	20.9
137.06006	66.2
137.09628	12.3
142.07790	16.2
143.08577	30.3
145.06470	8.7
145.10135	83.4
147.08060	12.5
147.11710	38.9
149.09628	14.1
151.07632	9.6
156.09361	7.5
157.10123	53.8
159.08118	10.8
159.11714	100.0
161.06070	15.5
161.09595	14.3
161.13268	20.3
163.11214	16.9
171.08028	10.5
171.11761	10.5
173.13289	21.5
175.07622	7.7
175.11182	13.2
175.14920	17.1
182.07368	8.6
185.09689	15.1
197.09566	7.3
198.06763	8.7
199.14835	48.3
201.16400	67.3
203.10829	7.9
213.09096	22.1
215.10732	7.1
217.09792	9.7
217.15840	59.4
219.17467	67.1
225.08974	8.2
235.14964	7.0
235.16975	38.1
235.19069	8.0
243.10223	8.6
255.10181	13.6
273.11288	45.3
307.09851	7.8
351.12173	9.9
354.14429	16.3
379.15045	17.1
397.16800	55.5
417.60034	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	397.2953
Annotation	Unknow
Peak:m/z	Relative Intensity
54.64706	4.8
55.05508	7.6
57.07080	7.9
67.05515	24.9
69.07073	100.0
71.04992	7.1
71.51517	10.4
74.75946	4.6
79.05472	14.9
81.07059	39.8
91.05475	20.0
93.07027	18.6
93.39143	5.1
95.08610	34.4
95.51042	4.7
101.09660	69.1
104.38870	5.7
105.07027	19.2
107.08578	17.5
109.06522	6.7
109.10159	16.4
114.09119	5.5
117.07044	5.2
119.08597	18.4
121.10134	15.0
133.10104	5.8
135.08113	6.1
135.11674	10.7
137.13245	7.4
147.11684	18.2
149.13234	6.5
161.13133	5.5
165.12839	13.5
183.13814	17.2
197.15355	14.1
244.70580	5.2
329.24954	10.2
334.27518	6.8
347.25992	34.7
379.28232	10.5
397.38666	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	396.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.2
55.01871	8.1
57.03425	4.6
57.07087	1.7
61.02942	6.7
68.99803	2.9
69.03436	39.1
70.74809	2.9
71.04982	5.5
71.08639	1.9
73.02926	6.2
76.65458	1.3
77.69036	1.3
79.05470	1.6
81.03424	20.2
81.07059	2.1
82.48093	1.4
85.02916	100.0
87.00842	42.4
91.03967	1.4
95.08632	2.1
97.02904	26.0
99.04470	15.1
105.01878	61.7
105.07068	1.5
108.04456	2.1
109.02889	27.7
111.38159	1.5
115.03986	1.8
117.01854	2.4
127.03932	65.5
129.01865	2.2
131.04962	1.5
135.55698	1.6
145.04974	29.9
146.62822	1.4
147.02888	2.2
148.87709	1.3
159.02879	13.2
166.84944	1.4
189.03929	1.7
213.03931	2.2
231.04999	19.6
239.54286	1.2
243.80730	1.3
249.06100	3.9
396.21259	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.8
55.01865	1.0
56.96574	4.4
57.03447	2.5
59.05006	0.6
60.04513	1.5
61.02929	1.4
65.03925	0.7
65.32562	0.5
65.78036	0.5
67.05482	0.6
69.03447	5.5
69.07061	0.9
69.28989	3.5
70.06602	17.7
71.01349	2.2
71.04995	1.1
72.08167	11.1
73.02920	2.3
79.05512	0.7
81.03431	1.7
81.07056	0.8
83.04995	0.6
84.04498	0.6
84.08157	4.2
84.96038	2.2
85.02435	0.8
85.02917	9.6
85.06541	0.8
86.09718	1.2
87.04471	1.6
89.10802	2.9
90.94727	0.5
91.05008	0.4
91.05501	6.2
95.00825	0.6
97.02902	5.8
98.06097	0.7
98.97594	9.4
99.04448	1.5
103.05497	0.5
107.04950	0.9
109.02896	1.2
110.97611	2.8
112.04020	0.5
112.99192	0.8
115.03918	0.7
115.08681	0.5
116.07112	1.0
116.98638	4.0
119.04958	19.2
121.06545	0.5
123.04498	0.6
124.99144	0.7
127.03912	2.5
128.98634	3.1
129.01852	1.0
131.00179	1.4
131.08609	0.9
134.99675	1.1
136.07602	0.9
137.06013	1.9
138.05516	1.5
139.04021	0.6
140.02299	0.8
140.07097	0.8
143.00125	1.3
144.00246	0.7
145.04994	1.8
147.04430	100.0
148.04764	1.4
149.01274	0.7
149.02448	0.5
155.04665	0.8
156.03789	0.7
157.09805	1.8
158.99622	2.6
161.01167	0.8
165.04866	1.1
165.10266	1.0
167.07063	0.8
170.99670	1.3
173.01157	0.6
177.00728	2.2
185.06528	1.2
185.09273	1.1
186.04985	1.4
189.00809	0.9
191.03818	0.7
194.55774	0.5
201.00652	1.2
203.07610	1.7
211.07240	0.6
212.06271	3.7
212.08095	1.9
212.56439	0.6
213.12456	3.5
218.06271	0.7
218.11729	3.5
219.01740	3.2
221.08774	0.8
227.06807	1.0
234.12547	0.5
235.14536	7.3
237.02777	3.3
265.56686	0.8
268.07526	2.7
279.07303	0.6
282.14505	0.6
306.00732	0.5
311.12497	1.0
345.01285	0.6
348.59808	2.1
349.60464	0.6
352.13327	1.5
379.11191	0.8
380.17004	1.4
397.05276	1.5
397.11447	2.3
397.15518	3.6
397.19836	25.3
398.14972	0.8
398.20367	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.3675
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39000	2.3
52.15672	2.1
55.05511	18.9
57.07070	22.1
67.05507	30.8
69.07072	32.6
70.92001	5.6
71.08624	16.2
79.05501	19.0
81.07056	71.4
83.08632	14.3
85.10183	10.2
91.05485	25.6
91.13877	2.3
93.07040	24.0
95.08613	48.8
97.10191	12.9
105.07034	39.7
107.08600	22.4
109.10154	28.6
111.11707	6.8
117.07022	19.6
119.08569	15.2
120.58033	2.3
121.10130	14.8
123.11694	15.7
123.42018	2.4
125.13273	3.0
129.07043	5.0
130.07846	2.4
131.08559	22.2
133.10141	30.0
135.11694	10.1
135.89813	2.2
137.13263	6.2
142.07788	4.4
143.08566	10.0
145.10126	61.7
147.11714	28.1
149.13292	8.3
151.14812	3.3
157.10129	13.2
159.11699	36.8
161.13269	7.9
171.11801	4.8
173.13263	13.7
175.14790	2.3
177.16435	3.3
185.13278	4.6
187.14861	6.7
199.14891	8.4
201.16429	2.9
203.18117	4.9
213.16437	7.3
227.17953	3.7
241.19548	6.4
255.21080	3.1
275.27252	2.3
395.29056	4.0
395.36865	100.0
396.37332	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	395.3674
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.5
53.40956	1.4
54.08702	1.5
55.05510	12.7
57.07083	18.6
65.03952	1.4
67.05511	26.0
69.06738	2.0
69.07072	24.6
69.21590	4.9
69.22018	9.8
71.08292	1.6
71.08639	14.0
79.05499	14.3
80.55725	1.5
81.07065	59.7
83.08627	14.7
85.10205	10.9
88.90881	1.7
91.05489	22.9
93.07053	21.5
95.08614	40.6
97.10195	9.2
105.07042	33.9
107.08614	22.0
109.10171	20.7
111.11721	6.7
113.02132	1.5
115.05485	2.8
117.07021	18.5
117.07773	2.3
119.08573	17.2
121.10144	10.4
123.11727	11.2
125.13309	1.8
128.06195	1.8
129.06996	5.6
130.07858	2.4
131.08568	20.0
133.10149	32.3
135.11691	4.8
137.13277	4.7
143.08562	7.4
144.09286	2.2
145.10139	57.3
147.11708	28.9
149.13289	5.0
151.07538	3.5
151.14856	3.0
157.10167	11.5
159.11696	36.4
161.13235	9.8
163.14883	3.2
171.11768	4.3
173.13289	10.0
175.14839	3.3
185.13269	5.7
187.14876	4.7
189.16380	2.8
199.14859	4.8
201.16425	4.4
213.16360	5.1
215.17909	1.5
227.17902	2.5
241.19513	5.7
247.24324	3.4
255.21104	5.0
287.27164	1.6
289.29013	2.5
301.28925	2.2
359.65054	2.0
377.23935	1.6
395.36765	100.0
396.37103	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.3677
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.3
55.05518	12.9
57.07081	20.6
65.03941	3.1
65.04397	1.0
67.05179	1.8
67.05511	24.9
69.06731	1.8
69.07076	27.5
69.36615	6.6
69.37025	2.9
71.08637	16.7
73.71973	1.0
78.14814	1.1
79.05503	13.1
81.07066	60.6
83.08623	12.9
85.10196	11.7
89.06028	1.0
91.05490	28.3
91.14698	1.0
93.07053	23.2
95.04951	1.3
95.08617	46.7
97.10178	12.1
103.05488	1.1
105.07040	39.2
107.08612	22.2
109.10172	21.8
111.11730	11.0
115.05403	2.0
117.07023	21.7
119.08596	17.3
119.09383	2.0
119.70486	1.1
121.10158	11.4
123.11716	10.7
125.13309	2.0
128.06259	2.3
129.07011	4.7
130.07784	3.4
131.08582	23.8
133.10141	33.0
135.11743	8.3
137.13255	4.3
139.14803	1.3
142.07759	2.0
143.08568	8.7
144.09340	2.1
145.10139	60.9
147.11703	28.6
149.13303	6.2
151.14873	2.6
157.10127	11.8
159.11713	45.9
161.13312	12.1
163.14893	2.8
165.16405	1.9
171.11739	5.3
173.13281	15.7
175.14871	3.6
177.16447	1.7
179.18015	1.2
185.13272	7.2
187.14806	5.4
189.16449	2.3
191.17952	1.2
195.56119	1.2
199.14822	8.9
201.16417	5.2
207.21243	1.5
213.16412	9.4
215.18036	1.9
227.17976	4.7
241.19594	6.6
247.24300	4.5
255.21182	4.8
261.25903	1.8
270.50626	1.1
275.27362	2.3
287.27377	2.8
297.25842	1.4
299.27310	1.2
301.28876	1.7
311.27524	1.6
329.32153	1.5
348.74060	1.2
395.36780	100.0
396.37088	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.2065
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	12.4
55.01876	10.8
55.05514	17.3
57.03436	13.0
59.04992	6.7
61.02927	10.1
67.05507	22.1
69.03433	62.4
69.07063	17.2
71.01362	8.9
71.04978	15.5
71.51798	8.7
73.02922	6.5
77.40732	4.8
79.05492	32.7
81.03384	24.8
81.07050	56.8
81.19754	5.3
81.32741	5.5
83.04996	39.3
84.09138	6.1
85.02919	51.0
91.05486	41.5
93.07051	38.5
95.01367	8.4
95.04957	56.0
95.08615	29.4
97.02903	23.6
97.06551	12.6
97.10180	10.8
99.04461	10.2
105.07051	49.7
107.04961	21.4
107.08595	44.6
109.02887	11.2
109.06519	35.3
109.10164	29.5
111.04433	8.5
111.08075	10.2
115.03943	7.0
115.05473	8.4
117.07024	14.2
119.04961	4.9
119.08601	39.9
121.06520	20.5
121.10164	36.1
123.04475	7.0
123.08098	24.7
123.11702	11.8
125.09630	37.0
127.03927	15.1
128.06296	6.6
129.07022	11.1
131.08569	30.5
131.86505	5.1
133.06480	13.8
133.10146	36.2
135.08090	17.3
135.11684	8.1
137.06024	8.7
137.09631	21.1
141.07065	4.7
142.07794	8.2
143.08539	21.8
144.09300	6.3
145.04904	7.5
145.10112	59.7
147.08049	34.4
147.11688	21.3
149.05998	10.6
149.09579	25.4
151.07547	15.9
151.11163	8.0
153.09125	7.4
155.08551	6.5
155.17456	5.1
157.10158	30.4
157.51424	5.5
159.08087	17.0
159.11722	23.3
161.09624	25.9
161.13298	5.3
163.07622	7.4
163.11205	10.6
169.10187	7.7
171.08078	7.3
171.11635	9.7
173.09665	15.5
173.13339	12.4
175.07564	20.6
175.11237	25.1
177.09099	7.4
185.13298	6.5
187.11148	7.0
187.14835	31.5
189.09174	13.1
197.13252	9.9
199.11258	5.7
203.14368	7.4
205.15947	7.2
207.10320	6.2
215.14310	38.5
217.15808	6.8
221.11493	6.1
232.07057	15.9
233.07869	9.1
233.15343	48.2
257.15408	7.4
329.17484	9.5
359.18674	9.5
362.98987	6.6
377.19595	26.0
395.13144	100.0
395.20673	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	395.0593
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77072	1.3
57.63915	1.0
61.97744	1.0
69.93642	2.0
69.94028	2.4
71.69274	0.9
85.02890	1.1
90.27079	1.1
92.56197	0.9
95.41453	0.9
98.97591	1.7
111.20496	0.9
314.16040	1.2
345.02560	2.0
377.04904	3.2
395.05911	100.0
396.06363	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.0592
Annotation	Unknow
Peak:m/z	Relative Intensity
54.63311	1.0
56.96544	1.0
62.06568	0.8
69.03431	1.1
69.67230	5.8
70.06590	1.6
71.01352	1.2
72.08137	1.2
85.02915	1.4
93.65657	0.8
98.97566	4.1
126.07881	0.9
143.00201	0.9
189.96193	0.9
219.01872	2.3
237.02750	2.2
321.10287	1.0
347.76718	0.9
359.03662	1.4
363.03192	3.2
377.15390	1.3
384.31836	1.0
395.05887	100.0
396.06216	1.8
407.13550	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.2067
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	14.8
55.01866	14.8
55.05507	43.4
57.03434	21.5
59.04959	7.1
61.02937	11.7
65.03938	9.6
67.05503	34.8
69.03432	82.3
69.07063	24.4
70.06570	10.4
71.01341	8.4
71.04993	20.1
71.50875	7.9
73.02909	12.8
79.05499	56.0
81.03403	38.5
81.07064	90.8
83.04982	62.5
84.08122	8.9
85.02902	70.4
85.06525	9.6
87.04508	7.5
91.05472	54.0
93.07066	48.0
94.77019	8.1
95.01339	15.5
95.04980	82.1
95.08607	43.4
97.02887	43.9
97.06524	13.7
97.10180	15.6
99.04459	19.1
103.03960	6.8
105.07044	88.3
107.04950	37.9
107.08588	75.6
109.02875	18.1
109.06524	54.5
109.10165	49.6
111.04429	13.0
111.08112	8.4
117.07014	30.2
119.04918	11.0
119.08595	64.2
121.06509	30.5
121.10161	41.9
123.04372	7.4
123.08093	37.6
123.11729	13.1
125.09641	58.2
127.03895	22.8
128.06248	20.0
129.07011	12.3
130.07808	11.1
131.08583	55.8
133.06503	21.2
133.10156	48.7
135.08076	28.8
135.11693	13.4
137.06003	11.7
137.09618	40.8
142.07767	16.1
143.08603	32.7
145.06461	15.1
145.10127	100.0
147.08078	36.9
147.11729	38.5
149.09634	46.8
150.09146	6.7
150.10384	7.0
151.03900	11.1
151.07562	18.8
151.11156	7.4
153.09117	18.3
155.08519	15.4
157.10107	38.2
159.08086	28.0
159.11716	51.2
161.09598	40.9
161.13268	12.1
163.07565	15.2
163.11177	19.2
167.07208	7.6
167.08527	8.7
167.10783	7.6
169.10191	14.5
171.08060	10.0
171.11671	16.4
173.04510	9.9
173.06018	7.1
173.09601	27.6
173.13304	18.7
175.07582	26.1
175.11102	36.6
177.09111	16.3
177.12741	14.2
179.10715	12.9
180.06490	6.4
183.11659	6.6
185.13295	8.6
187.11165	8.8
187.14813	43.0
189.09128	24.0
189.12820	11.9
197.09573	9.0
197.13324	19.0
203.14270	10.0
205.08656	8.2
205.15903	11.9
207.10106	12.2
215.14290	48.2
223.09612	8.3
232.07011	11.7
233.07832	14.0
233.15388	67.8
257.15271	9.2
287.16470	6.7
317.17307	7.5
329.17328	13.0
341.17517	7.2
359.18524	17.1
377.19705	30.1
389.68320	7.9
395.13321	77.5
395.20944	60.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	7.2
55.01867	9.1
55.05507	7.6
57.03431	7.0
57.07063	2.3
61.02921	6.9
67.05496	7.9
68.99786	4.1
69.03434	47.7
69.07072	74.0
70.06601	3.2
71.04990	9.2
71.51303	3.0
73.02918	9.3
79.05504	3.2
81.03416	32.0
81.07074	12.3
81.07458	2.7
83.04942	4.0
83.08632	5.0
85.02911	100.0
85.06539	8.6
87.00838	36.2
91.03951	3.4
91.05482	7.2
93.07051	10.7
95.04991	3.9
95.08609	13.8
97.02902	29.1
99.04485	13.5
99.08168	2.6
105.01878	38.2
105.07063	8.5
107.08587	6.3
109.02885	27.7
109.06538	3.0
109.10167	7.8
111.08089	18.0
111.11721	15.9
115.03932	4.2
119.08604	8.4
121.06532	3.0
121.10093	5.3
122.99966	2.4
123.08093	2.5
123.11739	4.6
127.03921	53.7
127.11184	7.3
129.01875	5.3
129.12776	11.8
131.08568	4.3
133.10161	8.8
133.43788	2.5
135.08130	2.9
135.11734	5.7
137.06044	2.4
137.09647	4.9
137.13292	2.7
139.07579	5.8
139.11160	2.8
141.12743	11.6
145.04930	21.4
147.02905	2.5
147.11716	3.2
151.11166	2.2
157.10095	3.9
159.02892	15.9
159.11694	3.1
161.09691	5.5
161.13280	10.1
173.13283	2.6
177.12862	3.8
179.10634	5.9
179.14319	8.1
181.12105	2.7
189.04018	3.6
195.13905	4.0
197.15555	3.5
201.03885	3.3
213.04124	3.3
219.13831	7.7
231.05051	10.9
237.14848	8.7
297.16956	2.5
323.15073	23.8
341.16031	4.9
394.19226	3.8
394.31503	5.0
395.20734	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	393.2849
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03969	1.5
55.01866	1.7
55.05500	6.7
59.23684	1.5
63.57034	1.4
64.95071	1.5
67.05508	4.1
69.03445	2.6
69.07071	8.2
71.40490	2.3
71.62646	1.3
78.80865	1.3
79.05466	2.4
81.07060	11.5
83.04958	1.7
85.02928	2.0
85.06551	5.1
91.05477	2.1
93.07041	5.9
95.04990	2.2
95.08621	7.7
97.06525	2.2
97.10174	13.2
99.08131	1.9
99.65048	1.4
101.05999	2.9
105.03394	6.4
105.07038	6.1
107.08585	6.4
108.74976	1.4
109.10121	7.2
111.08089	6.7
111.11681	1.6
116.01669	2.5
119.08544	2.9
121.06508	1.5
121.10165	4.5
123.11692	3.5
123.27245	1.4
125.09623	2.7
131.04955	1.6
131.08601	1.6
133.10164	3.6
135.08134	1.9
135.11722	3.3
137.13365	1.7
139.11172	2.6
141.01822	1.5
143.10713	4.4
145.10222	2.3
147.11673	2.4
149.09613	1.9
151.11140	1.5
157.12286	2.5
159.11795	1.7
161.13217	2.2
162.02232	4.0
165.12686	2.2
183.13875	2.3
303.23260	3.7
321.24261	6.4
339.25317	1.6
386.97037	1.4
392.27145	1.6
393.18848	100.0
394.19238	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.152
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81764	0.5
53.03936	0.7
61.42924	0.6
61.54739	0.5
67.05474	0.6
68.05007	1.7
69.53719	3.6
71.04952	0.6
74.50462	0.6
74.92638	0.5
77.56819	0.5
79.05486	0.6
81.07078	0.5
84.08123	0.7
85.02901	0.5
91.05437	0.7
95.04928	0.7
105.03397	2.9
105.07008	0.7
120.08061	0.7
124.05046	1.0
130.04996	0.7
137.05934	1.5
140.03448	0.7
147.69081	0.6
149.04628	1.1
151.03964	0.9
172.06021	0.6
201.06476	2.1
202.07208	2.5
203.08025	1.5
204.08852	6.7
214.07498	0.6
215.08069	2.0
216.08823	100.0
217.09450	4.0
218.10376	5.2
225.06436	10.2
226.07246	3.5
227.08038	1.2
228.08783	1.1
230.10382	10.8
231.13741	0.8
240.08818	52.9
241.09393	2.6
246.09918	7.1
257.05209	0.5
258.09888	2.1
268.08319	5.7
272.11517	3.9
283.09360	1.8
300.10931	57.7
301.11209	1.4
311.08859	0.9
315.11981	0.7
333.13040	2.8
341.15244	0.5
343.11346	2.7
361.12650	6.0
364.96533	0.6
375.14066	4.0
393.15222	22.0
394.72214	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2404
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	5.0
57.03436	4.5
57.06835	2.9
57.07083	36.1
67.05511	15.3
69.07072	12.9
71.08640	24.7
79.05479	6.4
81.07062	28.6
83.08620	16.5
84.82689	1.7
85.10188	12.6
91.05486	4.2
93.07070	10.0
95.04971	4.4
95.08610	37.6
97.10178	6.0
98.98476	69.7
105.07050	9.4
107.08601	7.2
109.10168	18.9
111.11640	2.2
117.06995	3.7
119.08559	7.5
121.10139	6.6
123.08057	2.1
123.11701	8.2
131.08577	3.2
133.10158	5.0
137.13261	4.2
143.08557	4.9
145.10141	7.2
147.11699	3.1
151.14836	2.8
155.01056	100.0
157.10156	6.2
159.11705	7.9
161.13290	2.4
169.10161	2.2
171.11649	2.1
173.13196	4.6
175.14809	2.8
183.11659	1.9
187.14844	1.8
189.16188	2.1
213.16653	2.1
239.23691	8.2
255.20915	2.0
261.54706	2.0
295.34641	2.1
358.93124	1.8
376.26068	2.2
393.35181	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	393.2794
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60589	2.5
53.03950	8.6
55.01876	3.5
55.05516	17.2
57.07069	13.6
67.05516	30.1
67.59637	3.5
69.07072	16.9
70.56797	6.6
71.08624	3.6
79.05502	41.2
81.07072	56.8
83.05000	4.1
83.08636	8.0
85.06544	6.8
91.05488	59.3
93.07057	78.0
95.04980	53.8
95.08618	56.2
97.06544	10.4
98.98463	8.7
103.05473	3.3
105.04536	3.4
105.07046	99.0
107.08611	45.6
109.06551	13.4
109.10176	27.5
111.08092	3.5
113.00050	4.3
115.05451	3.6
116.06197	2.9
117.07035	26.8
119.08594	100.0
121.06493	19.6
121.10177	34.6
123.08054	6.8
123.11691	9.7
128.06235	9.7
129.07010	13.8
130.07819	7.9
131.08572	47.4
133.10155	52.0
135.08128	7.3
135.11693	16.5
137.09688	4.2
141.07063	7.6
142.07809	23.8
142.25685	3.9
143.08562	34.2
144.09303	8.5
145.06514	3.4
145.10139	58.8
147.08075	6.9
147.11708	21.8
149.09641	3.9
149.13356	6.1
155.01080	13.2
155.08594	11.4
156.09349	11.1
157.10136	57.6
157.11339	5.7
158.10858	6.0
159.08078	3.6
159.11731	44.5
161.09615	15.8
161.13286	8.7
163.11192	4.0
166.07724	3.0
167.08574	5.3
168.09286	5.7
169.02663	3.6
169.10150	26.8
170.10915	7.2
171.11671	22.1
173.09651	5.2
173.13269	22.2
175.11215	10.3
175.14830	16.4
179.08559	7.1
180.09393	4.3
181.10161	9.7
182.10902	4.5
183.11678	21.1
185.09581	3.6
185.13237	11.2
187.11249	4.6
187.14830	9.5
193.10085	6.5
194.10986	5.5
195.11765	8.4
197.13281	17.4
199.14828	9.5
201.12697	3.5
201.16374	8.9
207.11728	4.7
209.13322	14.7
211.14847	10.3
213.16467	3.6
219.11742	2.8
221.13258	6.2
223.14809	6.8
225.16406	5.1
235.14862	6.3
236.47986	3.0
239.14479	3.4
253.16064	3.7
253.19551	5.1
255.17445	3.6
259.20648	3.5
277.60919	3.5
284.64545	3.6
375.26883	6.5
393.27859	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	393.1008
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96567	6.1
57.03439	1.7
59.05005	1.9
61.02911	1.2
65.48402	1.1
67.40681	1.4
69.03435	6.7
69.38409	3.7
69.38824	6.8
71.01353	1.8
71.04961	1.6
73.02915	3.1
74.40451	1.1
76.66222	1.2
84.96020	2.1
85.02909	10.2
87.04441	1.3
87.76141	1.2
91.05492	4.4
97.02921	6.6
98.97597	30.3
98.98212	2.5
99.04487	1.7
101.00890	3.5
107.86913	1.2
110.97578	8.3
112.99154	1.5
113.00856	1.9
115.02476	1.9
116.98645	6.4
119.01973	3.1
119.04955	3.9
127.03957	2.3
128.98633	3.4
129.01811	2.2
131.00188	1.5
131.01965	2.0
131.05600	2.2
137.06007	8.0
138.97185	1.2
140.98627	1.3
143.00226	2.3
143.01920	11.8
145.04991	3.1
147.04381	10.0
151.00081	4.1
153.01666	3.8
155.01945	2.9
155.03072	2.2
156.98026	1.5
157.03583	1.4
158.99699	9.2
161.02975	7.0
170.99702	1.3
173.03004	1.8
173.06630	3.4
177.00772	3.5
179.07057	2.4
181.01117	3.8
185.04245	15.8
185.06636	3.8
189.04364	1.4
191.07542	1.3
195.03400	1.3
199.04436	1.7
203.07654	1.9
208.04936	7.8
208.55051	2.1
217.05516	5.0
217.55681	1.2
219.01842	5.7
221.05161	1.8
233.06708	1.5
235.02850	2.0
237.02834	2.9
263.04956	4.8
264.05759	1.7
269.05011	3.3
272.05356	1.3
273.06055	1.5
275.09848	5.2
278.05432	2.2
279.04037	1.5
291.07513	2.3
293.10770	10.3
294.06735	1.7
301.05481	1.5
309.08548	3.3
311.03802	13.3
315.07025	2.2
329.05042	2.1
343.06403	41.5
344.06711	1.5
361.07440	39.9
375.09003	6.3
393.10110	100.0
394.10553	2.1
415.09088	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	393.1008
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96567	6.1
57.03439	1.7
59.05005	1.9
61.02911	1.2
65.48402	1.1
67.40681	1.4
69.03435	6.7
69.38409	3.7
69.38824	6.8
71.01353	1.8
71.04961	1.6
73.02915	3.1
74.40451	1.1
76.66222	1.2
84.96020	2.1
85.02909	10.2
87.04441	1.3
87.76141	1.2
91.05492	4.4
97.02921	6.6
98.97597	30.3
98.98212	2.5
99.04487	1.7
101.00890	3.5
107.86913	1.2
110.97578	8.3
112.99154	1.5
113.00856	1.9
115.02476	1.9
116.98645	6.4
119.01973	3.1
119.04955	3.9
127.03957	2.3
128.98633	3.4
129.01811	2.2
131.00188	1.5
131.01965	2.0
131.05600	2.2
137.06007	8.0
138.97185	1.2
140.98627	1.3
143.00226	2.3
143.01920	11.8
145.04991	3.1
147.04381	10.0
151.00081	4.1
153.01666	3.8
155.01945	2.9
155.03072	2.2
156.98026	1.5
157.03583	1.4
158.99699	9.2
161.02975	7.0
170.99702	1.3
173.03004	1.8
173.06630	3.4
177.00772	3.5
179.07057	2.4
181.01117	3.8
185.04245	15.8
185.06636	3.8
189.04364	1.4
191.07542	1.3
195.03400	1.3
199.04436	1.7
203.07654	1.9
208.04936	7.8
208.55051	2.1
217.05516	5.0
217.55681	1.2
219.01842	5.7
221.05161	1.8
233.06708	1.5
235.02850	2.0
237.02834	2.9
263.04956	4.8
264.05759	1.7
269.05011	3.3
272.05356	1.3
273.06055	1.5
275.09848	5.2
278.05432	2.2
279.04037	1.5
291.07513	2.3
293.10770	10.3
294.06735	1.7
301.05481	1.5
309.08548	3.3
311.03802	13.3
315.07025	2.2
329.05042	2.1
343.06403	41.5
344.06711	1.5
361.07440	39.9
375.09003	6.3
393.10110	100.0
394.10553	2.1
415.09088	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	392.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00079	0.9
55.01877	1.0
57.03420	1.2
61.14815	0.8
67.05486	1.0
69.03426	4.1
70.06605	1.2
71.04989	0.9
71.51788	1.5
72.08155	0.8
76.45304	0.9
78.04693	1.2
79.05506	4.2
81.03410	2.7
81.07026	1.4
84.08147	1.0
85.02908	12.2
91.05485	2.4
93.07023	1.4
95.04945	1.3
97.02875	3.1
99.00021	0.9
99.04463	1.0
103.05468	4.1
105.07027	3.4
107.04960	39.0
109.02899	2.0
115.05482	2.0
117.07026	1.9
120.05710	0.9
120.08110	2.0
121.06440	1.2
123.04440	2.4
126.01083	13.5
127.03918	2.1
131.04959	2.0
135.08067	10.9
137.05975	1.5
141.79990	1.0
144.02109	12.7
145.05022	1.0
149.06117	0.9
152.04723	1.0
154.06183	1.1
163.07565	36.6
167.07053	90.7
168.07466	1.2
180.07828	2.2
181.08629	2.5
195.10188	35.7
213.11234	100.0
214.11630	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	392.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58565	1.8
55.01871	1.9
70.63914	1.8
70.64223	2.4
74.61389	1.4
75.91084	1.4
79.05487	3.0
85.02905	9.8
90.96835	1.5
91.05479	2.9
95.04973	2.0
95.34911	1.4
97.02879	2.7
103.05448	5.0
105.07032	4.3
105.14883	1.7
107.04963	42.3
115.05437	3.1
127.03957	2.4
135.08072	13.6
137.05956	2.5
149.05998	1.6
163.06323	1.0
163.07562	30.4
167.07050	89.7
168.07458	1.6
175.34013	1.9
180.07814	3.2
181.08562	2.0
195.10187	33.7
213.11230	100.0
230.11778	1.9
276.67569	1.5
298.50980	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.1342
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.4
55.01867	3.5
55.05503	1.4
57.03436	1.5
60.04514	3.4
65.03945	1.4
67.05504	2.4
68.05027	1.8
68.69028	1.4
68.99785	2.9
69.03418	3.8
69.05786	1.4
69.07034	1.1
70.06593	3.0
71.50662	2.0
72.08163	1.7
79.05481	3.7
80.05025	1.9
81.03416	1.4
81.07069	3.1
84.04499	3.8
84.08145	3.5
85.02915	5.9
86.06086	10.7
86.09713	2.7
91.05473	5.0
94.06590	1.8
95.04961	4.6
95.08655	1.3
96.04449	1.2
97.02886	3.6
99.04456	7.4
102.05550	39.9
105.07073	1.6
106.06596	2.0
107.04927	3.9
108.04486	3.2
109.06528	3.6
110.05994	1.6
111.04433	7.9
119.04955	5.2
121.06509	2.9
123.04440	59.7
126.05533	2.6
127.03919	1.4
130.05016	1.4
130.98959	2.8
134.05989	2.4
135.04384	4.1
136.07617	1.9
137.05984	7.2
138.06294	1.6
138.09135	3.6
139.03923	43.8
147.04420	12.6
149.02390	2.1
149.05991	6.9
149.09616	1.6
151.03886	7.3
151.07680	1.2
153.05481	2.9
154.08655	2.7
155.03403	1.8
161.06004	4.0
162.05460	1.8
163.03882	3.3
165.01871	2.6
165.05519	15.5
166.12262	1.4
167.06989	2.4
167.10686	2.5
175.03938	1.8
176.07086	3.2
176.10770	1.3
177.03905	1.7
177.05478	31.4
179.06963	2.0
184.04268	1.8
189.05479	11.0
193.04977	11.6
194.11778	7.3
195.06508	3.4
196.66580	1.4
204.06609	13.2
207.06546	8.2
212.12907	6.7
212.14577	1.3
218.35257	1.3
219.06549	1.2
222.07629	9.9
230.04878	11.8
230.13953	11.0
231.14027	1.4
234.07727	2.0
236.02344	1.3
240.08688	100.0
241.09146	3.2
245.09705	2.4
252.08511	1.5
291.08661	2.3
303.08673	1.4
307.02048	1.6
329.10156	2.3
392.13379	6.6
392.18497	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.0644
Annotation	Trifuhalol A
Peak:m/z	Relative Intensity
50.17291	2.3
68.69802	1.9
70.02262	8.3
81.59916	2.0
85.02867	2.2
98.21399	2.9
100.19599	2.2
107.99418	2.1
135.72220	2.2
158.01041	2.3
354.94839	2.3
359.03690	2.9
388.65033	2.1
391.06390	100.0
401.93463	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2635
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	5.5
55.05503	9.8
57.07072	6.6
59.38963	2.5
65.03911	3.1
67.05512	13.4
69.03452	4.1
69.07066	11.2
69.66694	12.8
69.67104	4.0
71.08604	3.6
71.82945	3.0
73.92967	2.5
79.05494	21.8
81.07069	35.8
83.04999	4.2
83.08621	5.2
85.06528	3.3
91.05486	32.7
93.07057	37.3
95.04969	38.9
95.08615	24.5
97.06531	5.0
98.20833	3.9
103.05489	2.9
105.07047	56.9
107.08603	27.2
109.06530	9.5
109.10162	13.7
115.05487	3.3
117.07027	13.0
119.08592	46.8
121.06501	11.1
121.10149	21.2
123.08060	6.5
123.11736	6.7
128.06233	11.3
129.07025	13.1
130.07794	8.9
131.08571	19.6
133.06548	4.3
133.10141	17.4
135.08061	5.5
135.11740	2.9
141.06987	9.9
142.07814	15.7
143.08568	30.3
144.09332	5.4
145.06448	4.8
145.10139	43.8
147.08080	8.4
147.11734	10.5
149.02374	27.0
149.13274	2.9
153.07047	4.2
154.07799	3.9
155.08554	14.6
156.09363	11.5
157.10132	27.2
158.10938	4.4
159.08099	8.0
159.11687	15.5
161.09674	5.6
161.13249	4.1
163.11258	3.8
165.07022	6.4
166.07800	3.9
167.08585	8.0
168.09406	7.4
169.10088	20.7
170.10890	3.8
171.11659	17.4
173.09645	7.4
173.13298	15.9
175.11253	4.1
179.08600	12.1
180.09331	4.4
181.10152	14.4
182.10893	8.0
183.11702	19.9
185.09625	5.1
185.13271	8.1
187.11159	6.8
187.14890	4.5
189.12729	4.1
191.14375	4.7
192.09396	3.8
193.10156	14.1
194.10954	7.9
195.11732	13.2
196.12488	4.1
197.09657	5.1
197.13214	13.6
199.11224	5.1
199.14812	4.4
205.10201	5.6
206.10857	5.7
207.11720	15.8
208.12318	5.0
209.13229	15.8
211.11198	3.8
211.14854	9.6
213.12718	4.1
217.10005	5.3
218.10855	3.7
219.11786	6.0
220.12444	5.6
221.13266	12.2
222.14070	3.0
223.11276	4.4
223.14841	12.3
225.12723	3.4
225.16417	3.4
227.14188	3.5
231.11632	5.3
232.12456	5.2
233.13272	7.0
234.14047	5.8
235.14914	8.3
237.16458	6.2
239.14207	3.2
241.16066	3.4
245.13312	5.4
246.13950	4.8
247.14787	7.6
249.16406	15.6
251.14352	6.8
257.13345	5.0
259.14813	3.6
261.16403	7.6
263.18051	6.0
265.19498	4.4
267.17502	7.5
273.16376	5.9
275.17889	4.3
277.19266	5.7
279.17413	4.2
282.19794	6.7
291.17551	4.1
293.19080	5.3
295.20493	4.9
297.18695	5.2
299.17758	3.4
317.19275	4.3
335.19943	5.3
363.26993	3.1
373.25031	16.3
391.15347	3.7
391.26331	100.0
391.35913	6.7
392.26740	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	389.2688
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38191	0.3
55.05522	1.7
57.07079	7.8
65.03941	1.4
67.05521	0.3
69.07073	11.2
71.08636	7.5
71.25935	0.5
81.07049	0.6
89.06108	0.2
93.03391	0.7
95.08599	0.5
107.08569	0.3
109.10123	0.3
111.11720	1.6
113.13327	0.6
119.08563	0.3
121.02878	4.6
121.03976	1.1
149.02353	100.0
150.02676	0.5
158.20593	0.2
163.03923	0.8
167.03421	10.2
176.34325	0.2
190.04977	0.5
205.61737	0.2
259.13504	0.4
273.68216	0.3
278.96008	0.2
389.31464	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1756
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68854	3.9
51.24725	4.0
51.24970	4.1
55.01869	6.1
67.84634	4.4
69.03421	8.0
71.50567	8.0
71.50930	4.2
79.05497	8.1
79.20422	4.7
85.02895	14.3
86.09721	7.5
90.85586	4.9
91.05479	13.2
93.07075	4.5
103.05466	10.9
104.55782	4.1
105.07040	57.7
110.20938	5.1
115.05441	10.5
118.04096	4.4
119.04970	5.0
123.08089	4.4
127.03944	5.3
130.88724	5.0
133.06499	42.4
147.08023	6.1
158.47504	4.8
161.05988	97.5
170.57332	4.8
192.10330	7.5
193.08627	64.5
210.11310	6.2
211.09720	12.8
228.12497	4.8
257.69452	4.3
390.18219	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.3579
Annotation	Unknow
Peak:m/z	Relative Intensity
55.03021	0.4
57.07083	7.3
58.06589	2.0
58.52876	0.5
68.05019	0.6
69.86253	2.1
70.06596	22.7
71.08630	2.5
72.08137	2.5
84.08151	2.9
85.10162	1.0
86.09717	3.8
88.07637	6.8
89.06026	0.6
98.20787	0.9
102.09160	2.8
116.12567	0.5
132.10202	9.4
146.11780	9.9
149.02380	0.7
153.76535	0.4
240.26855	2.5
245.57410	0.5
266.28326	1.5
275.82681	0.5
279.61877	0.4
284.29474	8.8
322.83405	0.5
328.32123	38.2
329.32480	1.1
367.17709	0.6
388.71631	0.5
390.35794	100.0
391.36066	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	389.2173
Annotation	Breyniaionoside D
Peak:m/z	Relative Intensity
59.32364	15.3
67.05495	19.8
69.03429	20.6
70.54990	35.7
70.55324	14.5
71.04976	31.6
79.05449	17.4
80.60517	14.5
81.07076	34.3
84.27952	17.3
85.02904	34.0
86.09724	18.0
91.05473	13.4
93.07043	39.4
95.08614	35.7
99.04445	87.4
99.08123	25.4
107.08594	71.5
109.10145	33.6
118.67612	15.0
121.06524	19.8
121.10169	34.6
123.08109	18.8
125.09630	27.8
131.04918	23.5
131.08548	26.3
133.10136	46.9
135.08099	18.2
135.11684	16.4
139.11369	15.2
145.10139	21.3
149.09654	42.8
149.13223	28.1
151.11244	31.0
153.94946	15.9
160.05267	13.9
163.14868	18.8
167.07108	20.2
169.12347	22.1
173.13246	32.9
175.07576	23.9
177.05411	23.4
178.45445	15.7
181.04900	33.2
188.49310	15.8
189.09099	16.1
191.14343	42.5
209.08015	20.8
209.15375	100.0
216.39804	17.5
219.10205	38.7
227.16400	61.5
295.35886	18.5
339.12302	21.1
371.15106	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	389.2173
Annotation	Phlomuroside
Peak:m/z	Relative Intensity
54.30661	10.9
55.01859	10.8
55.05516	13.1
57.03441	15.7
61.78386	12.0
63.96820	12.7
67.05502	31.9
68.92115	11.9
69.03439	17.6
69.07062	22.6
71.04972	24.2
71.06196	25.6
79.05509	29.7
81.07053	41.6
83.04990	17.5
84.08127	12.3
85.02911	38.2
85.06565	23.0
91.05486	33.1
93.07050	33.1
95.04963	33.0
95.08604	34.1
97.02901	12.2
97.06542	31.7
99.04463	84.5
99.08091	14.0
103.05500	11.9
105.07027	46.2
107.08595	37.1
109.06528	52.2
109.10168	39.2
117.07027	13.8
119.08617	31.8
120.08132	14.8
121.10144	63.6
122.93991	13.4
123.08068	20.9
125.09633	18.5
127.11257	13.8
131.04886	18.3
131.08598	28.6
133.10165	73.1
135.08095	19.1
137.05927	17.0
138.09079	20.3
144.09981	11.1
147.11694	31.6
149.13344	12.9
151.11115	14.0
152.51851	11.0
153.09120	25.2
167.07069	13.9
169.12247	14.8
173.13261	29.1
181.04903	21.5
183.13841	24.9
191.14334	40.2
205.16174	12.4
209.15402	89.2
221.21716	11.7
227.16452	100.0
253.08635	14.5
256.23401	11.7
309.11301	11.3
339.12756	12.4
371.15433	18.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2173
Annotation	Debiloside B
Peak:m/z	Relative Intensity
53.03963	9.7
54.31673	5.9
55.01870	19.7
55.05503	19.5
57.03445	14.2
65.03948	10.5
67.05502	35.5
69.03435	24.8
69.07078	18.2
69.29626	60.8
71.04993	34.6
72.08149	11.3
73.02917	7.3
79.05499	29.6
81.07060	52.7
83.04985	17.6
83.08627	16.5
84.08149	13.1
85.02913	37.8
85.06548	27.8
86.09752	8.4
91.05511	33.8
93.07050	35.1
95.04966	44.2
95.08620	38.6
96.46253	6.0
96.85805	6.4
97.02881	9.4
97.06550	23.5
99.04459	71.8
99.08126	8.6
103.05474	15.9
105.03429	6.2
105.07053	42.4
107.08595	61.3
109.06522	29.0
109.10184	28.2
111.08091	12.1
114.53348	6.8
115.07565	10.2
117.07017	12.6
119.08601	20.1
120.08131	12.2
121.06499	13.5
121.10162	79.8
123.08105	17.2
123.11710	16.3
125.05978	10.3
125.09667	12.6
127.03930	14.0
129.07033	10.7
130.12341	7.0
131.04927	21.1
131.08589	24.8
133.10120	61.7
135.08046	8.4
135.11758	7.9
137.05984	23.9
139.11203	13.3
143.08580	9.2
145.10164	11.0
147.11705	29.7
147.41690	7.4
149.09599	11.5
149.13315	11.6
151.03821	7.9
151.07555	13.5
151.11163	19.1
153.09103	13.4
157.10187	8.2
160.05228	8.5
163.07541	14.3
163.11220	6.4
163.14734	9.2
167.07076	26.9
167.94322	8.2
169.12294	12.3
171.10158	10.2
173.13298	32.4
174.06686	7.1
174.62421	6.8
177.05510	12.6
181.04988	24.6
183.13858	22.2
187.14595	6.7
191.14310	49.8
209.08144	17.0
209.15388	66.5
221.19083	8.8
227.16449	100.0
233.15471	9.2
239.19969	7.9
277.08844	7.9
288.27026	6.3
292.47775	6.9
328.40555	6.7
339.12500	7.8
353.14606	6.3
371.15378	14.7
389.16248	21.1
403.18073	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	389.1784
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28487	0.4
55.05505	0.9
56.26648	0.4
57.03436	0.4
65.03941	1.1
69.03415	0.7
69.07073	0.7
69.81705	2.3
70.06581	0.5
72.08160	0.5
79.05479	0.7
81.03430	0.6
81.07059	1.0
83.04994	0.7
84.08157	0.9
85.02895	1.6
86.09698	1.1
91.05491	14.8
93.07059	0.9
93.94577	0.5
93.95135	0.4
95.04982	0.8
95.08598	0.7
97.02908	0.7
97.06553	0.6
103.05452	0.7
105.07035	0.8
105.90540	0.4
107.04929	0.6
107.08607	0.8
109.06502	0.6
109.10165	0.6
111.04469	0.5
111.08109	0.6
121.10139	0.5
127.03915	0.7
131.04912	0.6
137.05959	0.8
141.05516	0.5
145.10164	0.4
161.06006	0.5
163.07661	0.4
164.10857	0.5
167.03481	0.5
167.07039	0.7
181.04935	0.5
191.14424	1.0
203.05298	1.0
209.11526	3.4
209.15445	1.3
227.12549	3.8
228.03334	0.6
228.06891	1.4
264.93146	0.4
293.08115	0.6
294.56036	0.5
323.09186	0.9
328.70139	0.5
335.09149	0.9
353.10461	0.9
389.17862	100.0
390.17953	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.1
54.58773	3.1
55.01880	36.2
55.05521	3.5
65.03941	12.3
67.05501	9.3
69.03429	5.9
69.07070	4.7
74.39438	2.7
77.03896	2.9
79.05492	13.6
81.07072	5.3
85.02881	10.3
86.09654	3.6
91.05486	15.3
93.03415	4.7
93.07031	8.5
95.04962	12.0
95.08589	5.4
97.06549	6.0
103.05489	20.1
105.07021	6.6
107.04991	14.5
107.08572	4.9
109.06516	5.5
109.10146	3.5
110.03704	3.7
111.04435	3.9
115.05448	5.1
117.07018	11.1
119.08597	3.3
121.06507	6.8
121.10157	7.0
122.03643	7.2
123.04439	12.2
123.08097	3.6
125.06073	4.3
128.06192	5.9
129.07024	19.9
130.05028	3.2
131.04918	28.5
131.08537	16.9
136.95210	3.3
137.05988	55.9
139.03957	4.0
139.07571	3.7
141.06987	10.3
145.06514	9.6
145.10143	4.3
149.05977	12.4
151.03900	3.1
151.07574	6.9
153.05461	7.9
157.06480	20.1
158.07332	5.3
159.08073	5.8
159.11685	5.0
160.05203	3.4
161.05981	3.4
163.07579	9.9
165.06940	3.0
167.07086	27.9
169.06403	7.1
171.06552	8.9
173.05923	5.0
174.06775	19.6
175.07550	25.0
177.05460	37.7
181.04968	100.0
183.06638	17.5
186.06761	3.5
187.07590	7.1
187.14787	3.2
188.08423	4.1
189.07256	4.4
189.09113	35.1
190.07828	3.4
201.09125	17.6
205.08604	4.8
206.07381	3.7
209.08093	52.8
217.06581	7.4
217.08446	5.4
218.07259	8.3
219.08206	8.2
219.10159	87.8
221.08060	6.0
233.09711	5.9
234.06783	9.3
235.07544	9.4
235.09660	5.9
246.06946	3.6
247.07607	6.3
248.08348	4.4
249.09071	12.7
261.09100	13.2
263.07031	5.9
264.07541	3.5
265.08658	5.1
277.08621	31.0
278.09375	5.4
279.10031	5.9
289.08502	3.9
293.11700	3.3
307.09518	5.0
309.11215	9.5
311.12820	3.4
321.11130	5.0
327.12155	3.0
329.11365	4.3
339.12299	33.5
341.13760	5.5
371.14905	33.1
389.16010	40.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1592
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	38.5
55.05519	8.1
57.03459	6.0
61.06779	3.8
65.03941	15.9
67.05510	14.4
69.03427	6.3
69.07068	6.0
70.19622	18.0
71.04985	4.2
79.05501	20.0
81.07059	14.6
83.08661	5.6
83.19660	3.7
84.08145	5.5
85.02890	17.8
86.09731	7.1
91.05488	14.5
93.07055	17.0
94.04192	4.0
95.04960	16.3
95.08631	15.6
97.02927	6.7
97.06572	4.6
98.21474	4.7
98.63766	4.0
101.05971	4.6
101.83358	3.7
103.05473	22.9
105.07034	16.9
107.04964	16.9
107.08614	13.5
109.06520	7.1
110.03674	5.5
115.05463	6.4
117.07026	11.8
119.04929	4.0
119.08598	7.6
121.06506	7.9
121.10191	9.6
122.03622	7.8
123.04466	19.1
123.08065	7.1
123.11662	6.5
125.05971	6.8
128.06221	7.2
129.06993	18.1
131.04927	38.7
131.08578	21.5
133.10161	7.2
135.08018	6.2
135.73012	4.4
136.07635	6.2
137.05997	66.7
138.03082	4.6
139.03830	3.5
139.07494	5.2
141.07004	13.1
142.02618	5.5
145.06500	9.8
145.10083	7.4
147.04459	5.3
147.11690	12.3
148.12202	4.1
149.05984	14.4
151.07500	9.0
153.05533	6.0
157.06519	18.1
158.07355	5.3
159.04353	4.8
159.08067	10.3
160.05173	5.9
163.07559	14.7
167.07056	42.3
171.06544	10.6
172.05087	3.6
174.06747	28.3
175.07561	28.3
177.05527	38.9
177.09152	5.5
181.04971	100.0
181.06529	6.6
183.06523	21.4
186.06868	5.1
187.07567	11.4
187.14880	8.4
189.09131	41.1
191.08653	4.5
201.09128	15.2
205.08658	6.5
207.13753	4.5
209.08128	62.1
215.14148	4.5
217.06546	8.4
217.08652	9.9
218.07321	7.4
219.08162	7.2
219.10155	85.9
225.09105	4.2
227.16418	4.9
231.08052	4.2
231.81352	3.9
234.06766	9.2
235.07678	9.4
247.07803	4.5
247.28395	3.6
249.09108	15.8
261.09091	16.1
262.06137	4.3
262.09808	4.1
264.07697	5.0
265.08673	7.1
266.09363	4.1
277.08640	28.7
278.09406	9.5
279.10269	8.7
289.08456	5.1
292.07260	4.4
293.11871	7.4
295.09814	5.3
307.09711	6.6
309.11194	13.3
311.13107	4.4
321.11160	10.2
339.12372	41.3
353.13864	7.8
359.14835	5.0
371.14835	32.1
389.08826	4.8
389.16040	48.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1599
Annotation	4'-Demethyltraxillagenin
Peak:m/z	Relative Intensity
53.03949	4.7
55.01875	35.5
55.05509	7.9
55.30446	1.8
57.03443	4.2
60.64034	2.0
65.03949	10.2
67.05506	10.1
68.97530	2.0
69.03425	6.9
69.07073	5.8
71.04989	2.0
71.52290	3.2
79.05518	11.5
81.07058	16.8
82.04166	3.9
83.04967	4.3
85.02928	12.7
85.06545	5.6
91.05493	10.9
93.07064	10.3
94.04159	2.9
95.04979	10.4
95.08607	9.1
97.02888	3.7
97.06544	5.1
97.10155	4.3
103.05482	22.6
105.03394	6.1
105.07035	10.3
107.04961	10.3
107.08595	8.5
108.02124	3.6
109.06540	7.6
109.10163	6.8
110.03646	2.9
111.04485	2.7
111.08096	11.8
113.06081	3.0
115.05476	4.8
117.07012	6.3
119.04934	5.8
119.08597	8.3
121.06508	9.1
121.10161	8.0
122.03635	4.7
123.04442	49.6
123.11715	4.0
125.05978	4.4
127.03899	2.4
128.06238	7.0
129.07019	12.7
131.04929	30.1
131.08627	3.4
133.06480	3.1
133.10133	6.4
135.04411	4.1
135.08051	6.0
135.11726	4.0
137.05997	43.6
138.06363	3.7
139.03934	11.0
142.02579	3.3
143.08539	3.0
145.06499	4.2
145.10211	3.4
147.04420	13.7
147.08163	2.3
147.11676	5.1
148.05183	3.1
149.05995	11.7
149.13240	2.3
151.03905	12.8
151.07513	4.2
151.11212	3.6
153.05475	4.0
155.07152	2.7
157.06586	11.3
157.10144	4.1
159.04358	3.1
159.08112	2.5
159.11662	3.6
160.05183	5.4
161.05984	8.3
161.13333	2.1
163.03973	4.5
163.07623	10.5
165.01894	2.8
165.05492	8.7
165.09123	3.5
167.07066	35.3
169.10185	2.8
171.06544	3.7
173.05984	8.0
173.09572	2.3
175.07561	17.7
177.05493	46.2
177.09175	2.9
177.12709	2.8
179.07074	3.2
181.04974	100.0
181.08597	4.3
181.12315	3.3
183.06610	3.1
187.07549	4.3
189.09065	12.1
193.08632	17.8
199.07497	2.5
205.08656	2.9
207.06488	5.8
209.06122	3.2
209.08104	64.2
213.05592	2.8
217.08580	11.5
219.08269	4.2
219.10136	11.5
233.15457	3.2
235.09717	6.2
237.11079	3.0
249.09160	4.2
261.09171	3.9
262.06113	2.4
263.07034	2.8
277.08621	6.4
279.10211	2.4
281.08044	2.4
283.10864	3.2
285.07590	2.4
293.11633	4.9
295.10443	3.0
307.09830	2.7
309.11172	4.0
311.09027	2.7
315.13211	3.1
321.11368	3.2
327.12399	3.7
329.10251	2.8
339.12231	8.5
341.13989	5.2
345.13379	11.7
359.14722	4.7
371.15384	12.4
389.08582	2.9
389.16031	52.3
389.24142	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	388.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.6
55.05502	2.0
55.86412	0.6
57.03426	0.6
63.45739	0.5
67.05487	2.1
69.03421	1.2
69.07061	2.4
70.06605	0.7
71.52357	0.9
74.07661	0.6
79.05493	1.7
81.07062	3.0
82.52611	0.6
83.08617	2.5
85.02898	2.2
86.09708	3.7
91.05477	2.2
92.05781	0.7
93.07039	2.7
95.04974	1.9
95.08611	4.8
96.08137	0.7
97.02865	1.2
97.89311	0.5
99.11417	0.6
103.05452	1.1
105.03390	1.2
105.07021	1.5
107.04994	1.1
107.08620	1.6
108.08145	1.0
109.02892	0.7
109.06513	1.7
109.10164	1.8
110.06037	0.9
110.09699	5.2
119.08606	1.1
121.10149	1.1
122.03661	0.7
123.08064	1.1
123.11694	1.1
124.03983	3.3
124.04696	0.7
124.11246	0.9
131.04924	2.2
131.08498	1.1
133.49107	0.7
135.07970	0.8
137.05971	4.3
137.08350	1.5
137.13254	2.2
138.06317	1.9
138.09154	3.8
145.02910	0.6
145.10092	0.7
145.17853	0.6
146.11745	0.8
147.11671	0.7
151.07510	0.8
165.12769	1.4
167.07062	3.6
168.07333	1.2
180.17499	9.8
181.08560	0.7
191.14542	0.6
198.18584	2.0
208.14920	1.0
208.16977	28.7
226.18034	100.0
227.18304	2.9
236.97911	0.7
241.30667	0.6
263.06772	0.7
278.09143	0.7
294.08664	0.8
305.08087	0.6
306.08414	1.4
320.10010	0.9
338.11084	1.8
340.12494	1.1
352.12726	1.3
358.13678	0.8
362.48657	0.7
370.13782	0.8
388.14850	1.8
388.21228	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93052	6.4
55.05515	11.9
65.70092	6.9
67.05510	16.2
69.03438	51.8
69.07074	11.0
70.34886	13.8
70.35272	15.2
79.69177	6.3
81.07016	13.8
81.97814	6.4
83.04968	7.9
85.02921	19.8
86.09726	25.3
91.05493	10.0
93.07035	12.2
95.08585	17.5
97.06544	7.8
103.05451	11.7
105.07032	10.3
107.08603	23.9
109.06540	9.0
109.10152	14.3
117.07066	10.9
119.08607	11.8
121.10175	12.9
123.11735	12.8
125.09625	22.1
133.10156	13.5
135.08069	14.0
137.06007	16.4
138.06297	9.3
145.54732	6.5
147.11699	7.2
153.09152	6.4
167.07118	17.1
168.07431	9.9
171.99760	7.1
173.09587	7.2
173.13297	19.3
181.04893	9.3
191.14357	69.1
193.51671	6.7
208.14209	17.4
209.15382	100.0
209.17198	12.4
226.40256	7.4
264.35168	7.2
321.42368	8.3
325.17526	20.0
371.17783	19.0
388.15121	7.6
388.20789	37.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.233
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01844	6.6
57.07060	4.7
60.51932	4.3
67.05495	10.2
69.03433	7.4
69.07082	6.2
69.28432	37.1
70.06577	4.9
79.05492	9.4
81.07059	11.2
82.10902	3.9
85.02882	12.0
86.09689	14.6
91.05494	8.4
93.07038	13.7
95.04984	8.1
95.08608	13.2
97.06526	5.6
103.05466	5.2
105.07030	18.9
107.08585	10.6
109.06526	73.8
109.10155	14.9
111.08068	5.6
119.08584	6.9
121.10165	6.9
123.08060	5.5
131.04897	6.9
131.08574	17.4
133.09251	6.7
133.10143	57.3
135.08049	30.3
137.05977	18.3
138.06340	7.9
143.08496	5.7
145.10135	5.0
153.09103	4.5
167.07060	12.3
173.13254	37.4
176.03468	4.2
181.04897	6.9
191.14313	100.0
209.15390	46.5
222.03940	10.7
256.22083	4.8
357.10605	9.6
388.14819	10.1
388.26794	8.6
406.85007	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	387.2013
Annotation	(6R,9S)-Roseoside
Peak:m/z	Relative Intensity
53.03944	3.8
55.01869	4.0
55.05511	3.0
55.93605	1.2
57.03441	9.0
57.07074	4.4
59.04989	4.3
61.02931	9.6
67.05499	4.5
69.03433	32.5
69.07069	1.5
70.72474	2.3
70.72817	2.5
71.04982	3.7
72.48539	1.4
73.02910	3.8
79.05490	4.5
79.17222	1.2
81.03424	11.6
81.07059	6.4
83.04978	3.0
83.52271	1.3
85.02911	79.4
85.06548	4.1
87.04460	4.0
91.03959	5.1
91.05468	4.3
93.07050	4.2
95.04969	3.6
95.08617	8.2
97.02894	28.2
97.06534	5.4
99.04456	4.8
105.07051	7.1
107.05005	1.4
107.08633	6.1
109.02868	8.8
109.06519	4.4
109.10168	2.2
119.08582	5.2
121.06502	4.4
121.10158	5.9
122.07290	1.5
123.08073	55.7
125.06007	8.2
127.03932	19.4
133.06488	5.0
133.10152	5.1
135.08099	2.7
135.11700	3.0
137.05948	8.6
139.07558	1.6
145.04973	29.5
145.10095	5.9
147.08102	1.3
147.11719	5.4
149.09607	1.7
151.07552	100.0
153.09100	2.4
161.13237	2.8
163.06017	2.7
163.11191	53.8
169.08664	1.5
175.96262	1.4
181.04987	1.8
181.12250	31.6
189.12747	21.4
192.11392	2.0
198.92964	1.2
207.13808	78.4
209.15378	5.2
225.14870	13.8
254.47345	1.4
387.20154	51.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	3.7
55.05518	1.6
57.03449	10.4
57.80264	1.3
59.05007	30.6
59.52103	1.3
69.03442	11.5
71.01364	7.3
71.05006	14.7
71.24090	2.7
73.02905	8.2
83.01343	2.9
83.05006	2.5
85.02914	49.5
87.04472	7.4
95.01330	3.8
95.04981	1.8
97.02897	15.1
97.74725	1.4
98.97588	2.3
99.04474	17.3
101.02376	3.1
101.06008	2.4
103.03944	5.0
109.02901	2.5
111.04441	9.0
113.02402	17.2
115.03925	2.9
127.03918	8.3
129.01852	2.9
129.05498	15.8
131.03406	7.6
139.03973	3.0
141.01811	12.3
145.04976	100.0
151.03986	1.6
155.03377	2.7
157.04997	1.5
159.02884	6.5
169.04955	2.1
173.04535	5.3
177.03960	5.9
183.46681	1.7
185.04480	1.6
187.02365	4.2
191.05522	3.2
193.04851	1.5
197.04501	2.9
201.04082	3.7
225.04031	2.6
241.03360	1.7
243.05048	4.6
253.03526	1.8
271.04514	48.5
285.06088	3.0
289.05585	11.7
303.07166	10.4
317.08594	2.3
356.11768	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2015
Annotation	(6R,9S)-Roseoside
Peak:m/z	Relative Intensity
53.03949	3.3
55.01880	5.3
55.05503	5.2
57.03431	8.4
57.07069	6.5
57.12522	1.9
59.05002	3.6
61.02931	9.3
67.05500	7.9
69.03437	29.8
69.07063	2.7
69.94684	9.4
70.06595	7.3
71.04984	3.2
71.06927	1.8
73.02919	4.5
79.05492	5.8
81.03423	13.0
81.07057	10.1
83.04994	4.8
84.08143	2.1
85.02911	74.6
85.06551	3.4
87.04461	4.7
91.03964	5.9
91.05480	5.0
93.07040	7.6
95.04971	6.0
95.08638	10.9
97.02898	29.7
97.06520	5.5
98.18457	2.2
99.04461	6.4
101.02405	2.0
105.07067	10.1
107.05008	2.3
107.08580	4.5
109.02876	10.3
109.05796	1.7
109.06505	11.2
109.10153	3.9
111.08082	2.8
119.08611	8.8
121.06480	2.9
121.10175	9.3
123.08073	56.8
125.05991	11.2
127.03930	16.4
131.08575	2.1
133.06444	3.4
133.10143	10.5
135.08049	6.4
135.11679	4.1
137.05963	2.9
137.09718	2.2
145.04959	34.0
145.10130	7.2
146.74507	1.9
147.11720	5.4
149.09610	7.8
151.07547	100.0
153.09094	4.2
156.09309	3.1
159.11723	2.7
161.13239	4.8
163.11208	44.4
165.12799	3.8
181.12256	37.3
189.12775	23.9
191.14333	5.3
207.13797	72.3
209.15390	5.5
225.14870	24.6
253.74602	2.0
271.51791	2.1
387.15494	2.6
387.20175	48.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2018
Annotation	(6R)-9,10-Dihydroxy-4,7-megastigmadien-3-one-9-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
54.02043	3.9
54.09844	4.2
55.01888	4.4
57.03428	6.9
61.02929	6.1
67.05506	7.4
69.03427	18.4
69.07072	5.5
70.86658	8.3
79.05499	5.7
81.03430	5.5
81.07061	13.0
83.04977	4.5
85.02911	30.4
91.03915	4.3
91.05485	14.6
93.07050	6.1
94.70718	3.7
95.04964	6.1
95.08593	6.6
97.02876	11.1
99.04456	5.6
105.07054	20.5
107.04950	4.6
107.08581	8.8
109.06514	7.4
119.08614	20.7
121.10204	10.8
123.08060	7.7
124.57608	4.8
129.06999	4.3
133.10152	13.8
135.08037	9.1
135.11670	5.8
137.05992	28.5
137.09622	5.8
138.04764	4.2
139.61371	4.2
145.04938	8.9
145.10115	11.3
147.11691	10.3
149.09613	5.5
151.07547	12.6
161.13278	12.7
163.11186	18.5
167.06981	6.9
171.11742	9.0
181.05035	6.5
181.12299	8.3
189.12787	13.0
201.47597	5.0
207.13815	100.0
225.14827	18.7
226.05663	4.7
383.96124	4.9
387.14499	12.4
387.19943	12.9
390.62595	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	387.2015
Annotation	(6R)-9,10-Dihydroxy-4,7-megastigmadien-3-one-9-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
50.66869	2.5
53.03937	7.0
55.01864	2.4
55.05520	4.4
57.03437	3.6
57.07071	2.5
61.02917	6.9
66.43688	2.3
67.05514	3.2
69.03442	32.0
69.13062	2.4
69.66217	2.2
71.04987	5.1
71.26160	2.3
71.96034	2.0
73.02930	2.7
79.05496	6.2
81.03422	9.4
81.07063	15.3
83.04975	4.4
85.02911	100.0
86.09721	3.5
87.04478	2.8
91.05486	4.9
93.07051	6.6
95.04986	4.3
95.08615	25.0
97.02893	12.8
97.06535	4.2
98.20636	4.5
99.04455	5.5
105.03385	4.0
105.07059	16.0
107.08592	5.8
109.02843	4.8
109.06536	4.2
109.10186	13.1
119.08594	22.6
121.06490	2.7
121.10157	13.2
123.08083	14.6
123.11716	46.9
125.05086	2.6
125.05998	47.6
127.03925	10.0
127.69814	2.6
133.06464	3.1
133.10136	11.2
135.08101	4.5
135.11726	20.6
137.05989	3.0
137.09653	4.4
137.13235	5.2
139.07553	9.7
143.08557	4.4
145.04971	5.8
145.10205	6.2
147.08057	4.1
147.11702	21.6
149.09618	18.1
151.07542	20.5
151.11148	2.5
161.09593	3.0
161.11974	3.6
161.13237	27.6
163.11195	9.7
165.12779	4.2
171.11623	5.2
181.12346	5.9
185.42577	2.8
189.12767	35.9
207.13818	79.4
208.14101	2.8
225.14877	73.9
333.16776	3.6
351.18018	7.9
387.20166	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	387.2019
Annotation	Sonchuionoside A
Peak:m/z	Relative Intensity
54.52355	6.0
55.05515	9.5
57.03444	9.2
67.05508	10.1
69.03440	24.5
70.06606	68.9
71.06936	14.4
71.27728	12.1
79.05499	9.9
81.03432	7.9
81.07059	27.0
85.02927	100.0
87.54868	7.1
91.05489	13.7
93.07093	10.9
95.04978	9.0
95.08591	21.4
97.02909	18.0
99.04486	15.8
105.07058	19.3
107.04976	8.6
107.08590	10.2
109.06537	9.4
109.10197	32.2
119.08611	13.3
121.10149	13.9
123.04440	12.2
123.08076	15.8
123.11730	69.2
125.05991	22.6
127.03927	11.4
134.69350	5.9
135.04485	6.8
145.04955	8.1
145.10158	10.5
147.11687	15.0
149.09630	18.6
151.07573	29.0
161.13321	9.4
165.09216	6.9
177.05528	22.6
178.05835	18.3
189.12811	21.2
207.13844	85.9
225.14761	31.6
330.10620	9.3
333.17010	20.7
351.18146	27.2
369.19177	7.2
387.16037	43.7
387.20316	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	387.1809
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	0.6
53.03940	0.9
54.00679	0.3
54.26211	0.3
55.05513	0.5
55.15034	0.3
59.49525	0.3
65.03939	0.3
69.03433	0.7
69.03831	0.3
79.05504	4.6
81.03448	0.4
81.07060	0.4
83.05000	0.7
91.05505	0.8
93.07043	0.8
95.04974	0.8
103.05494	3.0
105.07046	100.0
106.07400	1.1
109.26678	0.4
119.04961	1.2
127.41070	0.3
130.16801	0.4
137.05986	0.6
173.72224	0.4
175.01672	0.5
203.07246	0.3
212.23369	0.4
382.26526	0.4
387.24585	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2016
Annotation	(6R)-9,10-Dihydroxy-4,7-megastigmadien-3-one-9-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
51.02403	1.7
53.03943	3.8
55.01874	3.7
55.05502	5.3
57.03441	9.5
57.07084	1.5
58.17933	1.4
60.87899	1.5
61.02926	8.1
67.05508	7.5
69.03436	24.2
69.07066	4.1
69.30189	3.5
69.30593	8.8
71.04977	3.3
73.02915	5.4
79.05486	8.2
81.03416	8.5
81.07063	11.2
83.04987	3.0
83.08621	1.6
85.02914	53.4
85.06564	2.1
87.00838	2.0
87.04472	3.2
91.03962	3.6
91.05477	11.9
93.07055	10.7
95.04987	3.5
95.08613	9.0
97.02902	19.8
97.03468	2.9
97.06534	4.0
98.21503	3.5
99.04465	4.4
99.51021	1.3
105.01848	1.8
105.07037	33.1
107.08615	9.8
108.05787	1.6
109.02882	6.7
109.06514	5.9
109.10149	5.2
111.08098	1.7
115.05551	1.7
117.07030	4.4
119.08584	25.8
121.06522	5.0
121.10123	8.2
122.03650	1.6
123.08074	33.4
125.05986	5.3
127.03903	14.9
131.08582	2.8
133.06470	2.0
133.10126	6.5
135.08081	7.6
135.11710	2.7
135.18306	1.7
137.05978	25.3
137.09621	1.9
143.08572	1.8
145.05003	12.8
145.06119	2.0
145.10149	6.6
147.08008	2.0
147.11703	44.7
149.09654	6.2
149.13245	1.5
151.03877	2.8
151.07545	37.4
151.11177	4.9
159.11647	1.9
161.13268	4.4
163.11179	21.9
165.12764	33.9
167.07018	9.9
177.12805	3.1
179.14240	2.1
181.04953	4.1
181.12248	12.4
189.12784	10.2
191.14305	2.8
192.11499	2.3
207.13823	100.0
208.14160	2.7
209.15312	3.1
225.14874	17.7
233.08110	1.9
357.13409	2.8
387.14514	9.1
387.20126	29.9
413.64236	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1803
Annotation	Tashironin
Peak:m/z	Relative Intensity
51.02373	1.9
53.03952	9.3
53.04582	1.2
55.01863	2.0
55.05503	5.5
55.05766	1.3
57.07098	1.8
67.05494	5.6
69.49536	10.4
72.08141	1.4
79.05492	3.2
81.07052	4.8
83.04986	17.8
85.05709	1.4
91.05493	12.9
93.07034	5.4
95.04974	9.7
95.08602	4.8
98.20701	1.5
105.03400	100.0
105.04531	4.5
105.07034	11.5
107.04955	3.7
107.08595	4.9
109.06586	1.7
109.10143	1.5
111.04372	1.6
117.07039	2.8
119.08582	9.1
121.06537	2.6
121.10132	1.8
123.08108	2.3
123.85479	1.4
128.06256	3.4
129.07019	2.3
131.08575	6.0
133.10150	8.9
135.08101	2.8
137.06020	2.4
137.09549	1.9
143.08582	8.9
143.86986	1.4
145.06429	2.1
145.10129	6.8
146.07249	2.8
147.08081	7.5
147.11748	1.9
149.09641	2.5
159.08018	4.0
159.11699	3.2
161.09633	39.5
163.07515	1.6
165.09123	6.5
171.08081	4.0
173.13292	3.1
177.09145	3.1
179.10747	2.5
183.11728	2.4
189.09146	12.8
201.12776	6.6
207.10214	9.5
217.12260	3.1
229.12267	4.4
247.13243	3.6
387.17834	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1444
Annotation	Magnolone
Peak:m/z	Relative Intensity
53.03940	1.0
55.01869	0.9
55.05505	1.1
57.03435	1.1
65.03941	2.0
65.82839	0.7
66.04696	0.7
67.05497	2.3
69.03433	2.6
70.80109	1.2
73.00010	0.6
78.04720	1.1
79.05470	3.4
81.03420	0.9
81.07063	2.2
81.38982	0.7
85.02917	3.6
91.05483	4.9
93.03417	1.2
93.07037	1.5
94.04226	3.2
95.04976	1.9
97.02916	0.8
97.06564	1.3
103.05480	4.0
105.03382	1.7
105.07047	3.7
106.04194	3.9
107.04965	3.9
107.08611	1.5
108.02110	0.8
109.06544	1.1
109.10149	1.4
110.03658	1.2
111.04443	1.2
111.35372	0.7
115.05438	3.3
117.07054	3.7
119.08575	1.1
121.06524	3.6
121.10201	1.3
122.01193	0.7
122.03667	8.4
123.04440	2.1
123.08081	0.7
125.06026	1.1
128.06241	0.8
131.04958	4.8
132.05763	0.8
133.06525	5.7
137.05994	100.0
143.04959	2.3
145.06503	2.9
145.10233	0.8
146.21053	0.7
147.04543	0.8
147.08052	0.9
147.11696	0.9
148.05228	1.6
149.05998	7.4
151.03943	6.0
153.05518	0.8
160.05304	1.3
161.06017	4.0
163.03955	1.0
163.07590	2.6
165.05482	1.0
165.09164	0.8
167.07065	19.2
171.04480	0.7
171.11723	0.8
173.05995	4.5
173.09613	0.7
175.07626	1.7
177.05492	8.0
179.07094	1.7
181.04973	20.2
181.06554	1.3
181.08495	1.0
187.07596	0.9
189.05417	0.7
191.07024	5.6
192.07800	1.9
195.06677	0.8
203.07053	2.7
205.08644	2.4
207.06578	2.2
207.13904	1.4
215.07047	1.3
225.07448	0.8
233.08250	2.6
235.09760	1.8
237.18666	0.8
319.09341	0.7
325.10776	1.3
337.10803	1.5
351.12268	0.8
355.11990	0.8
357.13351	11.1
369.13351	2.4
387.14441	26.7
388.15158	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99828	0.4
61.05033	0.4
61.71112	0.4
63.89826	0.4
65.80469	0.4
68.98285	0.9
69.03439	0.8
70.52708	0.8
70.99849	0.9
82.99832	4.3
85.83594	0.4
97.01405	0.5
98.97576	0.9
101.00886	32.4
113.00879	2.9
115.02446	4.6
117.04025	0.8
119.01930	23.8
120.02023	0.4
120.42083	0.4
127.02416	1.6
129.03989	0.7
131.01900	3.2
133.03464	4.9
137.02965	0.8
139.02408	4.5
143.01840	2.6
145.03453	3.2
147.05107	0.5
155.01793	0.5
157.03471	37.2
158.03604	0.7
161.02966	1.4
163.04494	3.2
169.03465	4.7
171.05035	0.6
175.04529	13.5
176.04796	0.5
181.05591	1.5
187.04558	1.6
189.06163	0.5
205.05563	5.8
205.20970	0.4
223.06644	36.1
224.06834	1.2
241.07686	2.6
265.07678	8.0
279.09262	4.6
289.77991	0.4
291.09076	0.6
387.13470	100.0
388.13666	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	387.1441
Annotation	(-)-(3S,4R,6S)-3-(3',4'-Methylenedioxy-alpha-hydroxybenzyl)-4-(3'',4''-dimethoxybenzyl)butyrolactone
Peak:m/z	Relative Intensity
50.43832	0.5
53.03939	1.0
55.01878	1.3
60.88067	0.6
65.03926	2.4
67.05499	1.2
69.03427	1.2
69.42666	0.6
71.51776	0.7
77.30708	0.5
79.05480	2.5
81.03426	0.7
81.07048	2.2
82.04202	0.6
85.02905	2.8
86.09753	0.5
91.05504	3.5
93.03358	0.8
93.07042	1.4
94.04205	4.0
95.04969	2.0
95.08625	2.5
97.02892	0.9
97.06517	1.7
99.00819	1.0
99.08106	0.6
101.95967	0.5
103.05483	5.5
105.03432	0.6
105.07022	2.0
107.04971	3.4
108.02119	0.8
109.06511	1.5
109.10172	1.2
111.04410	0.7
115.05505	2.5
117.07040	2.3
118.04163	1.6
119.04945	0.7
119.08597	0.9
121.06529	0.9
121.10141	1.0
122.03662	7.6
123.04446	1.6
123.08040	0.8
125.05981	1.0
131.04941	4.5
133.02916	0.8
133.06509	1.1
135.04456	0.7
135.08066	1.0
135.11697	0.6
136.12071	0.5
137.05991	100.0
138.06360	0.9
141.05373	0.5
142.02643	1.1
143.04955	2.7
145.06451	3.2
145.10103	1.0
147.04494	0.8
147.08035	0.9
147.11786	0.7
148.05196	3.7
149.06030	0.6
151.03931	13.3
151.05038	1.5
151.07507	0.7
153.05440	1.2
155.06038	1.2
157.10056	0.5
160.05194	0.7
161.05959	0.7
163.07567	4.4
165.06892	0.8
167.07077	15.5
171.06590	1.0
172.05345	0.7
173.05962	4.5
175.07559	1.3
179.07143	0.9
181.04974	28.1
189.12706	0.7
191.07056	14.6
191.08803	0.7
193.08653	0.6
195.06543	0.8
203.07103	2.4
205.08658	2.1
207.13737	0.9
209.08185	0.9
212.94742	0.6
233.08173	1.7
233.15273	0.6
235.09598	2.7
241.10770	0.6
243.93617	0.6
249.08971	0.6
263.09277	0.6
271.09979	0.7
277.08514	0.8
295.09570	0.5
301.10715	0.6
309.11240	0.7
337.10864	0.8
341.13962	0.7
351.12317	1.0
355.11694	1.3
357.13324	11.4
369.13394	1.6
387.14465	28.2
387.19562	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.1813
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.3
55.05523	0.9
57.03429	2.3
58.06612	1.9
58.83898	0.8
59.04977	0.9
61.02921	3.5
67.05504	0.9
69.03442	7.5
70.06570	1.1
71.05000	1.7
71.50532	1.7
73.02917	2.4
73.36086	0.8
75.04486	0.9
79.05504	2.7
81.03408	3.6
81.07060	1.4
85.02912	18.6
87.04468	1.2
91.03966	1.1
91.05498	4.4
93.07078	1.0
95.04974	1.4
95.08631	1.3
97.02908	6.5
99.04446	1.5
103.03931	1.0
103.05461	4.7
105.07036	15.6
107.04951	2.1
109.02885	2.4
109.06509	1.3
110.97527	1.1
111.04565	0.9
117.07003	1.7
118.06557	5.5
119.08622	1.2
120.08118	10.5
127.03909	3.8
128.06232	2.7
129.05553	0.9
130.06532	3.4
131.03404	1.0
131.04959	2.6
131.07362	1.0
131.08546	1.4
132.08125	1.1
133.06421	1.0
134.06013	1.1
138.05527	2.3
142.07750	1.0
143.08597	2.8
145.04979	3.2
145.10115	1.2
148.07591	3.3
149.06038	1.2
157.10147	2.1
160.11232	50.5
161.04453	1.6
161.11674	1.1
164.07047	1.4
167.07086	1.6
176.07095	2.7
178.12289	52.8
179.12759	1.1
182.08084	1.4
183.11681	1.2
186.99266	0.8
204.06589	9.4
206.11795	11.1
207.06563	1.6
207.13773	1.1
221.06636	1.1
222.07646	2.2
224.09146	3.8
224.12833	100.0
225.13213	2.0
229.12326	1.2
247.13368	1.5
350.15921	0.9
386.13556	1.7
386.17874	3.6
387.16217	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	386.145
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	0.5
55.01870	1.0
55.05521	0.8
57.03445	2.5
60.30183	0.5
61.02935	0.9
69.03440	5.5
71.17493	1.1
71.75240	0.4
73.02916	1.9
79.05527	0.6
81.03423	1.5
83.04990	2.1
85.02524	0.4
85.02921	4.4
91.05445	0.4
93.07048	0.4
97.02890	1.4
99.04465	2.0
103.03933	1.2
105.07059	0.6
106.06561	0.8
107.08569	0.4
111.04462	1.6
115.03911	1.1
117.05839	0.6
118.06525	2.5
119.07320	0.5
120.04488	1.3
120.08120	2.7
124.03961	1.5
127.03976	0.9
129.05493	3.0
130.06544	20.6
130.07516	1.1
133.05170	1.9
134.02383	5.4
134.06108	0.5
145.04984	1.1
146.06026	5.0
148.03941	0.9
148.07597	33.5
158.06032	3.0
161.04640	0.4
164.07106	2.1
176.07097	27.9
178.08701	0.7
200.23984	0.4
204.06593	100.0
205.06935	1.6
205.75798	0.5
206.08147	0.9
206.11676	0.5
222.07654	22.7
241.32178	0.4
280.33536	0.5
350.12344	1.7
368.13315	2.2
386.14319	5.1
387.16077	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03480	0.8
55.04269	0.7
58.06586	0.7
67.05519	0.7
68.99828	1.0
69.54014	3.8
70.06604	100.0
75.07055	0.5
79.05524	0.8
81.03449	1.0
81.07090	1.2
85.02909	0.9
88.58479	0.6
91.05489	1.1
93.07060	1.0
95.05019	0.9
95.08636	0.7
98.21516	0.8
105.07082	0.7
107.04944	0.7
109.10217	0.6
110.61530	0.5
117.05777	1.9
119.04981	2.7
121.06535	1.7
123.04453	12.7
123.08089	0.8
130.06506	0.8
131.04971	0.8
132.08122	9.8
132.09038	1.1
135.04434	1.7
135.11787	0.6
137.06007	1.0
145.05272	1.0
147.04434	8.2
149.06017	4.6
149.09665	0.8
159.04449	1.2
160.07602	16.3
161.06076	0.7
165.05516	3.1
167.06999	0.9
175.07661	1.2
177.05496	51.9
178.06084	1.2
178.08656	26.0
189.05414	0.7
204.06659	1.0
206.08156	40.0
207.06607	1.1
207.08441	0.9
207.13866	0.9
222.07741	1.4
224.09209	41.7
225.09543	1.3
234.11235	3.9
256.88452	0.6
277.82800	0.6
305.65375	0.6
329.10278	12.8
337.26624	0.6
386.16037	41.5
387.16333	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.145
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.0
55.05509	0.8
57.03438	2.4
61.02913	1.2
67.05450	0.5
69.03436	3.8
69.85139	2.7
72.08147	0.8
73.02906	0.8
81.03430	2.5
81.07055	0.5
83.04980	1.6
85.02911	3.2
87.04470	0.7
87.92537	0.5
91.05517	0.8
92.05034	0.7
95.04965	0.7
97.02871	0.6
98.20853	0.6
99.04468	1.8
105.06962	0.5
106.06544	1.8
108.05235	0.5
110.06022	0.5
111.04445	2.1
117.05762	1.0
118.06541	2.3
119.07349	0.6
120.04505	1.0
120.08093	2.7
124.03967	1.3
127.03932	0.6
129.05533	2.6
130.06544	18.7
132.08104	0.6
133.05255	1.5
134.02397	6.1
134.06021	1.1
146.06023	4.3
148.07590	34.9
158.06064	2.1
161.43021	0.5
164.07095	1.2
176.07091	27.6
178.08711	0.8
203.58101	0.5
204.06586	100.0
205.06905	1.6
205.12300	0.5
206.08237	1.1
216.34546	0.4
222.07639	20.8
222.13626	0.8
223.13655	0.5
224.09102	1.0
224.13922	0.6
297.01910	0.5
350.12360	3.9
368.13467	6.3
369.14328	0.7
386.14468	4.3
386.19009	0.6
387.15955	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	14.3
56.96577	3.9
57.03428	12.6
59.05011	28.5
61.02920	11.8
62.57915	3.1
67.05505	4.3
69.03437	32.9
71.01363	14.9
71.04987	9.6
71.31480	4.9
71.31821	3.2
73.02924	18.6
75.04488	15.9
81.03416	7.9
81.09683	3.0
83.01379	4.9
83.04983	7.3
85.02911	57.1
87.04450	11.3
89.06045	3.7
91.03953	4.5
91.05487	4.0
95.01338	5.2
97.02900	26.2
98.11581	2.8
98.97571	7.4
99.04456	9.6
101.02395	27.3
101.06038	7.3
105.07025	4.3
111.04472	19.6
113.02370	46.4
115.03938	21.4
117.07804	2.9
119.03423	26.8
122.93192	2.9
125.02428	3.4
127.03909	11.6
128.06177	3.0
129.01837	13.5
129.05486	35.1
138.05524	6.8
139.03888	13.5
141.01855	4.5
143.03401	27.4
143.07065	8.0
145.04970	100.0
147.02902	19.4
148.07588	3.0
155.03375	6.7
157.04980	28.5
161.04472	13.7
161.34657	2.8
167.03349	5.4
171.06567	3.9
173.04465	7.4
175.06076	19.6
181.04663	3.5
185.04460	11.8
189.03964	6.7
204.06647	7.5
206.11763	6.0
207.05005	4.8
213.03944	26.2
223.62593	3.4
224.12865	12.2
231.05003	5.2
242.03351	3.2
254.12466	3.6
255.05109	28.2
259.04514	3.4
287.07596	18.8
322.11087	3.9
343.27048	3.4
386.17978	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	385.1861
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05523	3.7
57.03421	7.9
57.03679	3.3
61.02930	3.8
65.03932	4.2
67.05497	10.6
69.03414	16.4
69.07071	6.8
69.35260	11.1
69.35680	22.8
70.06600	100.0
71.04978	8.4
72.08143	4.2
79.05492	12.8
81.03399	7.1
81.07041	11.6
83.04997	5.2
84.08144	3.9
85.02913	25.9
85.06543	5.4
86.09705	6.2
91.05489	9.5
93.07050	13.5
95.04967	13.5
95.08604	10.6
97.02892	8.7
97.06519	5.4
98.20761	6.2
105.07025	17.1
107.04988	7.0
107.08579	9.9
109.02840	4.5
109.06512	12.7
109.10127	7.3
111.08112	6.5
117.07016	8.5
118.06548	14.6
119.08566	10.4
121.06499	21.2
121.10145	7.7
123.04388	9.1
123.08089	17.4
127.03927	5.3
130.06538	9.9
131.08572	9.1
133.06584	5.2
133.10095	9.3
135.04387	4.5
135.08044	10.5
137.05963	14.8
137.09602	5.4
139.07567	5.5
143.08559	7.8
144.08127	3.6
145.04947	4.8
145.10072	9.9
146.06042	6.6
147.04346	4.2
147.08128	3.8
149.06021	22.0
149.09641	12.6
157.10120	5.5
157.55002	3.8
158.03650	7.1
159.07904	5.0
159.11685	9.2
160.07585	9.4
161.09608	4.3
163.11171	17.1
165.05534	4.4
165.09088	8.8
167.07095	17.4
173.06061	5.3
175.11194	6.3
177.05489	48.0
177.12773	15.4
179.10736	4.9
187.07483	5.6
187.11255	7.4
188.07013	10.3
201.05536	33.8
205.12234	39.6
206.08150	26.8
207.13846	3.8
223.13301	53.6
281.13751	4.2
323.09332	4.6
329.10233	10.5
353.10059	6.7
385.13974	11.8
385.18301	16.5
386.16049	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	385.3467
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	4.0
55.01865	12.4
55.05508	19.1
57.07075	12.6
67.05507	30.9
69.07070	32.1
71.04982	13.5
71.08617	2.5
73.87664	2.1
79.05497	18.4
81.07061	63.4
83.08614	18.0
85.06541	11.8
91.05472	10.0
93.07047	42.4
95.08612	100.0
97.06544	6.7
97.10162	8.5
97.21748	3.1
98.21150	19.3
99.08094	2.8
105.07038	18.1
107.08591	45.2
109.10162	58.6
111.08087	64.3
111.11733	3.7
119.08589	23.7
121.10152	36.9
123.08092	2.2
123.11721	24.5
123.35828	2.5
131.08556	4.3
133.10176	17.0
135.11707	35.6
137.09645	3.2
137.12302	4.0
137.13261	35.1
139.11180	3.0
142.97365	2.6
143.08632	3.1
145.10126	13.3
147.11729	17.2
149.13274	32.8
151.14833	7.5
159.11661	14.9
161.13289	13.3
163.14870	15.3
165.12764	18.0
165.16441	2.4
167.14325	3.5
171.11765	3.8
173.13309	11.4
175.14787	5.8
177.16394	8.7
179.14380	6.7
187.14786	6.7
189.16425	8.1
191.17944	7.2
193.15927	5.4
201.16389	4.4
203.17960	8.5
205.19576	19.9
215.18047	5.1
217.19606	7.7
219.17577	3.0
221.19028	3.6
229.41766	2.7
231.21210	4.4
233.18950	5.5
235.20619	4.1
243.20982	3.1
245.22536	3.1
247.20636	7.7
257.22690	3.6
261.22226	5.6
271.24268	3.4
275.24020	2.6
287.27307	4.4
289.25333	2.8
303.26880	3.3
385.30289	3.1
385.34686	79.0
386.34875	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	384.1292
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05492	0.9
69.03420	2.0
71.51759	1.1
72.08161	1.9
79.05492	2.0
81.07079	1.1
85.02915	2.5
91.05450	1.2
92.51694	0.9
93.59971	1.0
97.02874	1.8
105.07014	1.3
106.06560	5.4
116.45470	0.8
117.05769	1.4
118.06532	1.8
120.04513	1.2
120.08087	2.2
124.03931	1.4
124.07653	0.9
130.06529	15.3
131.07310	1.6
132.08087	1.2
134.02390	7.4
134.06032	2.1
137.05916	0.9
145.10135	1.1
146.06035	4.6
148.03944	1.7
148.07585	18.5
158.06018	14.0
160.07567	1.2
161.04738	1.6
164.07072	8.3
167.07001	1.0
176.05548	1.5
176.07089	31.9
177.07292	1.1
189.64244	0.9
192.06566	1.2
204.06578	53.0
205.06923	1.1
216.19376	0.9
222.07629	100.0
223.07990	2.5
238.05353	1.5
240.74129	1.0
242.42400	1.1
295.10132	1.0
384.14349	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.1292
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.4
57.03439	1.4
59.02034	0.9
67.05491	1.1
69.03440	7.3
69.30293	9.8
70.06561	1.8
78.03423	1.1
79.05489	2.9
79.47826	0.9
81.03413	2.0
81.07067	2.4
85.02908	4.3
89.31178	1.0
89.59662	1.1
91.05466	1.2
97.02892	2.2
99.04450	1.9
105.07056	1.1
106.06583	6.0
107.08579	1.2
109.02887	1.5
117.05743	1.9
118.06557	3.9
119.08578	1.3
120.04453	1.2
120.08108	2.8
124.03963	2.5
127.03934	2.4
130.06540	29.0
131.07336	2.1
133.05231	2.4
134.02374	11.8
134.06036	1.8
136.06232	1.2
146.06024	10.1
148.03937	3.9
148.07585	43.0
151.03888	1.7
151.11206	1.1
158.06032	19.1
160.07654	1.4
161.04692	2.2
164.07065	9.3
176.07076	56.0
177.07503	1.1
187.13339	1.7
192.06541	3.0
194.08188	1.1
204.06577	99.0
205.06909	1.8
222.07631	100.0
223.07921	1.4
223.09915	1.1
252.10970	4.9
366.11743	7.8
384.12836	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	385.186
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	9.9
55.05511	21.1
59.04999	10.0
62.94685	7.5
64.27399	8.8
66.73520	7.5
67.05509	46.0
68.84951	7.1
69.03422	23.5
69.04047	7.7
69.07057	22.5
69.16072	9.7
69.16401	88.2
79.05493	32.1
79.76379	8.1
81.07056	32.5
83.04987	51.2
84.08131	8.8
85.02929	11.4
85.06543	8.7
89.94599	8.1
91.05479	51.1
93.07069	44.5
95.04974	29.4
95.08595	29.9
97.06536	12.5
103.05510	9.4
105.07041	67.8
107.04955	22.9
107.08590	35.8
109.06528	10.6
109.10143	17.4
115.05481	8.1
117.07004	21.3
119.08593	35.1
121.06485	16.6
121.10191	17.3
123.08083	17.4
123.11726	9.8
125.09615	10.4
128.06213	24.6
129.06934	10.8
131.04932	10.8
131.08540	53.4
133.06471	8.8
133.10144	42.4
135.08038	14.0
137.05966	15.7
137.09561	12.9
141.06956	9.2
143.08542	41.6
144.09406	8.7
145.10123	32.0
147.08069	27.4
147.11633	11.4
149.05972	11.9
149.09624	16.0
151.07533	11.4
155.08543	14.0
157.10104	16.5
159.08049	44.9
159.11697	27.1
161.05972	12.7
161.09634	100.0
163.07510	11.7
165.09114	11.8
167.07056	24.3
171.08012	20.7
173.13252	18.4
175.11157	11.3
177.09137	35.5
183.11725	12.8
189.09102	56.3
189.12708	19.5
199.11153	11.0
201.05524	10.5
201.12747	48.6
207.10114	24.2
217.12190	21.4
219.13850	19.4
229.12177	58.4
235.07535	12.2
235.13321	10.9
247.13322	31.4
265.08847	13.8
265.14441	14.4
269.88617	9.4
289.14496	10.4
293.12167	9.4
353.10092	11.6
366.26559	9.2
367.17694	22.6
367.22305	8.8
385.12732	48.8
385.16974	11.4
385.23413	16.5
385.27774	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.3311
Annotation	Dendronesterone A
Peak:m/z	Relative Intensity
54.12209	1.8
55.05516	11.6
55.41945	2.3
57.07079	4.0
58.06604	2.0
67.05507	11.7
69.07076	22.3
69.18391	20.3
79.05487	4.5
81.07059	17.3
83.08607	5.9
91.05499	3.4
93.07073	9.9
95.08609	29.0
97.10183	4.4
98.20772	3.7
105.07048	13.3
107.08591	15.7
109.10172	20.9
111.11712	5.6
117.06970	2.3
119.08591	12.0
121.10149	17.9
123.11704	6.6
125.09674	2.7
126.46596	2.1
133.10139	9.4
135.11696	6.9
137.13260	5.5
145.10141	7.5
147.11673	8.9
149.13293	6.5
159.11708	2.9
161.13280	5.6
163.14833	5.3
173.13261	3.3
175.14868	5.1
177.12631	2.3
185.13290	2.5
187.14877	3.4
189.16435	6.2
191.14374	2.4
191.17949	2.3
201.16405	2.4
201.34097	1.8
203.18022	4.7
217.19559	2.3
227.17917	4.3
229.19565	2.7
231.79903	2.1
243.21140	4.0
245.19066	3.3
257.19025	22.5
257.21768	2.6
264.53943	2.0
269.87427	1.8
271.20438	3.7
273.22186	4.0
280.17715	2.0
299.23767	22.2
314.04074	2.0
325.29007	2.9
365.31979	5.3
383.33127	100.0
384.33682	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	383.3311
Annotation	17-(4-cyclopropylidene-1-methyl-butyl)-10,13-dimethyl-2,3,4,5,6,7,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
Peak:m/z	Relative Intensity
55.05502	16.1
57.07077	8.5
67.05510	39.4
69.07075	60.9
71.04996	8.7
71.08639	6.7
71.52554	6.5
79.05493	19.4
81.07064	72.0
83.08621	13.8
83.89756	4.6
85.06546	11.9
91.05478	13.5
93.07058	44.9
95.04980	7.2
95.08610	92.3
97.06525	8.6
97.10180	10.0
99.08128	5.9
105.07043	44.4
107.08596	65.6
109.06524	6.4
109.10168	62.4
111.08093	6.0
111.11714	21.7
117.07002	8.0
119.08608	30.8
121.06516	5.2
121.10162	44.9
123.08067	6.1
123.11716	24.1
125.09651	7.7
129.06946	5.6
131.08574	11.8
133.10156	32.2
135.11700	27.4
137.09648	9.4
137.13277	20.1
143.08524	5.7
145.10132	17.9
147.11729	24.1
147.12697	5.0
149.13277	20.0
157.10190	10.6
159.11740	17.2
161.13264	15.7
163.14833	13.6
171.11736	11.3
173.13272	20.5
175.14867	11.9
177.16405	6.9
185.13249	15.9
187.14825	6.6
189.16362	10.4
191.14359	6.5
191.17970	13.0
201.16394	12.0
203.18022	12.5
205.19496	8.6
213.16322	8.1
215.17975	13.6
217.19470	12.5
227.17863	8.4
229.19678	5.3
231.20947	7.7
245.08499	5.5
255.21051	6.3
310.50772	4.8
327.98630	5.9
365.32031	18.8
383.29468	11.4
383.33209	100.0
383.37653	7.5
384.33267	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	383.2796
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27052	4.0
55.01874	10.6
55.05519	31.1
57.07068	16.4
67.05513	37.2
69.03416	6.9
69.07080	35.7
69.24305	41.8
71.04985	4.6
71.08643	9.0
73.06329	4.2
79.05505	22.7
81.03422	5.0
81.07066	58.5
83.04983	20.1
83.08604	10.4
85.06513	9.5
85.25813	3.9
91.05476	22.2
93.07059	40.4
95.08624	44.0
95.09205	6.7
97.06537	19.1
97.10165	6.5
99.08099	4.3
105.07028	26.9
107.08612	47.1
109.06544	27.5
109.10185	27.2
111.04461	91.1
111.05215	6.5
111.08078	13.3
115.09600	4.0
117.07025	5.4
119.08577	19.5
121.02877	9.1
121.10152	19.1
123.08099	34.3
123.11725	8.8
125.05174	7.1
125.06009	76.1
126.95641	4.3
131.08527	4.7
133.10144	24.9
135.08035	19.0
135.11705	27.1
137.05992	100.0
137.13199	8.4
139.07513	7.0
143.08545	6.9
145.10144	13.8
147.11696	11.9
149.09631	11.4
149.13286	9.2
151.07530	13.5
153.09172	4.6
153.12700	29.1
155.14284	6.1
157.10136	7.5
159.11667	10.4
161.09592	7.2
161.13232	6.8
163.11198	24.8
165.09041	5.9
165.12781	6.5
165.43190	4.3
171.11627	5.9
173.13301	5.9
175.11122	8.3
177.12723	7.6
179.10698	6.6
179.14319	47.4
181.10783	7.2
181.12254	84.6
182.13025	11.4
195.13869	20.9
203.17993	12.2
213.16397	4.5
221.19023	6.9
231.17390	5.4
249.18544	13.8
267.19601	4.4
277.18060	41.8
291.19556	16.1
293.21112	20.6
295.19025	6.1
309.20416	6.7
318.39389	5.0
340.75006	4.9
347.25769	13.2
349.27411	54.0
350.28101	18.1
365.26886	15.2
383.28137	26.4
395.97397	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	383.2582
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.2
55.05519	18.3
57.03445	4.6
57.07074	12.2
59.04995	5.0
67.05507	38.8
68.35151	3.0
69.03422	15.3
69.07059	13.5
69.52666	19.8
71.05001	6.5
79.05488	34.1
81.03423	3.9
81.07063	47.6
83.04984	5.8
83.08614	6.4
85.06540	8.8
87.04478	3.1
91.05485	50.1
93.07047	100.0
95.04971	24.0
95.08616	39.3
97.06530	10.3
103.05494	3.6
105.04515	5.7
105.07034	69.2
107.08604	45.6
109.06525	27.1
109.10163	25.4
111.08079	5.1
115.05486	3.6
117.07047	12.9
119.08585	55.6
120.09396	4.7
121.06490	16.6
121.10146	54.3
123.08076	33.6
123.11700	3.2
128.06216	5.6
129.07011	9.9
130.07814	5.4
131.08560	28.5
133.06512	10.6
133.10141	29.0
135.08072	23.4
135.11710	9.4
137.09618	10.7
139.79735	3.0
141.06955	4.9
142.07791	23.4
143.08614	20.5
144.09386	3.4
145.06522	4.2
145.10146	29.4
146.07278	4.0
147.08063	28.0
147.11650	16.0
149.09647	29.8
149.13272	4.1
151.07552	31.5
155.08533	6.8
156.09326	9.5
157.10149	37.4
159.08101	10.1
159.11685	14.4
160.08827	5.3
161.09639	15.2
161.13255	14.0
161.94273	2.6
163.07608	4.2
163.11212	8.5
165.09129	40.4
169.10150	5.9
170.10889	7.6
171.11693	7.9
173.09639	10.4
173.11931	2.8
173.13278	10.7
175.11191	18.5
175.14876	9.4
177.09138	15.9
177.12798	2.7
178.09909	3.9
181.10236	5.3
183.01012	2.9
183.11754	9.6
185.13274	15.4
187.11110	6.0
187.14786	3.4
189.12781	10.2
191.14404	3.0
193.10263	3.5
195.11725	5.6
197.13303	4.1
199.11113	3.5
199.14766	4.5
201.12741	10.0
203.14284	27.8
207.11894	4.5
207.13919	10.1
209.13370	3.6
209.15321	4.5
212.12082	3.1
213.12785	4.7
215.14270	8.1
216.15001	4.5
219.13792	6.8
221.15358	74.0
223.14973	4.8
225.12901	3.8
227.14462	3.8
231.13857	3.7
233.15439	7.4
234.16156	15.4
237.14801	3.5
262.36673	3.1
266.14957	3.1
281.19171	5.0
287.20084	7.4
299.20135	6.3
303.19757	6.3
304.34857	3.5
365.24811	11.6
383.25696	59.3
383.29697	6.3
383.33405	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	383.2583
Annotation	C25-Epoxy-apo-aldehyde
Peak:m/z	Relative Intensity
51.17108	2.3
53.03962	2.9
55.01870	3.8
55.05515	13.4
57.03430	2.5
57.07080	13.8
58.09733	2.5
59.04993	6.1
64.05270	3.0
65.03937	2.8
67.05508	37.3
69.03429	17.9
69.07056	10.2
70.98135	3.2
71.04983	7.7
71.51424	3.4
79.05494	27.0
81.03421	5.6
81.07065	43.0
83.04985	5.3
83.08610	6.1
85.06532	5.1
91.05487	41.6
93.07050	100.0
93.07643	5.3
95.04963	27.4
95.08617	40.8
97.06529	5.7
105.04520	3.0
105.07035	67.8
107.04926	2.7
107.08596	42.0
109.06533	20.9
109.10168	27.7
110.38303	2.3
111.08092	7.4
117.07019	11.2
119.07819	4.2
119.08598	51.4
120.09391	4.4
121.06514	11.4
121.10152	40.5
123.08078	30.6
123.11662	3.0
128.06236	6.8
129.06996	9.7
130.07713	2.6
131.08557	27.8
133.06494	10.0
133.10149	31.9
135.08041	26.7
135.11694	11.5
137.09589	12.8
141.07011	3.7
142.06834	3.2
142.07774	19.1
143.08582	19.8
145.10126	37.5
147.08051	27.8
147.11713	14.9
148.08658	3.4
149.09642	25.2
149.13197	2.9
151.07555	38.4
155.08560	6.3
156.09290	7.8
157.10133	43.0
159.08066	9.3
159.11665	19.4
160.08859	2.9
161.09637	18.2
161.13246	10.2
163.11162	7.8
165.09119	40.4
167.08527	2.6
167.84489	3.0
169.10149	9.2
170.10970	5.1
171.11658	8.9
173.09599	11.2
173.13266	11.7
175.11230	22.9
175.14761	6.2
177.09142	11.2
178.09773	4.1
179.08641	3.6
183.11723	7.8
185.13239	19.5
187.11250	6.1
187.14862	6.7
189.12764	9.6
197.13240	3.9
199.14957	3.3
201.12756	10.2
203.14307	30.3
203.46518	2.5
207.11942	3.0
207.13876	13.0
208.12283	2.5
209.13272	6.4
209.15305	5.9
211.14822	3.8
213.12820	6.1
213.16208	2.9
215.14273	8.1
218.10646	2.9
219.13773	10.1
221.15370	73.3
223.14774	4.4
225.12781	3.3
231.13803	5.9
233.15382	7.9
234.16182	18.9
243.13849	4.4
286.18927	5.8
287.20020	8.3
299.20050	5.8
303.19443	8.5
351.68735	3.0
365.24750	12.0
383.25711	74.7
384.25931	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	383.2433
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64507	0.6
55.01868	5.5
55.05516	5.3
57.03428	2.6
57.07071	1.6
65.03931	0.8
67.05505	8.1
69.07073	5.4
71.05007	0.9
71.51072	1.2
79.05495	6.5
81.07064	28.5
83.04970	2.4
83.08630	2.3
85.06532	1.2
91.05495	4.2
93.07052	5.6
95.04980	1.0
95.08608	6.2
97.06539	1.6
97.99707	0.6
101.05947	0.6
101.09644	0.7
105.07053	3.8
105.86628	0.6
107.08620	4.9
107.49600	0.6
109.06533	11.8
109.10179	4.4
109.85612	0.6
111.04448	16.1
111.05213	1.0
111.08097	1.1
119.08598	5.4
121.10134	5.3
123.08096	2.6
123.11713	1.9
125.06003	6.7
128.06209	0.5
129.06914	1.0
131.08562	2.0
133.06499	0.6
133.10152	5.6
135.08054	3.2
135.11694	5.2
137.05988	100.0
137.13248	2.0
138.06339	1.4
139.07552	1.1
140.44385	0.6
143.08545	2.0
145.10143	1.8
147.08078	1.2
147.11708	6.4
149.09641	4.0
149.13287	1.2
151.07555	2.2
151.11107	1.1
157.10124	2.3
159.11768	1.4
161.09651	5.5
161.13261	2.3
163.11203	3.4
163.14789	0.7
165.09131	2.7
165.12825	0.7
167.10684	1.3
171.11693	1.8
173.11838	0.8
175.11168	5.0
175.14798	1.2
177.09212	0.7
177.12798	0.9
179.10712	2.4
181.26945	0.6
187.14819	0.7
189.12712	0.7
193.12234	2.3
203.17943	6.4
205.19658	0.9
213.16371	3.4
221.18982	2.0
223.14862	0.7
231.17459	10.5
241.15837	2.5
249.18515	14.3
277.18011	70.0
295.19095	9.8
351.21738	5.2
383.24380	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	383.2433
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.5
55.05498	2.8
57.03458	1.1
60.72246	0.8
61.02913	0.9
67.05508	7.6
69.03434	2.5
69.07076	6.3
71.10099	1.9
71.75592	0.8
79.05511	4.3
81.03419	1.8
81.07069	15.5
83.08605	2.5
85.02924	6.6
91.05500	12.1
93.07069	10.3
95.08621	22.1
97.02887	2.6
105.07042	43.0
107.08611	14.3
109.10173	18.5
117.07028	2.0
119.08596	33.4
121.10144	9.6
123.11713	6.5
127.03889	1.0
131.08601	2.6
133.10149	18.2
135.11685	1.9
145.04936	1.3
145.10129	3.4
147.11705	71.5
148.12035	1.7
159.11749	2.1
161.13278	10.3
164.31387	0.9
175.14835	2.8
189.16505	1.3
200.88269	1.2
201.16438	1.0
203.17984	100.0
204.18379	2.0
221.19144	1.3
368.12323	1.3
368.67749	0.9
383.14978	3.3
393.38779	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.9988
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98655	0.4
56.96569	7.2
57.34018	0.2
63.84896	0.3
65.17355	0.2
70.69004	0.6
71.95269	2.5
82.47276	0.3
85.50655	0.2
98.97591	100.0
99.97931	0.4
115.96434	0.4
116.98631	39.0
134.99670	9.9
140.00197	0.8
153.00708	0.6
167.98599	0.3
174.97649	0.5
189.23688	0.3
216.98750	1.3
230.93355	0.3
232.50517	0.3
234.99840	1.0
240.98643	5.0
241.00761	0.3
258.99783	62.6
259.99921	2.4
260.99997	0.3
261.03085	0.6
263.02753	0.3
274.97531	0.4
277.00842	62.7
278.01089	1.9
279.01010	0.5
282.01303	0.8
282.99921	1.4
295.02051	0.4
298.97897	0.3
300.02432	1.0
301.01086	1.3
317.98959	0.4
341.99026	0.4
382.99884	1.5
401.01056	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	383.0958
Annotation	Chrysoqueen
Peak:m/z	Relative Intensity
56.96555	4.4
61.18902	2.2
62.85730	1.9
69.46198	15.7
98.97592	33.2
99.06837	1.9
110.97572	2.9
112.99165	6.8
116.98612	6.7
122.73434	2.2
124.99237	2.7
131.00206	2.8
141.58385	2.0
151.01851	2.1
158.99677	4.2
161.01289	4.9
173.01305	6.6
179.02313	6.8
191.02472	3.3
197.03322	3.5
219.01845	6.5
221.03392	4.9
233.03296	2.8
237.02885	4.0
239.04454	12.5
323.06448	5.0
323.81332	2.3
377.12881	2.1
383.09177	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1492
Annotation	Unknow
Peak:m/z	Relative Intensity
64.24748	1.2
66.04729	1.3
67.05492	2.2
76.80764	1.3
79.05486	4.5
81.07065	2.4
84.68847	1.2
91.05480	3.6
93.07051	1.3
94.04190	4.7
98.20766	2.5
103.05457	2.2
105.07040	13.7
106.15147	1.3
107.04945	1.7
109.06518	4.4
115.05466	5.7
122.03668	11.2
128.06204	3.6
131.04857	1.8
133.06499	8.0
135.71643	1.6
137.05986	100.0
146.03630	3.6
149.05916	1.7
156.05681	2.3
161.05991	48.7
165.06941	1.4
167.06985	1.7
171.08145	1.6
175.07599	1.6
184.05237	2.8
191.08522	3.8
192.09296	2.2
199.07552	20.0
202.07797	13.5
203.08571	20.0
204.09373	1.3
205.06441	1.5
205.10175	1.4
212.32526	1.4
219.08046	6.8
220.08832	7.7
230.07233	1.8
231.08047	27.0
232.08835	6.9
235.11217	2.5
247.07564	4.5
248.08345	17.1
249.08928	2.9
259.07590	22.4
260.08334	9.4
262.09805	2.1
263.10736	11.2
265.08597	1.9
275.06992	2.5
276.07822	11.4
277.08551	5.5
291.10172	64.0
292.11072	7.0
293.08109	2.3
295.13385	2.5
322.90051	1.3
323.12756	17.3
351.12421	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	382.2802
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.2
55.01881	1.5
55.05507	4.3
56.05046	2.7
57.03435	1.9
57.07072	1.1
60.04533	100.0
67.05511	12.3
68.05051	0.9
69.03440	2.9
69.07087	4.6
69.49302	6.0
70.06600	3.2
71.05002	4.5
72.04527	2.7
72.08148	1.0
74.06090	2.4
79.05502	9.8
80.05022	1.5
81.03436	1.5
81.07064	14.4
82.06594	2.6
83.05003	3.0
83.08639	1.9
84.04533	0.8
84.08154	1.6
85.02923	2.7
85.06570	3.1
86.06104	0.9
89.39773	0.7
90.05578	1.1
91.05493	9.1
93.07052	10.5
94.06597	2.3
95.04983	3.4
95.08628	9.0
95.21948	0.7
96.08141	1.3
97.02896	1.1
97.06552	3.5
98.97577	0.7
99.04450	0.9
99.08114	1.4
101.06074	0.9
102.05569	1.4
105.07043	5.9
107.04982	0.8
107.08609	7.1
108.08141	1.4
109.06522	2.1
109.10144	3.6
110.09715	1.0
111.08115	3.0
112.07587	1.5
115.07572	0.8
117.07036	2.0
119.08588	3.7
121.06541	2.4
121.10168	5.0
123.08095	1.2
125.09679	2.9
131.08606	3.9
133.10194	4.6
133.11055	1.0
135.08083	1.0
135.11728	2.9
136.06215	4.0
136.07507	0.8
139.07567	0.9
139.11185	1.5
145.04926	0.9
145.10188	2.5
147.11722	3.1
149.06033	2.0
149.09660	1.5
155.10713	1.0
159.11781	1.6
161.13281	1.4
167.07106	1.3
167.10710	2.6
178.05016	6.7
185.08191	2.3
185.11714	5.4
185.13194	0.8
202.08495	0.8
203.09213	1.1
206.04553	1.9
220.06105	9.6
220.09715	2.1
220.11963	2.2
224.16447	1.1
242.17538	1.3
251.20074	1.3
260.18594	1.8
274.21609	1.3
292.22531	3.6
310.23816	5.8
328.24915	7.7
346.25888	15.3
364.26947	32.6
364.31558	1.9
365.27667	1.3
382.28027	85.1
383.13724	3.7
383.28497	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.1714
Annotation	Zeatin 9-glucoside
Peak:m/z	Relative Intensity
57.07092	3.8
59.04998	3.0
60.04535	2.6
69.43914	11.9
70.02979	3.3
72.04513	7.8
73.02913	2.2
81.09292	1.7
85.02908	5.4
85.06581	4.3
90.05572	59.4
95.04998	2.4
98.02406	7.1
101.33491	2.0
103.07598	4.3
113.06011	2.5
113.77257	1.7
116.03461	6.3
123.62825	2.0
124.07591	9.8
127.03909	2.0
136.92039	1.8
142.08673	6.1
159.53050	2.5
171.18080	1.7
184.09698	12.7
202.10776	21.3
220.11844	100.0
332.07059	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	381.3002
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80961	2.2
53.03939	3.7
55.05516	16.4
55.21262	2.7
56.29770	2.8
57.07102	6.0
64.47926	2.6
67.05509	92.0
69.07069	13.9
69.13153	2.4
71.04989	3.8
71.51904	2.8
79.05505	41.0
81.07063	100.0
83.08626	11.2
85.06551	4.0
91.05486	21.7
93.07056	48.5
94.06589	10.4
95.05035	3.4
95.08614	72.5
95.56294	2.5
97.06531	3.7
97.10170	6.6
99.08082	4.1
105.07040	17.9
107.08611	33.0
109.06575	3.0
109.10172	40.6
117.07043	7.6
119.08582	16.2
121.10156	32.3
123.11720	21.2
131.08566	14.9
133.10161	14.2
135.08075	3.7
135.11707	22.8
136.11229	3.7
137.13286	7.2
145.10136	11.0
147.11697	9.3
149.13274	14.2
159.11728	15.0
161.13263	8.6
163.14827	7.7
165.12794	2.8
165.16634	2.7
173.13307	10.2
175.14839	6.4
177.16237	3.6
187.14871	8.2
193.09904	2.7
201.16440	3.5
213.10294	5.8
213.16273	3.1
255.14981	5.4
261.25928	4.8
271.24109	7.7
289.25284	82.4
339.24292	4.5
363.28833	3.1
381.29889	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	381.3007
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03967	2.9
55.05523	17.1
57.03449	3.8
57.07081	4.7
65.03941	4.4
67.05518	97.0
69.07082	18.9
69.47140	15.0
79.05508	43.0
81.07074	100.0
83.05005	3.1
83.08630	9.2
86.10259	2.6
91.05485	20.9
93.07063	55.8
95.04960	3.2
95.08627	76.2
97.10176	7.7
98.20770	4.6
99.08120	2.3
105.07045	17.8
107.08620	38.6
109.09472	3.9
109.10174	45.0
111.08092	3.3
117.07017	5.6
119.08626	13.4
121.10173	37.9
123.11758	18.4
131.08621	19.7
132.42212	2.0
133.10141	16.0
135.11710	24.1
137.13278	9.4
141.99837	2.2
145.10156	14.3
147.11710	8.8
149.13297	12.9
151.07521	2.8
159.11746	13.4
161.13312	6.6
163.14844	6.1
173.13348	11.4
175.14859	4.7
177.16440	3.9
187.14799	5.1
189.16408	3.9
201.16426	4.1
261.25784	7.8
271.24237	9.3
289.25320	87.9
307.26337	4.1
363.29251	4.9
381.30115	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	381.0797
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96564	4.2
67.69305	2.9
70.35186	10.6
73.49993	3.1
97.02863	4.0
98.97572	9.7
101.00903	8.7
119.01925	6.2
127.42879	3.1
149.34676	3.0
153.50008	2.8
157.03476	13.1
167.27525	3.9
175.04510	4.5
199.84590	3.2
223.06676	12.6
249.07539	3.0
265.07782	19.4
303.01880	4.6
321.10349	10.7
357.67026	3.0
363.03418	4.5
381.04214	100.0
381.08157	43.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1337
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	7.0
67.05502	7.4
69.57997	15.8
79.05504	5.9
81.07055	8.7
83.08617	3.7
91.05494	8.3
93.07065	5.6
95.08617	8.1
99.32519	3.4
100.11255	4.1
103.42994	2.7
105.07030	6.6
107.08584	5.0
109.10159	6.4
119.08605	5.5
121.10182	2.9
131.08661	4.2
133.10161	5.1
145.10095	5.8
159.11717	4.9
161.09604	4.1
178.10399	3.0
189.07005	5.8
190.07764	6.7
190.26785	2.9
191.08618	4.8
202.07906	7.0
203.08607	3.2
207.08092	8.6
210.15057	4.7
215.08612	4.6
218.07304	34.7
219.08054	8.4
224.11673	2.8
229.06557	20.5
230.07214	10.8
231.08154	5.0
233.09666	8.1
235.07579	12.3
245.06006	5.7
246.06772	36.7
247.07512	11.0
250.09872	5.2
257.06018	11.2
258.06833	7.1
259.07611	6.7
261.09116	71.9
262.09760	5.0
263.07031	18.1
273.05496	4.8
274.06210	22.9
275.06989	10.2
277.08643	7.1
278.09338	15.2
289.08597	61.0
290.09311	18.5
291.06543	13.0
291.09518	3.0
306.08859	24.7
321.11224	100.0
381.14008	3.3
381.24084	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	380.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05496	11.5
68.05026	15.9
69.03429	16.8
70.06570	7.1
71.02705	11.0
71.03035	9.2
71.04993	72.5
79.05493	25.2
81.07063	38.5
85.02914	24.1
86.09745	9.6
89.75706	7.1
91.05486	21.2
93.07044	33.1
95.04972	14.7
95.08604	23.5
97.02880	11.5
97.06486	8.1
105.07027	27.4
107.05008	8.2
107.08578	20.6
109.06521	22.8
109.10165	13.6
114.05540	10.4
119.08589	25.5
120.08107	14.3
121.10123	7.8
127.07563	10.6
137.06003	9.4
137.09621	22.3
137.31761	6.6
141.08965	6.9
147.11707	21.4
156.12340	8.2
162.77817	7.4
165.09126	22.8
165.12770	100.0
173.09555	6.5
183.10185	33.2
183.13841	32.5
189.14525	7.5
201.11258	28.9
244.09525	8.9
245.09882	24.9
273.08981	6.8
321.14337	9.3
349.13870	12.6
357.27948	7.6
381.16565	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	381.0437
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96555	3.9
65.48618	3.4
66.33643	3.4
70.94044	7.3
82.99817	3.3
85.02937	4.5
87.81997	3.6
88.79852	2.5
90.52813	3.4
91.57679	2.7
98.97588	9.3
101.00882	11.5
106.77155	2.6
110.97607	4.5
119.01902	11.1
131.01842	3.7
145.03488	6.3
157.03467	15.2
160.36447	3.5
174.98965	2.6
175.04483	4.9
199.90424	3.0
201.12718	3.1
223.06659	17.5
265.07800	20.9
277.07831	4.5
305.07071	3.3
321.10147	9.0
363.03040	4.1
381.04242	100.0
381.08176	28.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.2847
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	6.2
57.07088	10.6
59.04999	4.3
67.05501	8.3
69.07069	34.4
71.04987	3.3
71.08627	3.4
72.08127	2.3
79.05505	11.4
81.07058	15.4
83.08604	4.6
85.06544	5.9
85.10171	5.1
89.06042	17.4
89.08979	1.7
90.25723	2.0
90.51984	1.9
91.05484	12.7
92.77434	1.9
93.07047	25.3
94.23448	2.6
95.04926	2.5
95.08600	13.4
97.06525	3.3
97.10159	2.4
101.09671	21.3
105.07027	7.4
107.08595	32.2
109.06522	7.8
109.10133	2.9
111.08090	2.3
119.08546	6.0
121.06506	3.1
121.10146	13.2
123.08079	7.0
123.11751	2.2
125.09606	5.7
131.08542	2.9
133.08597	6.5
133.10100	3.5
135.08061	32.3
135.11667	6.6
137.05960	6.5
137.09642	2.3
139.07562	7.9
145.10124	2.7
147.11685	3.5
149.09586	4.7
149.13242	8.0
150.06731	3.0
152.08302	6.8
153.09082	3.4
157.10194	2.3
157.84386	2.2
159.11742	2.1
161.09694	2.4
165.09143	26.9
165.12752	2.7
177.12775	6.4
179.14349	7.5
181.15921	9.8
191.14352	7.5
195.12445	2.0
209.15329	24.1
221.84595	1.9
263.20062	3.6
280.98209	2.4
289.36072	2.4
295.20071	2.5
329.24756	2.9
347.25833	100.0
348.26178	2.9
379.28571	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	379.2845
Annotation	Methyl 15-acetoxy-7-labden-17-oate
Peak:m/z	Relative Intensity
53.03945	1.5
54.73901	1.3
55.01853	1.8
55.05509	9.6
57.07079	13.4
57.88537	1.4
59.05011	1.8
65.34355	1.3
67.05511	10.3
69.06737	1.9
69.07074	26.6
69.47605	9.1
71.04993	4.0
71.08625	2.6
74.37770	1.2
79.05500	10.5
81.07057	22.8
83.04991	2.0
83.08604	5.3
85.06573	7.1
89.06049	1.6
91.05480	11.5
93.07041	20.7
94.75421	1.3
95.04992	2.0
95.08614	17.1
97.06535	4.8
97.10158	2.0
99.08091	2.3
101.09666	8.1
105.07047	10.1
107.08597	24.7
109.06517	10.5
109.10147	5.8
111.08047	3.9
119.08567	9.0
121.06493	1.8
121.10126	10.5
123.08025	6.7
123.11706	3.0
124.08850	1.8
125.06007	1.6
125.09626	2.4
126.65825	1.2
129.07001	1.7
131.08568	3.9
133.10126	6.0
135.08075	31.1
135.11702	7.3
137.06000	8.7
137.09613	2.5
139.07547	6.3
139.11137	1.5
143.08505	1.7
145.10089	3.6
147.08049	1.6
147.11745	6.4
149.09612	5.3
149.13258	5.4
151.07520	3.6
151.11186	1.3
152.08284	4.6
153.09126	1.6
153.12613	1.3
157.10124	2.6
159.11679	2.7
161.05350	1.3
161.09554	2.6
161.13229	2.1
163.11186	1.9
163.14798	1.6
165.09113	26.5
165.12744	5.9
173.13211	2.1
175.14864	1.4
177.12741	13.9
179.14291	5.0
181.15849	3.4
183.13802	2.4
189.12769	1.4
191.14270	4.4
195.13918	1.7
197.15430	3.1
201.14925	2.4
209.15327	9.1
249.85075	1.5
263.20062	4.0
290.27261	1.4
291.19543	2.8
305.21075	2.9
319.26379	1.9
329.24670	4.4
331.83081	1.6
347.25821	100.0
348.26178	2.1
351.28937	3.1
361.27335	5.4
379.28613	32.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.285
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13291	1.0
53.03952	2.6
55.01863	2.7
55.05524	8.2
57.07087	6.2
58.07399	1.1
59.05014	1.9
67.05520	12.3
69.07081	25.3
69.29128	9.2
71.04994	4.0
71.08637	1.5
73.06574	1.6
74.19456	1.0
79.05511	9.4
80.66045	1.2
80.75918	1.0
81.07074	18.8
83.04993	2.5
83.08644	5.4
85.06558	5.8
91.05505	9.9
93.07059	24.4
95.04972	1.7
95.08620	15.0
97.06556	4.0
97.10185	1.4
99.08083	1.0
101.09672	10.9
105.07054	9.2
107.04952	1.2
107.07883	1.9
107.08610	25.7
109.06544	9.4
109.10178	5.6
110.62772	1.0
111.08095	3.6
111.82218	1.0
113.05986	1.1
117.07047	1.3
119.08598	7.6
121.06536	2.4
121.10165	10.1
123.08107	8.2
123.11705	3.0
124.08846	1.3
125.09659	5.0
127.07585	1.1
130.52338	1.2
131.08638	3.0
132.18008	1.1
133.10181	4.0
135.08075	30.8
135.11697	5.3
137.05972	5.2
137.09627	1.7
139.07547	6.7
145.10132	4.3
147.08092	1.5
147.11716	4.4
149.09657	4.3
149.13269	6.2
150.06802	1.3
152.08350	4.9
153.09109	1.3
159.11720	2.2
161.09618	1.2
161.13271	2.2
163.14937	1.4
163.24429	1.0
165.09146	28.6
165.12779	8.1
173.13365	1.4
175.11229	1.4
177.12779	15.1
179.14386	5.2
181.15964	5.3
183.13835	3.8
185.13293	1.2
191.14337	5.6
197.15411	3.7
201.14900	3.9
207.84950	1.1
209.15399	10.4
242.13754	1.1
263.20117	2.4
291.19629	4.2
305.21030	2.3
319.26456	2.0
323.22275	2.1
347.25861	100.0
348.26190	2.5
379.28464	23.3
380.33084	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.0925
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67481	0.7
53.03938	1.3
55.01865	1.3
55.05517	1.2
56.96570	16.2
57.03442	2.2
57.27619	0.8
61.02926	2.4
67.05511	1.4
69.03436	8.1
69.07073	1.4
70.06602	3.9
70.48254	0.6
71.01352	2.7
71.04977	1.3
71.33920	1.6
71.95266	1.5
72.01550	0.7
72.08157	5.1
73.02924	2.0
79.05503	1.1
81.03416	2.6
81.07059	0.9
83.01328	1.0
83.04986	1.8
84.08145	1.1
84.96045	4.2
85.02914	13.6
85.06550	1.9
86.03242	0.8
87.04462	2.1
91.03957	1.3
91.05476	1.4
95.04987	1.2
97.02892	8.4
98.97592	100.0
99.04493	1.1
102.97036	0.7
105.07005	0.7
107.04999	1.1
109.02877	1.6
110.01315	0.9
110.97563	11.4
111.04479	1.8
112.99142	2.6
113.02335	1.0
115.03933	1.4
116.98629	45.2
118.75946	0.7
119.01896	1.3
120.08112	0.9
124.07639	0.9
124.99142	1.4
126.97009	0.9
127.03933	3.3
128.98619	11.2
129.01883	1.4
130.06572	1.1
131.00153	2.6
131.01881	0.7
132.95850	1.3
134.99672	15.7
137.06023	1.6
140.98631	1.8
143.00169	6.5
143.01941	0.8
144.00279	3.0
144.98120	1.8
145.01709	0.9
145.05013	2.4
146.99634	4.2
147.04451	1.4
149.01225	1.2
150.09222	0.8
152.98604	3.6
153.00505	0.8
153.01698	1.1
156.07658	0.7
156.98083	1.0
157.01810	1.4
157.07652	2.7
158.99669	20.0
161.01208	5.1
161.02705	0.7
162.99133	1.5
167.07088	2.3
169.01772	0.8
170.03505	0.8
170.99669	6.5
171.03194	0.9
173.01256	2.0
174.96939	0.9
174.99226	1.9
175.02885	2.1
177.00728	18.8
177.09126	0.8
179.02280	1.2
182.99692	1.2
185.04243	1.3
185.06870	0.9
186.04970	2.7
186.99190	1.1
189.00674	3.8
189.04327	1.5
191.02304	1.3
191.03868	1.7
193.04144	1.2
194.99710	3.1
195.01517	0.9
199.02852	1.4
201.00693	6.3
203.05763	1.2
203.07603	2.0
204.06035	1.7
213.00740	4.4
217.03845	5.0
217.15547	3.0
219.01778	31.4
221.08702	5.2
227.02347	0.8
227.06723	1.4
233.06787	6.3
233.56967	1.3
234.99063	1.7
235.04753	4.1
237.02824	29.6
237.05150	1.6
239.04459	1.4
259.04654	1.5
260.07315	1.3
261.02829	30.5
261.05673	1.6
265.06525	1.2
274.07220	2.0
277.05890	1.5
279.03967	33.0
279.07523	5.7
297.05115	0.9
298.10123	1.0
302.05643	0.8
309.08740	1.3
311.03754	1.8
319.07141	1.0
319.12445	1.6
321.04999	8.1
321.08716	5.6
323.10208	0.8
343.06500	2.7
347.05801	9.6
361.15326	1.2
361.95261	0.9
379.08322	16.0
379.20773	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	378.3006
Annotation	Madangolide
Peak:m/z	Relative Intensity
53.03956	2.4
54.06873	1.1
54.27186	1.1
57.07084	7.2
58.06587	2.2
64.81767	1.1
67.73917	1.3
69.17577	5.3
69.18005	4.9
70.06598	15.3
71.08624	2.2
74.46594	1.1
79.43144	1.1
88.07643	20.3
95.04977	2.4
98.20708	2.1
102.09187	16.2
105.03405	61.2
105.07018	1.1
108.08936	1.1
149.06000	100.0
150.06427	1.1
163.97058	1.1
256.26385	67.4
257.26709	1.5
378.30084	82.9
379.30527	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	379.0849
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28634	1.7
56.96563	15.3
57.03458	2.3
69.03446	6.6
70.06616	2.7
71.00252	4.2
71.01353	4.3
72.08177	2.0
82.88691	1.9
84.08147	1.9
84.96045	4.0
85.02464	2.4
85.02891	10.4
97.02940	8.5
98.97595	31.3
98.98206	3.1
101.00905	4.8
109.02871	1.9
110.97617	8.1
112.99159	4.3
113.00879	2.2
113.02405	1.9
116.98680	6.8
119.01952	4.4
124.99133	2.6
128.98637	7.0
129.00278	1.9
129.01889	3.2
131.00208	3.3
131.01961	2.9
133.03523	2.9
133.37936	1.7
134.06317	1.8
139.00748	3.2
140.98558	2.2
143.00218	2.5
143.01981	3.2
145.01743	3.2
151.00040	4.6
153.01619	3.0
155.01958	4.9
157.01813	9.5
157.03473	3.9
158.99739	7.6
161.03067	3.8
169.02002	1.9
169.03532	1.9
170.99734	2.5
171.05159	2.9
172.94379	2.5
173.03078	3.9
175.02847	5.9
177.00768	2.6
181.01257	4.4
185.04330	8.1
187.04587	2.1
191.02168	2.0
191.04024	2.6
195.03148	1.9
196.94496	3.6
199.02855	10.8
200.06760	2.9
201.06004	2.8
203.04051	3.6
210.95946	2.3
214.95580	7.9
217.03937	6.3
219.01727	10.8
221.05211	6.3
228.97072	3.9
232.96584	4.9
237.02937	8.5
245.05197	2.5
246.98122	2.6
259.04996	3.5
279.03897	2.0
279.09369	3.0
311.03864	6.1
319.00146	15.0
319.07074	5.9
337.01242	2.1
337.08368	4.3
343.06326	26.9
343.93649	2.0
347.05914	31.8
347.09509	2.8
348.06284	2.2
361.07678	3.7
379.08673	100.0
380.09097	2.6
380.13364	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	379.1583
Annotation	Abafungin
Peak:m/z	Relative Intensity
54.10911	0.5
55.01865	0.8
56.96561	0.7
57.03423	1.1
60.01914	0.4
60.04526	0.8
67.05515	0.8
69.03450	2.1
70.06592	1.9
70.34562	0.4
71.51251	0.5
71.51660	0.4
72.08153	1.4
72.93799	0.5
73.02927	0.7
74.06078	1.9
75.04481	0.6
79.05534	0.4
81.03415	1.3
81.07056	0.6
81.75237	0.4
83.04956	0.6
85.02914	4.0
85.06564	0.6
86.03212	0.6
86.09720	1.0
86.91113	0.4
91.05468	0.8
95.04971	0.6
97.02891	1.9
97.06504	0.7
98.97578	1.4
99.04520	0.6
100.07628	0.4
103.05386	0.4
105.07051	0.8
109.02905	0.5
111.04446	1.1
116.07078	0.5
116.98638	0.7
119.04935	0.9
121.06547	0.6
124.92584	0.4
125.05968	0.6
126.40092	0.5
127.03930	0.8
128.07069	1.2
130.08681	0.4
137.06006	2.9
138.06361	1.6
141.50285	0.5
143.06975	0.6
143.08653	0.5
145.05023	0.9
147.04364	0.5
149.06003	1.1
155.59033	0.5
158.97441	0.9
163.02777	0.5
167.07018	1.1
217.10547	9.6
217.12474	0.6
233.14993	1.6
234.99017	2.7
273.81387	0.5
288.10367	0.4
289.03296	0.4
290.74518	0.5
301.03833	0.6
311.03253	0.4
319.04675	1.3
340.41049	0.6
343.06073	0.5
361.10101	0.5
379.15787	100.0
380.16022	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	378.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.8
53.77366	1.1
55.01854	1.1
55.05518	1.0
56.94135	0.7
57.03459	0.9
60.04266	0.9
60.04531	10.4
61.02910	0.9
69.03432	2.0
69.07055	1.6
69.94071	1.2
69.94467	2.7
70.06597	3.4
72.08150	1.7
72.15336	0.8
79.05500	11.4
80.53061	0.8
81.03416	1.1
81.07040	1.8
84.08149	1.3
85.02917	4.7
85.06555	1.0
86.06122	0.8
86.09722	1.0
91.05485	6.2
93.07051	14.8
95.04984	2.1
97.02896	1.9
103.05477	100.0
104.05800	1.1
105.07036	3.7
107.08598	0.9
109.06533	0.8
116.07095	1.0
117.07084	0.9
121.06516	14.4
124.07631	1.0
126.09167	2.4
127.03944	1.0
131.04941	7.0
131.08521	0.8
135.08075	3.3
137.05988	6.5
139.07520	1.4
145.04962	0.9
149.06007	11.8
153.09192	2.0
159.11615	1.0
163.07558	45.1
170.18004	0.9
181.08546	4.8
182.56787	0.8
199.09659	2.0
201.47592	0.8
216.06847	1.1
216.12357	2.7
233.06071	1.3
238.87735	1.0
251.07028	1.0
324.21707	1.1
332.11151	1.0
342.22961	2.0
360.23962	5.0
378.24863	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	378.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01567	0.7
53.03948	1.6
55.01876	1.3
57.03436	1.6
60.04535	7.0
61.02915	1.3
67.05507	0.8
69.03434	2.9
70.06585	1.0
70.97375	1.3
70.97701	1.1
79.05485	1.2
81.03416	2.3
81.07043	1.9
85.02917	9.8
86.09714	1.6
91.05497	13.0
93.07056	13.5
95.04980	1.9
95.05579	0.8
97.02884	3.9
99.04461	1.2
103.05470	5.4
107.04937	1.3
109.02942	1.3
119.04942	2.1
121.06521	18.7
123.04403	1.2
127.03954	0.9
131.04936	1.1
131.06090	1.0
135.08069	1.7
137.05968	1.3
138.06715	2.2
145.04948	1.3
147.04413	1.5
148.05182	1.0
149.06012	5.9
151.03903	1.7
151.07550	1.1
153.05487	1.6
157.33052	0.8
163.07579	1.0
166.06277	11.3
179.07219	0.8
181.08618	100.0
182.08954	2.8
184.07361	1.0
187.28036	0.9
199.09680	72.5
200.09970	0.9
216.12346	1.8
223.09711	1.4
301.57608	1.0
307.11682	0.9
342.22635	1.6
360.23929	5.6
378.25006	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2904
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	7.9
55.01871	9.4
55.05513	26.0
57.07072	9.3
59.11083	7.3
62.35331	6.0
67.05515	37.3
68.52818	6.8
69.03438	15.2
69.07074	34.5
71.04997	13.5
71.52106	7.5
74.83625	5.8
79.05509	27.8
81.03442	7.7
81.07063	100.0
83.05006	10.0
83.08608	14.0
85.02912	10.4
85.06546	17.2
91.05488	28.4
93.07049	53.6
95.04990	10.5
95.08607	59.8
97.06537	16.3
99.08131	11.9
103.05452	13.2
105.07051	40.0
107.04973	11.2
107.08597	52.3
109.06563	13.9
109.10178	44.4
111.04426	10.1
111.08090	49.5
119.08608	30.2
121.06499	10.7
121.10169	27.3
123.08125	10.3
123.11724	27.0
125.05932	7.4
125.09640	13.0
127.07553	7.4
129.07014	10.0
131.04939	18.4
131.08562	11.2
133.10118	16.5
135.08096	9.2
135.11699	18.3
137.05988	9.0
137.13242	10.5
143.08562	11.9
145.10104	20.1
147.08073	12.4
147.11711	14.8
149.13266	16.1
151.07570	9.2
155.08524	12.0
157.10133	14.4
159.08092	8.6
159.11729	12.6
161.13272	15.1
163.11093	7.9
167.07112	10.0
167.08575	9.2
173.09570	6.7
173.13196	9.7
185.13243	11.3
187.14806	7.8
197.13289	25.9
197.15135	5.8
199.11304	7.3
199.14857	10.5
201.16348	9.7
219.17374	8.1
234.11334	10.2
237.18491	37.3
301.84906	6.9
305.24728	25.1
323.25842	20.1
377.10141	7.3
377.15378	8.5
377.19955	17.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1559
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97286	0.5
54.03447	1.0
55.01856	1.2
55.05505	3.0
56.05024	2.2
56.96572	5.0
57.03444	4.3
58.99835	0.6
60.72684	0.7
61.02917	1.9
67.04247	1.8
67.05492	0.7
68.05023	5.0
69.03431	6.1
69.05798	2.1
70.06599	30.7
70.56870	1.5
71.01341	2.0
72.04513	0.7
72.08160	11.2
73.02927	3.0
79.05477	1.0
80.05018	2.6
81.03416	1.3
81.04524	2.2
82.04867	0.7
82.05331	11.6
82.06568	2.7
82.30569	0.5
82.99843	0.8
83.06091	0.9
84.04500	1.3
84.08152	24.8
84.96028	1.5
85.02913	9.4
86.06104	0.6
87.04466	0.8
88.56725	0.6
94.05321	10.9
94.06591	3.2
95.06095	1.4
96.04505	3.2
96.08141	19.5
97.01407	0.8
97.02905	4.4
97.08913	2.3
98.06046	1.9
98.09714	4.1
98.97588	6.6
101.00895	6.0
103.00621	0.9
103.02471	0.6
103.03944	1.1
106.06545	1.8
106.20650	0.6
108.08125	3.0
109.07644	14.9
109.08877	1.7
110.06001	0.9
110.08437	8.7
110.09637	4.6
110.97550	2.1
112.06337	2.2
112.07613	8.3
112.99133	0.7
113.00871	2.7
113.02348	1.5
113.07052	0.8
114.05546	1.1
114.09174	21.5
115.02438	2.0
115.03929	0.8
116.98625	2.4
117.02083	0.8
118.06467	0.8
119.01920	6.6
120.08122	3.6
121.01671	1.5
121.07616	5.8
122.08391	2.3
123.09199	5.6
124.07586	1.4
124.99168	0.7
125.07127	1.8
125.10723	0.8
126.09171	1.7
127.03897	2.1
128.98598	2.2
129.01837	1.1
130.06517	0.8
131.01909	4.3
131.03459	0.7
132.06834	2.1
133.01636	1.6
133.03493	2.1
133.07614	1.1
134.99696	0.8
135.09155	2.4
136.07590	1.3
136.09937	1.2
137.02852	1.0
137.10744	23.6
138.09155	1.4
139.02379	1.1
139.04033	0.6
139.08704	3.0
140.09427	2.1
141.01871	0.6
142.08617	0.7
143.00145	1.1
143.01860	4.7
144.98164	0.7
145.01567	1.0
145.03429	3.3
145.05045	0.7
146.99667	0.7
147.03244	0.8
147.09190	4.0
148.07549	1.8
150.09103	1.3
154.08630	0.9
155.01860	3.0
156.01990	0.8
157.03490	5.0
158.99593	1.5
159.01434	0.9
159.02968	0.7
159.04979	0.8
161.01123	1.2
161.03043	3.1
161.06654	1.0
165.10251	62.7
166.08656	3.9
166.10590	0.8
167.11803	7.3
168.04480	0.8
169.03496	1.5
170.99657	1.7
171.01355	2.6
171.05020	1.5
173.01440	1.2
173.02975	3.0
175.04517	1.7
177.00716	1.1
177.02533	0.9
179.02237	1.9
183.05119	0.8
183.11299	18.9
184.09686	1.4
185.02951	1.3
185.12781	0.7
187.02879	0.8
187.04536	1.5
189.00781	1.4
189.02504	1.2
191.02252	1.2
191.03943	1.1
192.04652	1.5
193.00253	1.2
195.01408	3.7
197.02966	1.5
199.00842	0.8
201.00731	1.1
201.12376	1.7
203.04085	0.9
205.00200	0.8
205.03685	0.8
207.01558	1.5
207.03554	0.9
213.02501	6.4
217.00127	0.9
217.02022	1.2
219.01711	1.5
219.03583	1.3
221.03275	0.9
223.06657	2.2
224.06805	0.8
225.02457	2.1
227.04099	0.9
229.05684	0.7
231.03558	4.4
231.07085	0.8
233.01384	0.9
239.02275	0.7
239.04347	0.9
245.05054	1.2
247.01112	0.7
251.02765	0.8
255.03873	1.0
257.05136	0.8
265.07861	1.4
267.03647	0.7
272.11334	0.9
275.02527	4.7
287.02176	1.0
290.08694	1.0
305.03476	0.9
317.03482	1.1
317.07037	1.0
320.60074	0.6
333.06686	1.0
333.12985	0.8
334.13815	1.4
338.09818	1.1
341.13541	4.9
345.06778	0.8
359.14505	30.1
360.15085	0.8
377.05234	11.1
377.15552	100.0
378.16010	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1458
Annotation	(-)-Riboflavin
Peak:m/z	Relative Intensity
53.03949	2.2
55.01865	1.2
57.03442	8.0
57.15416	0.4
59.04984	0.7
61.02935	4.0
67.27919	0.5
69.03434	14.6
69.83618	0.5
70.06593	0.6
71.01347	2.8
71.05000	3.5
73.02924	2.4
75.04464	2.1
81.03429	4.1
81.07058	0.6
85.02867	0.4
91.05490	1.2
93.07074	0.4
95.04949	0.5
95.08597	0.7
99.04462	5.5
103.05482	0.6
105.07031	0.7
107.08590	0.5
109.06527	0.5
117.05459	1.4
120.08082	0.6
137.05971	1.3
138.06303	0.6
145.07588	2.7
145.10091	0.5
147.09132	0.7
157.06355	0.7
159.09164	1.0
170.07143	1.7
171.07898	0.5
172.08710	32.9
190.09691	1.4
198.06645	8.8
198.10226	0.7
198.24547	0.5
200.08241	5.3
214.09830	0.6
215.14659	1.7
216.07709	18.6
218.09407	0.8
229.08426	0.5
243.08794	77.0
244.06990	0.9
244.09137	1.4
316.12775	0.9
359.13708	3.4
377.14575	100.0
378.14996	2.6
383.83380	0.5
386.34457	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1266
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.7
55.05476	0.4
60.04510	0.6
67.05507	0.7
69.03410	0.9
69.07060	0.5
69.19759	1.9
69.20190	1.6
70.06585	1.4
71.04992	0.5
76.17874	0.3
79.05493	1.0
79.71928	0.3
81.03384	0.8
81.07049	0.7
83.04962	0.5
84.04501	0.4
84.08147	0.8
85.02900	0.7
85.06512	0.4
86.09713	0.7
87.00874	0.4
91.05470	2.1
91.76888	0.3
93.07034	1.4
95.04947	0.7
95.08604	0.5
97.02939	0.4
99.04439	0.5
105.07030	1.0
105.59284	0.3
107.04974	0.5
107.08578	0.8
109.06528	0.5
111.08137	0.4
115.05463	1.6
117.07026	4.7
119.04912	0.7
119.08601	0.9
121.06514	1.5
123.08066	0.8
125.06020	0.5
127.03850	0.7
128.06216	2.2
129.05487	0.7
131.04927	0.7
131.08572	1.1
133.06464	1.0
134.07266	0.6
135.08038	1.3
135.11679	0.6
137.05994	3.2
141.06969	0.6
143.08525	2.5
145.06502	1.3
145.10114	0.7
147.04366	0.4
147.08023	1.2
149.09645	0.8
151.07532	4.7
159.07977	0.5
160.05196	0.4
161.05949	0.5
161.09627	0.4
162.06786	3.4
163.07518	1.2
165.09131	0.8
167.30608	0.4
169.66402	0.4
171.08061	2.8
175.07558	6.1
177.09119	100.0
178.09601	2.7
179.10794	0.6
181.08670	0.4
188.08398	0.5
189.09065	0.7
191.07144	0.7
192.10095	0.4
193.08546	0.6
195.10185	1.5
199.09781	0.4
203.10681	2.5
204.11028	0.4
209.10027	0.7
209.11813	0.6
216.63786	0.4
221.11752	3.8
222.12543	3.6
223.13385	0.4
235.07791	0.4
273.91205	0.4
313.03430	0.4
359.11606	4.0
377.12967	1.2
377.20453	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.0758
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.7
55.01871	2.6
55.05498	2.1
56.96572	41.0
57.03445	7.2
59.04998	2.5
59.51956	1.0
61.02929	5.6
67.05499	1.8
68.05019	1.1
69.03440	20.0
69.07037	1.1
70.03726	1.3
70.06602	12.0
70.23026	2.6
70.23418	2.2
71.01363	8.6
71.05006	2.6
71.95255	2.4
72.08166	8.3
72.68005	1.0
73.02930	7.7
74.97607	1.5
79.05495	1.4
81.03417	4.1
83.04964	1.4
84.08156	6.5
84.96042	12.4
85.02438	2.2
85.02917	29.9
86.03245	1.6
87.04477	5.5
91.03946	1.2
91.05467	2.8
93.07059	1.5
94.06548	1.4
95.04964	1.8
96.04467	1.6
96.08160	1.2
97.02906	16.8
97.96812	1.6
98.03266	1.4
98.97601	100.0
99.04453	3.9
99.97880	1.2
101.02381	1.9
102.54646	1.2
102.96986	1.8
107.04975	2.7
109.02889	2.6
110.97591	20.2
111.04432	1.5
112.07594	3.2
112.99139	3.1
113.02363	3.2
114.09164	1.9
115.00670	1.6
116.98634	27.1
119.01864	5.3
119.04939	1.6
120.02583	2.7
120.97935	1.7
121.06520	2.0
121.07674	1.3
124.99094	3.3
126.97083	1.9
127.00681	1.2
127.03935	9.9
128.98627	16.9
129.01872	5.0
130.08638	4.2
131.00195	4.4
131.01863	2.1
132.05722	1.6
133.02866	1.4
134.99666	5.8
137.05992	3.6
137.10771	2.1
140.02295	1.1
140.07025	1.3
140.98589	3.3
142.00540	3.8
143.00169	4.7
143.01910	2.4
144.98094	4.2
145.01768	2.7
145.04965	5.6
146.02306	1.2
146.99626	5.8
147.03267	2.0
147.04387	2.6
148.07600	1.3
149.04900	1.7
151.00638	1.4
152.98619	2.7
153.02260	4.8
155.00148	3.6
155.02890	2.0
155.04645	1.7
156.98094	3.3
157.01678	1.9
158.99675	19.8
159.03148	1.3
160.01521	1.4
161.01241	5.0
161.02922	4.3
162.99135	2.3
165.10271	5.6
167.07050	2.0
168.98152	2.0
170.99687	7.4
171.03250	6.2
173.01257	6.7
173.97310	1.8
174.99174	5.2
175.02667	2.4
177.00758	11.2
177.09140	2.2
179.00235	2.9
179.02306	2.1
179.07118	1.6
182.03305	1.1
182.99625	1.5
183.06784	1.8
183.11241	2.0
184.05273	4.0
184.97650	2.5
185.01120	1.2
185.04192	5.3
186.04416	3.1
186.99199	2.0
187.02849	1.8
189.00777	5.3
189.04388	3.1
191.02261	3.2
191.03886	3.1
192.04701	27.8
192.54874	3.0
192.90990	1.1
197.01228	17.7
197.02994	1.9
198.99171	1.4
201.00797	5.7
201.05234	2.1
201.07933	3.3
202.06438	1.7
202.98656	2.6
205.03856	1.5
205.53969	1.3
208.04910	4.1
211.02869	2.3
214.98697	2.3
215.02287	30.0
215.05699	3.0
217.05438	2.3
219.01779	17.1
219.08975	4.7
225.04295	1.4
227.02350	2.2
229.03792	1.4
232.99866	1.8
233.03264	7.2
233.06750	3.0
237.02844	13.8
237.08032	2.8
237.58220	2.1
239.02341	2.4
239.04495	4.0
244.04529	1.1
244.99991	1.7
245.03174	2.8
245.06970	1.7
253.07484	2.3
255.03856	1.3
257.03271	6.4
261.02802	1.6
263.04404	1.4
264.05844	2.3
269.03381	1.6
270.05255	1.6
271.04581	1.2
273.06345	2.2
275.00671	1.6
275.04416	4.0
277.03973	1.3
279.03708	2.1
280.07104	1.4
287.07001	2.7
291.07581	5.0
295.04251	5.1
297.06409	5.7
309.08594	3.8
313.05386	3.3
317.05469	20.1
321.05035	1.4
327.06860	14.2
335.06583	19.8
345.01291	2.5
345.07956	21.5
353.07703	2.9
359.09622	2.4
359.14227	2.2
377.05298	3.0
377.10614	40.7
377.15408	8.5
383.08929	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.0484
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80166	2.2
70.06600	5.6
70.32733	7.8
72.08158	5.3
81.67274	2.5
84.08129	3.1
97.02931	2.9
98.97531	3.2
99.85021	2.7
102.54996	3.0
102.98629	2.5
114.09168	3.8
137.10739	4.1
162.04637	2.6
165.10242	7.7
173.01341	2.5
183.11272	3.7
192.04741	9.9
196.99513	2.7
232.59113	2.8
323.99731	2.4
327.06787	3.0
333.98969	2.6
345.08014	4.6
359.14496	2.6
377.04883	100.0
377.10205	8.5
377.15137	17.7
378.05502	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	377.0486
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.7
55.05502	2.2
56.05035	3.0
56.96569	8.8
57.03428	3.8
61.02917	1.8
68.05019	5.5
69.03439	6.8
69.05813	2.0
69.20319	13.6
70.06596	25.8
71.01344	2.1
72.08166	13.1
72.92606	1.5
73.02928	3.0
79.05488	1.9
80.05019	2.3
81.04529	2.3
82.05330	11.6
82.06568	2.7
84.04512	2.8
84.08149	26.2
84.96033	2.5
85.02905	13.5
87.04431	1.6
94.05317	11.5
94.06574	2.8
95.06104	2.3
96.04514	2.7
96.08142	17.9
97.02881	5.3
98.06082	2.5
98.09711	2.1
98.97585	14.2
101.00905	9.0
103.00610	2.1
106.06554	1.9
108.08101	2.5
109.07648	16.2
110.08435	7.8
110.09671	3.5
110.97578	4.0
112.06330	1.8
112.07586	7.6
113.00909	3.3
114.05553	2.1
114.09178	19.5
116.98675	3.1
119.01909	8.3
120.02618	1.5
120.08112	4.2
121.01676	2.2
121.07613	6.1
122.08479	1.4
123.09175	3.9
126.09141	2.3
127.02484	2.0
127.03952	2.5
128.98592	2.7
129.03090	1.8
129.03998	2.3
131.01897	4.4
133.01704	2.2
133.03488	2.2
135.09192	1.7
136.07594	2.4
136.10010	1.8
137.10748	19.8
139.02338	1.9
139.08641	2.4
140.09454	1.9
143.00168	2.7
143.01903	3.6
143.05566	2.1
145.01628	1.6
145.03459	3.4
147.09160	3.3
155.01938	4.0
157.03473	6.0
158.99571	2.5
161.01311	1.7
161.02916	4.4
165.10255	64.6
166.08733	2.3
167.11815	6.5
169.03444	1.9
170.99701	1.7
171.01358	4.1
171.05107	1.6
173.03027	2.7
175.04576	3.2
179.02234	1.9
183.11331	19.5
185.01274	1.4
185.03024	4.2
189.00713	1.7
189.02435	1.8
192.04619	7.1
195.01419	6.0
197.03056	2.4
201.00752	1.7
201.12305	1.8
206.04388	2.2
207.01433	2.4
213.02425	8.9
223.06590	3.4
225.02428	3.2
228.68048	1.5
231.03540	6.5
231.07170	3.0
232.99518	2.0
235.67017	1.5
237.03123	1.7
239.04457	1.9
259.06595	1.7
261.02957	1.7
275.02603	10.8
287.02368	1.9
317.03662	2.2
333.06628	1.9
341.13541	3.8
359.14478	31.5
377.04941	34.2
377.15552	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.4
55.01876	1.3
57.03444	1.2
60.04533	3.5
61.02928	3.0
67.05499	1.0
69.03445	5.5
70.06593	1.9
70.97964	1.7
71.05004	1.1
72.08152	1.1
73.02911	1.5
79.05493	1.9
80.18925	0.9
81.03414	2.7
81.07088	1.1
83.04992	0.8
85.02918	22.9
86.03221	0.8
87.04482	0.9
90.07777	0.9
91.03964	1.4
91.05475	1.9
93.07049	1.7
95.08624	1.0
97.02911	7.9
98.06133	0.8
99.04471	1.0
100.29130	0.8
102.57167	0.9
105.07056	1.7
107.08607	1.3
109.02900	1.7
109.06550	1.9
120.08887	0.9
121.06543	1.0
122.03639	0.8
127.03932	3.8
130.06433	0.8
137.06000	100.0
138.06372	1.8
138.09172	0.8
145.04994	7.1
149.09572	0.9
151.07561	1.1
167.07005	1.8
179.07059	31.7
179.10619	8.8
180.08646	1.5
181.04962	1.2
190.08760	0.9
191.07034	1.4
193.70787	0.8
197.08073	4.7
208.09772	3.4
214.11539	3.0
214.14319	1.7
221.45517	0.7
234.82845	0.8
349.33224	0.8
358.22214	2.5
376.14130	1.3
377.17706	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13057	0.8
55.01870	1.4
55.05507	2.8
59.83762	1.2
61.02923	2.0
64.65288	0.9
65.03918	1.2
67.05505	2.6
69.03424	4.1
69.07066	1.9
70.06599	2.4
70.38954	2.2
71.04988	1.1
72.08164	2.0
73.02888	1.2
79.05499	2.6
80.68797	1.0
81.03415	3.2
81.07064	2.2
83.04967	1.6
84.08159	1.2
85.02901	8.7
86.09719	5.9
91.05484	4.8
93.07033	2.9
94.06556	1.4
95.04994	1.5
95.08604	2.9
96.08106	1.9
97.02884	3.2
97.06517	4.1
100.07615	8.3
101.05975	1.2
105.07091	2.4
107.04958	1.8
108.08144	1.5
109.02892	1.4
109.10157	1.4
116.07061	2.7
119.08576	2.7
120.08148	4.6
122.03664	1.4
122.09657	1.3
123.06712	1.1
123.08086	2.4
124.07597	26.1
125.05956	1.2
126.09147	2.2
127.03931	1.0
131.08560	1.1
133.06509	1.1
133.10097	1.6
135.11699	1.6
136.07578	1.1
136.11189	2.4
137.05986	52.6
138.06343	1.8
138.09140	26.2
139.09505	2.2
140.10713	2.7
147.08058	6.3
148.03952	1.4
149.06006	1.0
150.12770	8.2
151.03923	4.5
151.07588	1.2
151.11215	1.3
152.04208	2.7
152.10736	1.8
161.09677	1.0
167.07065	1.3
177.09070	1.2
178.12286	12.4
179.10687	11.0
189.09059	1.0
193.08578	1.8
196.13351	6.1
204.07378	1.1
214.14384	100.0
215.14645	1.3
226.20517	1.0
330.15070	1.1
376.14426	1.0
376.19562	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	375.2383
Annotation	Linarionoside A
Peak:m/z	Relative Intensity
53.03947	5.8
53.55721	1.6
55.01881	5.1
55.05518	17.8
57.03440	10.9
57.07079	4.9
59.04993	3.8
61.02934	11.8
63.82296	1.7
67.05521	9.8
69.03440	34.1
69.06728	2.8
69.07080	37.0
69.92230	5.0
69.92631	3.8
71.05012	11.4
73.02924	5.3
79.05505	9.9
79.49779	1.8
81.03424	15.0
81.07072	33.9
83.04999	8.7
83.08643	9.0
85.02921	80.9
85.06560	21.6
87.04480	8.1
91.03960	5.9
91.05491	5.4
93.07058	16.6
95.08624	41.3
97.02907	29.4
97.06536	7.3
97.10192	12.0
98.20879	2.0
99.04468	3.8
99.08095	25.6
103.05478	3.0
105.07043	7.2
107.08607	28.6
109.02906	10.2
109.06567	1.9
109.10163	14.3
111.08096	4.6
111.11717	9.5
113.09656	7.2
119.08569	4.1
121.09344	2.2
121.10177	37.0
123.08024	2.2
123.11732	11.3
125.09641	7.6
127.03942	21.0
127.11199	2.2
131.08594	4.2
133.10146	3.5
135.11705	17.3
137.13278	23.7
139.11176	9.6
141.02759	2.3
145.04974	13.8
145.10152	3.0
147.11673	4.5
149.13240	3.9
151.14842	6.8
153.12741	11.9
161.13261	2.2
167.07069	6.8
173.13271	3.5
177.09149	3.8
177.16418	100.0
195.17473	41.9
201.12784	2.9
207.13792	2.6
211.85927	1.9
213.18541	46.5
218.46094	1.8
219.13898	4.6
375.14410	4.8
375.23734	3.4
397.05084	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.2
55.01875	2.0
55.05505	2.9
60.94647	0.9
65.03937	7.2
67.05494	3.0
69.03427	1.7
69.07062	2.7
70.76853	2.8
73.02929	1.2
79.05498	2.7
81.03429	2.1
81.07073	6.0
83.04973	1.1
83.08620	1.2
85.02898	3.7
85.06514	1.8
91.05482	4.3
92.04997	3.5
93.07043	4.4
94.06538	1.7
94.65562	1.1
95.04957	1.8
95.07349	2.0
95.08611	3.4
96.08117	4.6
97.06571	1.6
97.10144	1.3
103.05482	1.8
105.03410	5.2
105.07023	2.9
107.04986	1.9
107.08561	2.3
108.08128	6.8
109.06510	1.3
109.10162	1.3
110.09682	5.6
116.04982	3.0
119.08617	1.9
120.04480	8.3
120.08115	4.9
121.06499	1.5
121.10132	1.5
122.05997	2.9
123.04464	1.2
124.07582	1.6
125.09634	1.7
127.03925	1.4
130.12082	1.1
131.04898	2.5
133.10115	1.5
135.08066	1.3
135.11668	1.4
136.07558	4.3
137.05977	3.0
138.09158	6.0
144.04456	4.3
145.10104	1.5
146.06049	1.4
148.03943	100.0
149.05966	1.6
151.07565	1.4
161.06029	1.9
162.05519	3.7
166.05005	15.1
166.08658	13.0
166.84621	1.2
167.07027	4.1
167.92789	1.1
172.03951	16.4
175.07588	1.2
177.09100	4.6
190.04991	7.2
190.44490	1.1
193.08510	1.9
195.17471	1.3
204.06598	26.9
216.87941	1.1
227.11723	2.0
253.08400	1.5
255.11354	12.0
266.11765	1.1
273.12445	9.2
283.10822	11.8
301.11865	78.7
302.12344	1.5
319.12872	2.1
325.11237	2.3
343.12885	9.9
357.13763	1.3
375.14896	1.2
375.19370	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1475
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.9
55.01877	2.2
55.05514	7.2
57.07063	1.6
67.05514	18.3
69.03439	6.0
69.07073	8.1
70.77796	3.0
71.04986	1.5
79.05498	18.1
81.07060	49.0
83.04980	3.2
83.08629	2.4
85.02911	3.5
85.06544	2.0
91.05485	22.1
93.07044	26.7
94.88892	1.6
95.04988	4.7
95.08613	24.5
96.08901	1.8
97.02905	5.3
97.06529	4.7
97.10163	2.8
105.07042	31.2
106.07424	1.5
107.04967	2.7
107.08619	21.8
109.06521	5.2
109.10156	6.1
111.04445	2.3
111.08086	3.5
113.02368	5.5
115.05476	2.9
117.07014	11.6
119.04961	2.0
119.08588	26.6
121.06509	2.0
121.10149	20.0
123.04440	2.8
123.08086	2.7
123.11717	100.0
125.06000	5.8
129.07008	2.6
130.07793	2.1
131.04964	2.9
131.08575	28.8
133.06525	7.4
133.10132	25.8
135.11714	6.2
137.06018	4.9
137.09662	1.8
142.07800	2.0
143.08589	6.4
144.09378	2.1
145.10133	26.7
147.08072	5.8
147.11697	13.5
149.09576	2.0
149.13222	1.5
151.07579	6.5
155.08679	1.8
156.09317	1.5
157.10167	2.4
158.10915	3.1
159.08067	2.9
159.11734	8.1
161.06001	6.6
161.09679	7.5
161.13272	35.6
163.07515	2.7
163.11165	2.6
163.14891	2.3
167.07050	9.8
168.09392	2.3
171.11667	4.4
173.13266	31.3
177.09117	47.9
177.10672	2.5
177.12820	2.0
179.10701	5.4
183.11710	5.1
189.12747	14.2
191.07043	2.2
191.14314	7.5
193.08640	16.8
201.12779	16.3
201.16437	5.4
207.13808	39.8
219.13821	42.7
219.17258	2.2
220.14157	1.7
224.66803	1.8
237.14871	45.7
237.17249	2.4
238.15067	1.8
316.13062	4.1
357.13632	2.5
357.17325	13.0
375.14529	3.6
375.18604	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	374.363
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56837	0.1
53.00299	0.1
54.07347	0.1
55.05505	0.5
56.05030	0.2
57.07079	7.3
58.06602	1.6
58.46207	0.1
58.70255	0.1
60.04514	0.2
68.05013	0.3
69.07067	0.3
69.33218	0.4
69.33627	1.2
70.06593	17.7
71.08632	3.0
72.08146	0.7
74.06120	0.2
83.08626	0.2
84.08163	0.4
85.02927	0.2
85.10194	1.3
86.09708	0.2
88.07632	22.1
102.09182	13.7
132.10201	1.1
146.11800	0.8
146.53143	0.2
150.11250	0.6
221.13548	0.2
251.73430	0.2
268.30072	0.7
286.31128	0.4
291.86301	0.2
294.31540	0.3
312.32599	40.5
313.32886	0.8
356.35223	2.9
374.36282	100.0
375.36694	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.0924
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86916	0.3
53.03934	1.0
54.26565	0.2
55.01865	0.9
57.03428	0.7
61.02932	0.5
66.27540	0.2
68.99778	0.3
69.03429	2.5
69.07037	0.3
70.06599	0.5
71.04975	0.7
71.12517	0.5
72.08141	0.9
73.02933	0.4
78.33625	0.2
79.05512	0.2
81.03422	3.2
84.04501	0.5
85.02914	4.0
86.09704	0.8
87.00840	1.9
91.05476	0.4
97.02885	1.5
99.04462	0.9
105.01866	0.6
105.07037	0.5
109.02895	2.4
109.06557	0.4
117.01885	0.4
121.06538	0.5
127.03924	100.0
128.04274	0.9
129.01801	0.3
129.10297	0.3
137.05984	0.9
139.03911	0.3
145.04961	1.0
147.02869	0.3
147.14333	0.2
149.05942	0.3
159.02921	1.2
165.05701	0.3
165.07045	0.3
200.54338	0.3
213.11136	0.3
231.04993	0.5
272.04886	0.3
375.16269	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.5
56.96561	1.2
57.03428	4.2
59.04995	3.7
60.25887	0.9
61.02927	2.8
67.05505	2.1
67.96773	1.0
68.53530	0.9
69.03441	6.7
69.07063	1.0
69.20456	4.4
69.20886	4.9
70.06577	2.4
71.01363	3.1
71.04991	2.1
72.08151	7.5
73.02905	2.7
79.05512	1.3
81.03421	2.7
81.07085	1.5
84.04505	2.9
84.08148	2.1
85.02910	20.6
86.09708	3.2
87.04474	1.7
89.06043	65.3
89.10802	2.1
91.05461	1.1
95.01332	1.9
95.04973	1.3
96.04488	3.9
97.02918	6.6
98.97588	1.8
99.04453	2.1
103.03925	1.9
105.07046	1.6
107.04964	1.7
107.07076	4.1
109.02863	0.9
109.10221	1.1
110.01575	0.9
110.05979	1.1
110.55811	0.9
113.02348	3.9
116.56226	1.0
120.34881	0.9
124.03970	12.8
127.03968	5.4
130.98985	1.3
131.03433	2.2
133.08614	20.8
133.10146	1.1
141.01826	3.0
145.04994	9.1
147.04430	1.6
147.07613	1.0
151.07530	1.1
151.09683	3.8
156.13083	1.0
159.02934	2.7
166.04913	1.5
177.03981	3.9
177.11253	4.7
180.06561	4.0
194.04529	2.5
194.08220	2.0
194.11737	1.1
195.12302	100.0
196.12550	1.2
198.07646	8.0
212.09174	1.5
215.86572	1.0
237.02873	1.4
271.04507	12.0
289.05640	1.4
374.05597	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.3632
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96565	2.5
57.07090	9.2
59.05017	1.0
65.06592	0.8
70.06602	17.9
71.01361	1.0
71.08629	3.1
81.07061	1.4
83.15767	0.8
84.08157	1.2
85.02898	2.2
85.10226	1.9
87.04486	0.9
88.07639	19.6
93.07053	0.8
94.91421	0.9
106.08681	2.2
110.97557	1.7
113.02356	1.0
114.09178	6.2
118.08631	2.1
128.98593	1.6
129.09171	1.1
132.10219	21.1
141.01691	0.8
145.05019	2.9
150.11269	17.7
151.03920	1.0
177.04042	1.1
271.04483	4.9
281.95380	0.9
289.05566	1.2
298.30951	1.2
312.32632	1.7
315.16208	3.8
330.33771	5.0
333.17462	8.5
351.18869	1.1
356.19031	1.8
374.36334	100.0
375.36630	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	374.1301
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	3.8
55.91412	2.4
56.96566	5.2
57.03445	20.5
59.04756	2.4
59.05016	22.2
61.02921	2.9
67.05540	3.5
69.03443	25.4
71.01364	18.6
71.04630	5.7
71.04986	7.2
72.04534	2.5
73.02927	18.0
77.03973	2.2
79.05492	2.9
79.87653	2.5
81.03435	3.7
83.01359	3.0
84.96069	2.7
85.02915	100.0
87.04473	10.3
92.91484	2.4
95.01340	4.7
96.08183	2.2
97.02899	24.7
98.97590	9.7
99.04440	7.8
101.00868	2.9
101.02389	7.4
102.70950	2.2
103.03963	13.2
109.02936	3.2
110.97558	4.1
111.04487	3.6
113.02383	27.1
113.03075	3.8
115.03928	5.9
116.98679	3.8
120.02641	2.5
123.04436	2.8
124.03943	2.9
125.02403	2.3
127.03941	17.9
128.98634	3.1
129.01851	5.3
129.05473	2.5
130.04988	3.7
131.00063	2.3
131.01939	2.9
131.03410	25.0
139.04012	2.6
141.01854	34.3
145.04988	54.3
147.04366	2.5
158.99606	2.3
159.01669	3.2
159.02940	26.0
173.03087	2.4
173.04477	3.2
177.03947	42.8
187.02361	6.4
191.05527	3.6
192.04730	4.7
198.07619	4.5
203.07483	3.0
212.09169	2.8
239.04491	2.9
243.05042	10.3
271.04510	95.8
287.58032	2.4
289.05545	17.6
303.07034	2.7
324.09332	5.2
356.11768	5.5
369.56091	2.5
375.09128	3.0
377.07907	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	374.1302
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22213	1.5
53.03955	2.8
55.01872	4.8
56.05024	1.9
56.96566	6.6
57.03451	22.7
59.05014	19.7
61.02946	1.7
69.03442	22.1
69.14949	6.1
69.15379	10.4
70.06597	2.4
70.98119	1.7
71.01364	24.9
71.04994	7.2
72.08140	1.9
73.02927	12.1
75.04476	1.9
81.03428	6.0
83.01353	2.8
83.04979	3.1
84.08150	4.6
84.96041	5.7
85.02921	83.3
87.04480	12.7
95.01338	2.8
95.04976	3.4
97.02911	28.4
98.20799	4.2
98.97585	9.4
99.04479	10.0
101.02406	6.2
103.03974	12.1
109.02882	4.6
110.97628	8.6
111.04435	3.4
112.99161	2.8
113.00912	4.8
113.02378	30.1
115.03963	6.0
116.98615	3.0
119.01907	4.5
119.03416	2.6
123.04424	3.1
125.02348	3.2
127.03930	5.1
128.98613	5.4
129.01872	7.5
129.10274	2.7
130.05022	4.2
131.00211	1.8
131.01961	7.9
131.03438	24.4
133.03374	2.0
134.05998	1.7
136.07594	7.0
141.01855	21.4
143.01878	2.9
143.03429	2.1
145.04985	64.6
148.07597	11.0
152.07098	3.2
155.01929	2.7
155.03381	2.9
158.99681	4.1
159.01617	2.6
159.02901	21.6
161.02986	2.1
164.07112	8.6
166.08676	3.0
167.03313	1.9
170.99680	3.4
171.01292	2.4
173.03011	2.2
174.99159	2.3
176.07065	12.6
177.03964	33.4
182.03427	2.0
183.02902	2.2
184.97520	1.9
185.04451	2.3
187.02417	5.4
189.02400	2.1
194.08191	17.6
196.03244	2.8
201.05981	1.9
205.03590	3.9
209.02759	2.5
212.09210	18.0
213.04091	2.3
221.03165	1.9
237.02640	2.1
242.07684	4.2
243.05048	9.7
255.04243	2.0
257.05042	2.8
269.07623	1.9
271.04526	100.0
285.04495	2.4
289.05557	22.6
303.07138	3.7
306.08224	3.4
324.09265	3.3
333.06732	2.2
342.10437	2.8
345.01636	1.8
356.12231	2.6
374.14307	17.2
374.23444	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1084
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.4
56.96580	3.2
57.03445	6.9
57.37147	0.6
59.05008	3.6
59.77069	0.6
61.02916	2.0
61.17949	0.6
61.19858	0.6
67.05502	0.7
68.05024	1.1
69.03443	5.6
69.07076	1.1
69.33884	2.7
69.34315	2.9
70.06588	2.3
71.01358	7.4
71.05000	1.6
72.08168	6.8
73.02925	8.0
75.00038	0.7
75.04469	1.0
78.03462	5.2
79.05484	1.3
80.05020	3.0
81.03420	2.2
81.07079	0.9
83.01362	1.9
84.04507	2.0
84.08127	2.1
84.96024	1.4
85.02914	30.8
86.09708	2.9
87.04479	2.2
88.03992	1.8
89.06041	1.8
89.10806	1.6
91.05450	0.8
91.70297	0.7
93.07046	1.2
95.01334	7.1
95.04995	1.3
95.08608	1.5
96.04510	2.8
97.02904	7.5
98.97607	4.4
99.00802	1.3
99.04472	2.0
101.02398	2.6
102.05561	0.8
103.03975	3.3
105.07063	1.1
106.02922	20.6
107.08578	1.3
109.02860	1.2
109.10114	0.9
110.07132	0.8
110.97578	2.2
111.04446	1.1
113.02397	9.9
116.98621	2.2
119.08566	1.1
124.03967	100.0
127.03951	6.4
128.98622	0.9
129.01859	1.0
129.10249	1.3
130.05038	1.7
130.06538	2.7
130.98962	0.9
131.03403	5.9
133.13060	0.7
137.05974	1.5
140.07043	0.7
141.01843	14.3
145.04980	14.3
145.06133	0.5
146.99693	1.1
147.04491	1.1
147.07649	1.5
148.07585	1.0
152.07115	1.0
158.99719	1.5
159.02913	5.0
159.11761	0.7
161.05959	0.8
164.07091	0.7
167.07089	1.1
170.99731	0.9
174.99127	1.1
176.07086	1.6
177.00735	1.1
177.04013	4.2
177.05334	0.8
180.06575	13.3
185.02899	1.2
187.02449	0.8
189.00652	0.7
194.08177	1.3
195.12383	3.7
196.98021	0.8
198.07637	84.5
199.08067	1.2
212.09242	2.4
212.24593	0.7
213.04158	1.0
219.01918	1.1
237.02840	1.4
243.05161	2.1
263.04147	0.8
271.04517	17.9
289.05554	2.5
311.06357	1.1
343.06424	1.0
356.09857	0.8
356.19083	0.8
374.10678	5.8
374.15073	1.3
374.19870	1.6
375.09424	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	6.2
55.05508	11.4
56.10389	3.6
57.07061	4.2
59.04971	3.5
67.05510	21.6
69.03441	8.6
69.07091	18.8
69.07866	3.6
69.33657	32.4
71.04971	5.8
79.05488	10.3
81.07064	27.9
83.04966	10.8
83.08622	8.1
84.08153	3.9
85.02905	14.4
85.06558	5.7
86.09707	5.8
91.05496	10.7
93.07037	14.0
95.04953	10.0
95.08617	41.4
97.10175	8.7
98.20751	6.5
99.08110	3.9
99.24861	4.1
103.05462	7.2
103.99965	3.4
105.07053	18.5
107.04960	10.9
107.08593	32.4
109.06519	13.0
109.10163	100.0
111.08099	17.9
119.04952	4.1
119.08585	37.9
121.06511	4.2
121.10136	15.4
123.04405	5.4
123.08058	12.6
123.11713	8.6
128.71513	3.4
131.04915	8.4
131.08574	4.0
133.10112	21.3
135.11707	87.1
137.05956	6.1
137.09641	14.1
143.08498	4.3
145.10115	4.6
147.11606	3.7
149.09601	4.3
149.13309	7.7
151.03976	3.6
151.11171	6.0
151.14819	8.0
153.01846	4.2
153.05479	5.0
153.12788	4.8
163.07541	8.2
167.07040	47.0
173.05981	7.4
175.07552	8.8
175.14839	47.5
177.05612	3.5
187.03825	4.2
191.07042	6.7
193.06485	4.6
193.15898	55.4
201.05536	6.9
211.16949	40.7
223.07378	3.9
235.07416	4.1
237.85155	4.1
251.06953	4.4
257.04495	15.1
258.05209	10.0
270.05182	5.2
279.06650	3.7
285.04202	16.3
286.04758	50.8
299.05566	16.0
313.10684	5.6
319.22592	4.3
327.12314	6.1
329.06622	8.0
355.11798	7.0
373.05542	43.3
373.12857	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	373.2448
Annotation	Gln Leu Leu
Peak:m/z	Relative Intensity
56.05045	3.6
67.05497	1.2
69.03440	0.8
69.07075	3.0
70.06593	2.7
71.04986	0.5
71.06813	1.3
79.05504	0.9
81.03416	0.8
81.07047	1.8
83.05048	0.7
83.06110	46.2
84.04514	47.6
84.08176	0.7
85.02921	1.6
85.06547	0.7
86.06093	0.8
86.09713	100.0
91.05522	1.1
93.07055	1.8
95.05066	0.7
95.08630	1.7
96.04503	2.9
97.06512	0.8
99.08124	0.6
101.07149	8.9
101.07771	1.0
105.07039	1.9
106.71183	0.6
107.08603	0.9
109.06544	1.2
109.10186	2.2
110.06073	0.8
111.08099	0.9
112.81786	0.5
113.07135	4.5
119.08629	1.9
120.08119	0.8
120.58788	0.5
121.02872	0.6
121.10161	0.8
123.08096	0.7
123.11775	0.7
124.11278	1.1
129.06621	11.4
132.10219	47.3
133.10204	1.0
135.11702	0.8
137.06041	1.4
137.09579	0.8
141.06581	6.7
149.09647	0.7
151.11166	0.7
152.10704	6.6
155.08322	0.9
159.11734	1.1
167.07080	0.8
169.13371	4.2
171.28708	0.6
175.14815	0.8
196.14481	40.2
197.12878	27.1
197.14731	1.3
201.05502	1.3
214.15521	19.2
224.13951	16.1
225.12343	6.1
242.15018	10.0
243.13379	0.6
245.18654	2.4
323.79309	0.6
325.10748	0.6
337.22479	0.8
338.20786	0.7
355.11975	0.8
355.23431	26.7
356.21548	0.8
373.13647	1.0
373.18372	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	373.2225
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.6
55.05511	14.0
59.78229	3.0
65.60080	3.1
67.05505	18.8
69.03437	9.8
69.07080	18.1
69.57946	2.8
71.05000	3.6
71.51735	5.2
71.92920	3.1
79.05501	10.2
81.03446	4.3
81.07072	30.0
83.04978	13.2
83.08628	8.6
85.02924	11.9
85.06565	7.5
86.09710	4.9
91.05511	7.1
93.07069	19.0
95.04969	8.3
95.08631	31.6
97.06515	5.6
97.10179	6.0
99.08083	4.8
103.05502	5.4
105.07062	12.0
107.04997	8.8
107.08608	27.0
109.06535	11.5
109.10172	100.0
111.08106	12.9
113.09671	3.1
113.37785	2.8
117.07034	4.3
119.04925	3.5
119.08600	39.1
121.10152	14.4
123.04493	3.6
123.08092	9.8
123.11729	9.5
125.06020	3.9
131.04930	9.2
133.10158	25.3
135.08026	3.3
135.11711	93.5
137.05997	10.7
137.09627	13.4
139.11188	4.5
147.04391	4.5
149.13239	7.4
151.11298	6.4
151.14844	11.0
161.06018	6.5
163.07515	4.4
167.07066	31.0
168.25600	3.2
169.06543	4.5
173.06140	3.5
175.07526	5.4
175.14833	39.2
187.04034	4.7
193.08641	5.3
193.15907	58.0
201.05722	3.4
207.08154	3.7
211.16974	42.6
219.06479	3.9
257.04416	12.0
258.05304	4.5
270.05176	4.1
285.03958	13.2
286.04758	33.6
299.05533	13.0
327.12408	4.7
329.06699	6.8
345.13449	4.2
373.05563	28.5
373.12988	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	373.2221
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	3.0
55.05519	4.6
57.03424	2.6
61.02929	2.8
67.05502	10.5
69.03425	4.8
69.07067	12.0
69.34875	11.8
69.35292	6.6
69.66316	2.0
70.06575	2.0
71.04997	3.2
72.08157	4.3
79.05492	8.1
81.03423	3.6
81.07053	22.2
82.57834	2.2
83.04978	2.2
83.08584	2.5
84.08115	2.0
85.02914	15.3
85.06550	4.9
86.09716	4.8
91.05478	11.8
93.03417	2.1
93.07038	12.2
95.04978	3.6
95.08602	23.4
97.02905	4.1
97.06524	3.9
97.10168	2.2
99.08101	5.7
102.48681	1.9
103.05504	2.9
105.07024	20.8
107.04958	2.9
107.08619	15.6
109.06519	4.4
109.10159	8.8
111.08106	3.1
113.09650	4.2
117.07040	3.1
119.08586	48.1
121.02894	4.5
121.06470	2.6
121.10165	9.3
123.11707	4.5
125.09661	2.4
127.04015	3.4
131.08565	4.5
133.10129	66.8
135.08032	2.1
135.11699	14.8
137.05984	14.3
137.09616	3.9
145.04910	2.8
145.10229	2.7
147.11630	4.2
149.02386	5.4
151.11171	2.2
153.05533	3.3
157.10197	3.1
159.11678	2.7
161.09694	3.2
163.11259	2.8
167.03333	2.5
167.07066	5.1
175.14835	100.0
176.15239	2.5
177.05437	3.2
191.07065	2.8
192.66145	2.1
193.08553	2.4
193.15910	11.9
204.68050	2.2
211.16963	5.2
219.17355	2.4
311.02185	2.1
327.12451	3.4
341.10178	3.4
355.11838	2.2
373.12979	3.3
373.18445	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	373.2222
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82182	3.9
55.05518	19.8
57.03439	4.3
59.04993	8.8
67.05491	24.1
68.36285	4.0
69.03420	15.3
69.07060	17.0
70.12691	5.9
70.13084	8.9
71.04993	7.1
72.08138	4.4
77.28518	3.9
77.98192	4.1
79.05498	7.2
81.03426	6.0
81.07050	31.7
83.04991	62.6
84.08147	7.7
85.02920	37.4
86.09711	20.5
91.05486	10.6
93.07041	11.8
95.04966	18.0
95.08593	17.1
97.02892	7.3
97.06528	3.9
97.37096	3.3
99.04462	5.0
105.03378	7.7
105.07043	11.4
107.04953	5.9
107.08598	16.8
109.02833	5.4
109.06506	11.5
109.10175	43.9
111.08056	4.9
117.07007	4.5
119.05072	4.4
119.08583	18.4
121.10145	9.1
123.08039	8.6
123.11699	4.6
125.09687	5.0
127.03921	8.4
131.08540	4.0
133.10118	13.4
135.08078	9.6
135.11688	9.4
137.05948	10.9
137.09628	100.0
143.08557	7.1
145.04961	8.2
145.10114	5.8
147.11618	3.9
155.10667	17.6
163.07492	5.3
165.09148	4.7
173.06033	4.9
175.14801	12.4
193.12213	6.6
193.15884	56.6
201.05470	15.7
235.16969	5.5
265.08490	5.0
314.00317	3.8
325.10800	6.5
355.11426	5.0
373.13336	12.3
373.18277	61.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1859
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	6.8
55.05509	18.9
57.03442	27.9
57.07061	13.0
59.04998	3.4
64.21632	3.4
65.03924	5.7
67.05508	100.0
69.03439	55.6
69.07058	10.5
69.43081	30.0
71.04990	12.7
71.08634	10.2
73.02905	5.7
78.46233	3.8
79.05486	9.0
81.03414	53.0
81.07069	21.6
83.04996	20.2
83.08624	12.8
85.02907	21.2
85.06545	4.1
85.10172	4.3
87.04458	7.9
91.05474	7.4
93.07053	8.0
95.04935	6.8
95.08598	14.1
97.02903	28.1
97.06520	4.4
97.10146	8.0
98.21535	4.0
99.04443	13.1
101.02355	5.6
105.07105	3.9
107.08582	9.8
109.02852	14.9
109.10155	78.8
111.04453	13.4
111.08077	4.5
119.08548	7.6
121.10140	4.4
125.07428	3.3
125.09637	7.7
127.03952	23.2
129.05472	7.6
129.40404	3.8
131.16545	3.3
133.10123	5.2
135.11739	3.8
152.03410	4.1
155.10709	16.6
170.07201	4.1
173.04442	4.9
173.11749	61.1
189.11168	5.9
221.75772	4.1
229.14394	8.0
299.14948	10.7
355.32034	9.6
373.13681	5.1
373.18570	95.2
373.31171	6.8
386.46838	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	373.1837
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21223	0.6
53.03944	0.7
55.01862	0.6
55.05523	0.8
64.22226	0.6
67.05506	1.3
69.03420	2.3
70.06589	0.7
70.24689	0.6
71.04968	0.7
71.31014	1.5
72.08148	3.0
79.05483	1.8
81.03450	0.7
81.07054	2.3
83.04987	1.5
84.08142	1.3
85.02908	4.2
86.09721	4.0
91.05478	2.4
93.07041	2.0
95.04963	0.8
95.08605	2.1
97.02905	1.5
97.06505	0.9
99.04440	1.1
103.05513	1.5
105.07028	2.3
107.04958	2.6
107.08614	1.5
109.06473	1.0
109.10151	1.5
111.08126	0.7
115.05434	0.8
117.07020	0.8
119.04948	1.4
119.08603	2.1
120.08127	1.3
121.10148	1.6
123.04415	0.9
123.11693	0.8
127.03898	1.2
129.10229	1.2
131.04938	0.9
133.06531	1.1
133.10176	1.3
135.08029	1.3
137.06007	4.6
137.09666	1.1
143.08246	0.7
145.06563	0.7
147.04500	1.1
149.06036	0.8
149.13313	1.0
150.06752	0.9
151.03911	0.9
151.07613	0.7
155.10707	0.9
158.03596	1.1
161.06007	2.0
162.05524	2.4
163.07584	2.9
166.08675	0.9
167.07082	2.3
173.06012	2.0
175.14867	1.5
177.05579	1.0
179.07080	1.0
179.08841	0.7
185.12831	0.9
186.03140	0.6
193.12224	1.6
193.15907	1.2
195.10007	1.1
201.05490	8.4
208.06181	0.9
211.13177	1.2
233.05971	0.9
251.06943	0.8
265.08670	1.5
293.07993	1.4
294.08755	0.7
307.09601	1.3
310.11014	0.7
313.10999	1.1
322.31323	0.7
325.10712	2.5
355.11563	0.9
373.18375	100.0
374.18555	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1838
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.5
55.05497	0.8
56.05025	0.5
62.20352	0.5
67.05500	1.3
69.03439	4.7
69.07072	0.5
70.06595	1.1
71.04982	0.4
71.51546	0.6
72.08167	2.3
78.07336	0.4
79.05493	0.8
81.07049	1.4
83.04996	1.4
84.04494	0.5
84.08154	10.1
85.02916	2.0
85.06545	0.7
86.09709	3.2
91.05484	1.4
93.07048	1.5
95.04984	1.0
95.08608	0.7
97.02895	0.8
103.05525	0.5
105.03381	1.4
105.07050	1.3
107.04948	0.8
107.08600	1.3
109.10184	0.9
115.03949	2.8
115.05549	0.5
117.07063	0.6
119.08598	0.8
121.10165	0.6
123.04440	0.9
127.03903	1.3
129.10265	7.9
131.04938	0.7
131.08574	0.6
133.10165	0.8
135.08076	0.6
137.05986	2.1
140.04718	0.5
141.45573	0.5
144.06519	0.5
145.02864	0.7
145.10132	0.8
151.03920	1.0
153.05481	1.3
155.07065	1.0
157.13362	0.7
161.05956	1.0
163.07603	0.8
167.07047	0.6
173.05937	1.0
175.07558	0.8
177.05504	2.0
179.07086	0.9
189.12479	0.5
191.07062	0.8
193.08812	0.6
193.12070	2.0
193.15901	0.6
195.06580	0.5
195.11465	0.6
195.13631	2.4
197.16408	0.5
201.03995	2.9
201.05214	3.0
203.05286	7.2
203.07094	0.7
204.68686	0.4
211.05937	0.7
211.09406	0.8
219.06535	0.8
221.05792	0.5
242.18687	0.9
244.53455	0.5
260.07199	0.4
265.08829	0.5
271.04565	0.6
313.10706	1.1
325.10742	1.5
355.11688	1.3
373.14761	5.0
373.18399	100.0
373.28134	2.0
374.18741	1.7
388.02655	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	0.7
55.01868	0.9
57.03444	4.1
59.04980	0.4
61.02917	0.9
64.30128	0.3
66.04711	0.6
69.03094	0.4
69.03440	4.6
70.05705	0.9
70.06087	0.8
70.06590	0.5
71.01345	0.4
71.04992	0.7
72.08157	0.6
73.02920	0.5
73.04736	0.4
75.04452	0.4
79.05500	0.9
81.03429	2.7
81.07053	0.7
83.04968	0.5
84.08173	0.6
85.02908	14.6
86.09701	1.1
87.04478	1.2
91.03955	0.6
91.05487	1.2
94.04181	3.7
95.04961	0.8
97.02903	4.4
98.21458	0.4
99.04461	1.3
103.03951	2.9
107.04961	1.1
109.02883	2.4
109.06489	0.4
115.03958	0.6
117.05526	0.6
122.02764	0.6
122.03657	9.3
122.11896	0.4
127.03938	5.0
130.05037	0.4
137.05988	100.0
138.06325	1.2
141.01833	0.3
145.05002	3.4
147.04393	0.6
159.47641	0.4
161.06001	0.5
167.07112	0.8
173.06085	0.4
177.05334	0.4
181.08508	0.4
183.06538	0.6
185.81032	0.4
201.05591	0.5
201.07585	0.9
207.09866	0.4
211.05968	0.6
211.09596	0.9
212.03799	0.4
219.08635	0.5
271.04596	1.0
341.10385	0.3
373.07166	0.8
373.14679	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	371.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	2.5
55.05517	3.4
57.03430	1.9
61.02931	2.9
67.05499	6.4
69.03440	9.2
71.04989	7.7
71.25040	4.2
79.05484	4.8
81.03440	3.9
81.07056	7.3
83.04973	3.4
83.08624	2.9
85.02908	11.4
85.06540	2.6
91.05472	4.5
93.07060	3.8
95.04984	100.0
95.08594	5.7
97.02886	5.5
97.06535	2.2
99.04478	26.3
100.11214	2.0
105.07030	4.9
107.04944	2.9
107.08612	9.8
109.06527	3.9
109.10175	5.1
111.08080	2.8
119.08567	5.6
121.06526	2.1
121.10144	5.3
124.74735	1.9
131.08548	3.2
133.10162	9.4
135.08099	4.1
137.05989	5.5
137.09612	2.8
143.08482	1.9
145.04944	3.4
145.10159	2.4
147.11636	2.6
149.09610	3.0
149.13300	2.7
151.11183	7.2
153.09123	35.6
163.14816	2.0
167.07054	7.8
173.13286	7.1
175.07536	4.8
180.32181	2.0
191.06914	2.0
191.14323	9.8
197.41600	2.1
209.15381	34.1
217.08649	2.4
218.07274	3.2
231.13742	2.2
235.07469	2.2
314.80280	2.0
339.12283	8.1
371.14801	12.5
371.19794	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	372.2748
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99626	20.6
61.44975	22.5
71.51112	35.0
77.08155	20.4
81.07074	23.3
87.04439	26.0
87.25584	19.6
104.73467	19.4
105.07011	21.6
133.01509	21.9
137.06010	36.2
146.94904	19.4
262.57727	22.2
277.18079	100.0
308.80508	22.4
310.30884	25.4
372.34973	56.4
399.98792	22.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1133
Annotation	Cycloshermilamine D
Peak:m/z	Relative Intensity
53.03951	4.6
54.32119	0.8
55.01855	1.1
57.03425	1.7
59.50808	0.9
59.92762	0.9
60.51395	0.8
62.97750	0.8
66.64386	0.8
67.05505	1.7
69.03445	1.6
69.07074	1.2
69.60474	5.8
71.04995	1.2
72.08137	1.1
77.03922	0.9
79.05481	3.8
79.08863	0.9
81.03402	1.0
81.07050	3.0
83.04964	1.2
84.08137	1.4
85.02923	4.5
86.09695	5.3
91.05473	3.8
93.07044	3.1
95.01318	3.2
95.04973	4.3
95.08597	2.1
96.10870	0.9
97.02934	0.9
97.06510	1.1
105.03397	100.0
105.04520	3.0
105.07004	3.1
107.04975	1.8
107.08588	1.7
108.82082	0.9
109.10162	1.4
117.07030	1.4
118.06417	0.9
119.04958	1.9
119.08558	1.7
121.10133	1.7
123.04424	3.9
125.09595	1.6
127.03913	1.0
127.36955	0.9
133.06454	1.0
133.10141	2.8
135.08023	1.4
135.11682	1.0
137.05975	6.5
141.01807	3.2
145.10129	2.2
147.04338	1.0
147.08057	1.1
149.06056	1.1
153.05470	1.5
158.03613	1.0
159.02904	1.1
161.06001	1.2
163.07545	1.2
167.07083	2.4
173.06006	3.0
175.03845	1.0
175.14810	1.3
179.03473	1.5
179.07047	25.0
180.10892	0.9
186.03093	1.0
193.77515	0.9
197.08093	10.7
201.05463	11.3
205.06570	1.4
217.15839	1.4
219.06558	1.4
250.06076	1.3
265.08582	2.4
281.08008	1.0
293.08072	1.6
307.09567	1.8
313.10916	0.9
321.36517	0.9
325.10675	4.4
327.12222	1.0
341.09894	1.8
355.11441	1.0
373.12939	3.1
373.18204	17.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2067
Annotation	Unknow
Peak:m/z	Relative Intensity
60.13715	12.6
61.71833	12.8
66.52584	12.1
67.05502	36.3
70.06348	39.2
70.06754	26.8
79.05486	25.3
81.07068	39.9
84.91795	16.5
89.92249	13.4
91.05467	14.5
93.07072	23.5
95.04981	14.0
95.08633	39.7
98.20856	17.3
105.07018	17.0
107.04913	14.3
107.08620	54.3
109.10155	19.7
121.10149	33.6
133.10129	100.0
135.08031	17.4
137.06020	14.5
137.09628	40.5
148.25349	12.8
167.07077	43.0
181.05017	14.8
191.14316	50.8
209.15375	33.8
252.07681	17.1
277.08636	14.9
339.12280	52.6
348.71362	13.6
355.39841	15.5
371.14893	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	371.2066
Annotation	Dearabinosyl pneumonanthoside
Peak:m/z	Relative Intensity
53.03936	2.7
55.05501	5.5
57.03445	3.4
57.06694	2.3
57.07076	3.9
59.04996	2.8
63.84836	2.2
64.14993	2.1
67.05498	7.8
69.03442	17.0
69.07053	5.0
69.18120	6.7
69.18528	16.8
69.43556	2.1
71.04997	3.7
73.02206	2.3
79.05519	13.4
81.03407	8.5
81.07054	22.8
83.04981	8.8
85.02909	35.8
85.03383	3.8
85.06544	7.4
89.21487	2.7
91.05478	5.6
93.07050	11.1
95.04968	8.2
95.08617	16.1
97.02888	10.9
97.06531	4.5
99.04427	4.3
101.06018	2.3
103.05436	2.8
105.07030	10.9
107.04976	8.0
107.08559	12.8
109.02878	3.1
109.06519	17.9
109.10174	8.0
111.08107	5.3
119.08601	9.3
121.06522	5.1
121.10139	16.5
123.08062	6.9
123.11678	5.4
127.03926	6.7
129.06995	5.1
131.08607	3.4
133.06474	2.3
133.10149	7.3
135.08052	4.8
135.11742	4.2
137.06003	12.8
137.09604	11.0
145.04964	7.7
145.10149	3.8
147.04414	9.1
147.11670	4.7
149.09631	14.7
149.13269	8.3
151.03911	2.9
151.11206	28.3
153.09088	3.6
157.06596	2.9
161.13347	2.7
165.12764	40.5
167.07045	19.3
169.12300	2.3
175.07605	5.0
177.05481	4.8
181.04953	3.2
187.07648	4.4
191.07054	3.4
191.14333	10.9
209.15372	100.0
210.15807	3.7
217.08636	6.0
217.16100	2.6
218.07207	4.0
234.06732	3.1
249.09177	9.6
251.07324	2.6
263.07056	3.0
265.08618	6.6
266.09268	3.5
277.08670	2.9
278.09360	3.1
280.07404	4.5
285.07510	2.6
293.08331	2.9
293.11734	7.9
296.10577	4.8
299.16199	2.7
300.09799	5.1
307.09750	3.8
321.11182	8.1
339.12326	31.6
353.13828	5.9
371.15024	22.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	1.8
55.05509	3.3
57.03439	2.0
59.83231	1.2
61.02924	1.8
62.43366	1.2
65.03935	2.2
67.05490	4.9
69.03419	3.2
69.07063	2.7
69.57024	4.1
69.57437	4.8
71.04987	5.4
72.43316	1.3
79.05495	7.5
79.05858	1.2
81.03429	2.6
81.07068	10.6
83.04972	3.1
84.08121	1.6
85.02911	10.3
85.06542	3.9
91.05483	5.5
91.35470	1.4
93.07063	6.7
95.04980	100.0
95.08597	6.1
97.02895	4.1
97.06526	3.2
98.21481	2.8
99.04462	20.6
100.11258	1.3
103.04000	1.4
103.05488	2.4
105.07022	6.2
107.04974	7.4
107.08578	5.3
109.06506	5.3
109.10152	4.1
111.08056	3.6
115.05472	2.1
117.07028	2.5
119.04942	1.6
119.08575	3.4
121.06507	2.9
121.10143	3.0
122.03646	1.8
123.04456	2.4
123.11679	1.8
125.05937	1.6
125.09637	2.1
128.06219	2.3
129.07011	3.1
130.19757	1.4
131.05009	1.8
131.08589	3.3
133.06525	1.9
133.10136	8.2
135.04439	1.2
135.08034	3.9
135.11626	2.2
137.06001	22.1
137.09625	3.0
144.05733	2.8
145.10133	2.8
147.08080	1.4
149.06056	1.5
149.09636	2.1
149.13251	1.5
151.07559	3.3
151.11159	2.2
153.07945	2.4
153.09120	34.5
156.05740	4.0
157.06497	1.6
159.08044	5.2
161.06000	2.5
161.13168	1.5
167.07068	22.6
173.13304	3.2
175.07570	5.6
177.05449	2.2
177.12453	1.4
181.06462	1.8
187.07487	7.8
189.09143	2.9
191.07027	2.6
191.14351	7.6
193.08566	2.6
195.06512	1.8
201.09149	1.4
202.06241	1.9
203.08549	2.5
206.07259	2.3
207.08025	1.9
209.15398	28.2
209.17343	1.6
215.08659	1.9
217.08592	16.2
218.07298	4.8
219.08043	2.1
221.09686	2.4
231.08051	2.5
231.17276	1.6
233.09644	3.8
234.06737	2.9
235.07524	4.5
236.08243	1.9
239.07050	3.3
241.08553	3.6
246.06676	2.5
247.07469	2.7
247.09712	5.6
248.08411	1.8
249.09103	5.8
250.06259	1.9
251.07127	1.9
252.07814	2.5
261.09116	7.7
262.06219	2.3
263.07050	2.9
263.11017	1.5
263.16293	1.4
265.08826	2.3
266.09149	2.0
277.08655	8.0
278.09363	4.1
279.08823	1.4
280.07339	1.7
281.08633	1.4
281.11819	3.4
285.07605	7.9
289.08713	2.0
291.09961	1.5
293.08282	1.5
293.11713	6.1
294.08734	1.7
295.09515	2.2
296.10437	2.0
300.09991	8.4
301.10513	1.6
306.09000	3.5
307.09833	1.9
309.11319	6.1
311.09210	2.2
311.12570	2.0
313.10687	2.7
321.11295	6.8
323.09171	1.3
326.11414	3.4
338.11334	1.6
339.12375	13.6
341.13913	3.2
353.13861	11.5
371.14951	15.2
371.20398	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2067
Annotation	Dearabinosyl pneumonanthoside
Peak:m/z	Relative Intensity
53.03962	1.5
55.01870	4.6
55.05504	6.1
57.07063	2.2
61.02915	2.5
63.60973	1.6
65.03951	2.3
67.05505	8.3
69.03436	19.2
69.07063	6.7
69.22050	9.1
69.22476	6.7
70.06596	4.0
71.04991	6.4
73.02908	2.2
73.04741	1.9
79.05473	7.3
81.03410	5.0
81.07053	11.5
83.04997	10.7
85.02912	23.2
85.06543	8.4
85.42262	1.7
86.09703	2.9
87.04505	1.9
89.06037	24.2
91.05482	7.6
93.07052	10.1
95.04978	100.0
95.08616	13.4
97.02883	6.2
97.06543	5.3
98.03194	1.6
99.04463	26.4
99.08118	2.1
105.07024	9.9
107.04958	4.1
107.08602	17.8
109.02879	2.5
109.06544	13.2
109.10149	5.6
111.04443	4.0
111.08080	12.8
117.06994	2.4
119.08582	6.9
121.06511	3.4
121.10155	11.5
123.04427	2.2
123.08070	3.8
123.11684	2.9
125.09644	17.7
127.03908	4.9
129.06996	3.5
129.30305	1.8
131.08583	8.0
133.06427	1.9
133.08614	12.0
133.10110	11.2
135.08063	16.2
135.11688	7.1
137.05998	6.0
137.09659	3.1
143.08589	2.6
145.04951	2.3
145.10062	3.9
147.11684	3.5
149.09637	12.2
149.13264	4.8
150.10344	2.1
151.03877	2.4
151.11211	3.3
153.09116	36.8
158.10918	3.6
161.05942	2.3
163.07495	3.3
163.11171	5.3
163.14832	3.6
167.07053	9.4
167.10680	5.2
173.13278	15.6
175.07513	2.3
177.11238	2.7
186.02911	1.8
189.12567	2.2
191.07004	4.0
191.14316	58.3
193.08611	3.9
209.07874	4.1
209.15381	78.8
217.08632	1.7
219.08063	1.7
261.09274	2.2
278.09439	1.9
301.12680	2.6
335.22375	2.1
353.14127	2.5
353.19559	3.9
353.23373	2.4
371.12976	2.9
371.16678	23.9
371.20691	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	371.1683
Annotation	Asn Thr His
Peak:m/z	Relative Intensity
55.05513	0.7
57.03443	0.6
67.05531	0.5
69.03439	1.4
69.07079	0.6
70.06599	0.6
73.04758	0.7
79.05480	1.1
81.03410	0.6
83.04981	0.8
84.08139	0.7
85.02917	1.3
89.06039	3.2
90.29070	0.4
91.05477	1.0
93.07047	0.5
95.04976	0.7
95.08596	0.8
97.02895	0.5
98.21494	1.4
105.07040	1.3
107.04966	0.7
107.08627	0.7
109.06513	0.6
110.06036	0.5
121.06483	0.5
121.10128	1.2
128.06192	0.5
131.08510	0.6
133.08620	1.7
135.08017	0.4
135.11702	0.5
137.05972	1.1
145.10167	0.5
149.09669	1.4
151.07620	0.5
153.08929	0.5
167.07071	1.5
175.07640	0.9
191.14317	1.1
209.04515	1.8
209.08034	1.0
209.11681	1.3
209.15402	1.3
259.07947	0.6
285.07480	0.6
300.10052	0.6
301.12628	3.0
353.13843	2.1
371.16830	100.0
372.17166	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18690	3.0
52.07382	3.5
53.03947	6.7
55.01871	7.0
55.05518	16.0
57.03424	5.3
57.07074	8.4
59.04992	4.1
63.13389	3.5
66.03452	2.7
67.05514	17.6
67.34338	3.1
69.03443	17.6
69.07062	13.9
69.38354	3.4
70.06605	3.4
70.89938	6.6
70.90263	4.2
71.04993	4.9
72.08149	4.7
79.05508	37.1
81.03441	21.6
81.07067	42.2
83.04987	8.2
83.08623	4.5
85.02920	47.8
85.06544	12.3
91.05444	19.2
93.07055	48.1
95.04979	9.9
95.08618	23.3
97.02910	4.9
97.06548	5.2
99.04449	4.4
101.06017	3.2
105.07071	24.1
107.08609	60.7
109.06512	7.5
109.10202	14.8
111.04456	3.0
111.08096	5.2
113.06023	4.2
115.05479	3.4
117.07053	6.1
119.08608	15.4
121.06528	8.3
121.10157	100.0
123.08080	3.4
127.03889	8.6
131.08566	9.3
133.10138	13.4
135.08083	27.4
135.11699	19.1
137.05978	6.0
137.09692	7.1
145.04967	4.1
145.10129	6.7
147.11681	7.6
148.06174	5.5
149.13290	4.7
151.07581	11.2
163.06024	3.4
163.14874	34.1
167.06990	4.4
173.13326	8.7
175.14731	3.5
191.10658	3.8
191.14322	35.0
193.08542	3.5
195.10123	4.8
209.04472	5.1
209.11728	3.2
209.15312	9.7
233.15292	3.7
238.13057	8.7
239.13394	16.1
251.16441	10.4
353.14191	4.0
371.16959	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	371.1494
Annotation	Spiraformin B
Peak:m/z	Relative Intensity
55.01868	0.9
55.05517	1.0
57.04492	0.8
64.06962	0.9
67.05511	2.2
69.03432	1.1
69.71397	0.9
69.90868	1.8
69.91262	2.0
79.05505	2.8
81.07059	4.1
91.05495	3.9
93.07039	4.0
95.04971	1.3
95.08615	3.7
97.06541	1.2
99.00259	1.0
103.05508	1.0
105.07049	3.7
107.04955	3.8
107.08613	3.1
109.06514	2.1
109.10172	2.8
111.08060	2.4
115.05473	1.4
119.04953	1.6
119.08615	2.9
121.06468	1.2
121.10180	2.1
123.08070	0.9
129.07042	2.2
131.04939	2.3
131.08562	1.7
133.10156	2.5
135.08067	1.7
137.06000	3.8
137.09679	1.4
145.10168	1.1
147.04443	1.5
147.11636	1.4
149.09581	1.0
152.06279	1.4
159.08076	1.7
159.11771	1.0
163.14822	1.0
165.06998	2.4
167.07103	9.2
167.08496	1.6
173.13365	1.5
175.07602	3.9
177.05518	1.3
177.07127	0.9
178.07811	3.1
179.07135	1.3
179.08611	2.2
181.06493	2.6
182.07300	1.0
185.06123	0.9
187.07547	2.8
189.07120	1.3
190.07834	1.1
191.08601	1.2
191.14362	2.9
193.06599	1.3
194.07271	3.4
195.08141	2.6
202.07750	1.4
203.08583	0.9
205.06609	2.4
206.07263	5.1
207.08072	4.2
208.08804	1.1
209.06038	2.0
209.15393	1.8
211.07463	1.0
215.08629	2.2
217.08736	2.4
218.07292	2.7
219.08109	3.4
219.10150	1.4
221.05998	3.4
221.09694	1.2
222.06818	4.7
223.07581	3.6
224.08362	3.0
225.08940	1.2
231.08141	2.0
231.69638	1.0
232.08920	1.1
233.09674	1.9
234.06775	5.1
235.07472	6.0
236.08400	5.1
237.05597	2.5
237.09151	3.5
238.06355	1.3
239.07016	1.2
239.20053	2.0
247.07597	2.0
248.08374	1.7
249.05571	2.5
249.09099	13.6
250.06308	4.7
250.09862	4.9
251.07080	4.6
252.07854	11.3
253.08536	2.2
261.09134	2.3
262.09958	1.2
263.07098	3.7
264.07791	5.9
265.05396	2.0
265.08591	19.0
266.09375	9.5
267.10132	1.4
275.10907	1.3
277.08670	3.3
278.06454	1.0
278.09518	2.9
279.06522	1.7
280.07349	11.1
280.10400	1.7
281.08087	5.6
281.11298	1.1
283.09860	1.6
292.07629	1.0
293.08130	3.7
293.11786	12.0
293.14313	1.1
294.09048	1.2
295.09726	5.1
296.10437	12.3
300.09912	2.0
306.08990	0.9
307.09805	1.5
309.11279	2.2
311.09485	1.6
311.12756	9.3
313.10840	1.0
321.11151	8.4
324.09958	2.2
325.10782	2.7
338.11404	1.2
339.12296	100.0
340.12851	7.2
341.13812	1.2
353.13852	2.4
356.12695	1.2
371.14957	38.1
372.15259	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1492
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	6.3
55.05508	9.0
56.43865	3.1
57.03437	3.9
60.08944	3.2
63.62917	4.1
67.05507	16.3
69.03427	14.2
69.07067	6.7
69.38596	27.3
71.04996	8.3
76.70203	3.4
79.05497	19.0
81.03393	3.2
81.07066	20.3
83.04971	7.7
83.08607	4.6
85.02899	11.6
85.06537	6.0
91.05455	17.8
93.07047	17.4
95.04984	96.8
95.08624	16.8
97.02895	8.9
97.06562	6.4
99.04484	19.0
99.08074	4.6
100.11259	16.8
103.05480	5.9
105.07019	13.3
106.04183	3.2
107.04969	31.1
107.08627	16.2
109.06529	13.1
109.10136	10.7
111.04427	5.4
111.08090	10.0
115.05465	6.9
116.06267	5.3
117.07066	7.3
119.04890	3.8
119.08575	10.0
120.65464	3.0
121.06521	5.7
121.10155	12.1
122.03632	10.4
123.04430	5.1
123.08095	4.9
124.05203	3.8
125.06013	4.1
129.07031	21.1
131.04927	9.4
131.08571	18.1
133.02882	5.8
133.10147	12.6
135.08099	4.5
137.05998	100.0
137.09605	7.6
141.07010	8.0
144.05663	7.9
145.06491	7.3
145.10107	6.1
146.07257	3.9
147.04333	4.1
147.11633	5.9
149.09650	47.6
151.03929	5.4
151.07550	8.5
151.11185	5.2
153.09146	29.5
156.05708	20.3
157.06493	10.3
157.10182	4.3
158.07260	3.8
159.08110	21.3
160.05237	4.4
161.06047	4.9
163.07585	5.3
167.07059	69.1
172.05348	3.7
173.05933	4.7
173.13274	7.0
174.06779	9.1
175.07596	19.7
177.05452	10.3
178.07826	5.8
179.07108	6.0
181.06662	3.5
182.15404	7.2
184.05199	5.9
186.06732	7.2
187.07558	23.4
189.07133	4.0
189.09119	10.9
190.07771	6.6
191.07101	5.8
191.14339	18.7
194.07321	4.2
202.06279	12.7
203.08488	10.6
205.06625	5.7
205.08621	4.6
206.07295	6.8
207.08125	8.0
209.08012	4.7
209.15352	29.2
210.14888	7.1
211.07623	5.2
215.08702	6.6
217.08624	80.5
218.07292	13.5
219.08121	7.5
219.10068	4.3
221.09648	7.4
223.07532	5.5
226.06268	6.2
231.08054	9.4
232.09023	5.9
233.09671	16.8
233.15486	3.8
234.06744	12.6
235.07549	14.4
236.08119	4.6
239.07097	21.9
241.08684	21.2
243.08255	5.2
246.06834	6.3
247.07503	9.1
247.09697	24.2
248.08293	4.0
249.09171	29.0
251.07065	8.8
252.07808	11.3
260.08392	8.3
261.09134	29.2
262.10022	4.2
263.07169	19.6
263.10455	3.8
264.07739	4.6
265.08585	9.8
266.09427	8.6
267.10120	4.8
269.08170	10.5
271.06091	9.0
276.07657	4.1
277.08591	23.9
278.06351	4.6
278.09274	18.4
279.06622	4.4
279.10028	7.9
280.07278	6.6
281.11725	11.5
285.07593	45.0
286.08112	5.1
289.08569	9.5
290.09351	4.3
291.10165	8.1
293.08475	6.2
293.11566	23.3
294.08795	6.1
295.09607	5.5
300.09949	55.3
301.10690	19.9
306.08896	10.8
307.09540	13.1
309.11191	28.0
311.12802	6.8
313.10568	9.4
321.11209	41.3
323.09174	10.9
325.10770	6.0
326.11414	19.8
327.12286	4.4
333.76553	3.9
338.11234	10.6
339.12216	26.9
341.13852	12.6
343.30792	4.0
353.09842	5.3
353.13873	69.3
362.27261	4.8
371.14905	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	371.1493
Annotation	Spiraformin B
Peak:m/z	Relative Intensity
53.03938	1.9
53.93501	0.9
55.01873	2.5
55.05506	3.8
57.03428	1.9
57.07057	2.0
61.54287	1.2
67.05505	10.6
68.51908	0.9
69.03426	4.4
69.07059	3.2
70.52785	1.0
71.04990	3.9
71.08627	1.2
71.51902	1.3
79.05499	8.9
81.03414	2.1
81.07063	16.1
83.04999	5.1
85.02892	4.3
85.06541	6.9
87.00838	1.7
91.05482	9.5
93.07047	9.6
95.04951	5.0
95.08607	12.8
97.02900	1.4
97.06535	2.7
103.05451	1.9
105.07036	6.2
107.04957	6.9
107.08594	8.0
109.06524	9.3
109.10160	6.2
111.08080	4.2
115.05447	2.6
117.06995	1.5
119.04930	2.4
119.08566	4.9
121.06504	3.0
121.10147	9.2
122.03656	2.2
123.04454	1.1
123.08119	2.4
123.11742	2.5
125.09646	3.3
128.06244	1.8
129.05507	1.3
129.07001	3.6
131.04935	3.9
131.08568	5.3
133.06552	1.3
133.10126	7.2
135.08055	2.1
135.11693	3.3
137.06000	13.8
137.09633	1.8
139.07498	1.3
141.07037	1.8
141.09042	1.6
144.05719	2.0
144.08115	7.1
145.06497	2.9
145.10074	2.1
147.04425	2.1
147.07997	1.4
147.11685	5.1
149.05954	1.9
149.09631	4.1
149.13194	1.4
151.03902	2.4
151.07550	1.9
151.11096	1.7
153.07031	1.2
153.09184	1.9
156.05701	2.6
157.06461	2.3
157.10074	2.4
159.04376	1.0
159.06436	0.9
159.08000	3.4
159.11691	2.2
161.06017	1.9
161.09698	2.1
161.13307	2.3
161.61693	1.0
163.11191	1.6
165.07008	2.8
166.07819	1.7
167.07053	16.8
167.08455	2.1
167.14227	1.2
169.06592	1.4
172.05132	1.2
173.09564	1.1
173.13319	2.6
174.06749	1.6
175.07559	4.7
175.11154	1.8
177.05508	3.5
177.06895	1.6
177.09120	1.1
178.07878	3.2
179.08620	2.4
179.10680	1.2
181.05026	1.9
181.06523	2.8
184.05226	1.4
187.07594	4.4
189.07066	1.1
189.09148	1.9
189.16365	1.3
190.07849	2.1
191.07056	2.2
191.08609	1.6
191.14307	6.8
193.06479	2.2
194.07265	3.2
195.08122	2.0
197.06192	1.2
199.07559	1.3
201.95891	1.2
202.06218	1.5
202.07886	1.5
203.08665	2.2
203.10715	1.5
203.17966	3.7
205.06509	2.9
205.10164	1.3
206.07237	4.3
207.08083	4.9
207.13841	1.3
208.08852	1.7
209.06065	2.3
209.07928	1.3
209.09758	1.3
209.15359	4.6
211.07632	1.9
213.16318	1.2
215.08685	2.3
217.08632	10.7
218.07248	3.7
219.08102	4.3
220.08952	1.0
221.06006	3.3
221.09680	3.0
221.19121	1.4
222.06755	5.7
223.07503	3.7
223.86914	1.3
224.08324	3.4
225.09036	1.5
231.08121	2.8
232.08974	2.1
233.06087	2.0
233.09616	4.1
234.06752	6.9
234.10388	1.0
235.07567	7.5
236.08246	5.7
237.05498	2.9
237.09094	3.5
238.06157	1.2
239.06995	2.3
239.20113	2.6
240.07780	1.8
241.08620	3.1
246.06873	1.3
247.07466	3.9
247.09715	3.7
248.08400	2.5
249.05396	2.4
249.06613	1.2
249.09167	15.2
249.18398	1.2
250.06287	4.5
250.09822	4.2
251.07080	6.4
251.10718	1.1
252.07840	13.2
253.08597	2.8
260.08472	1.8
261.09079	5.3
263.07059	4.0
264.07889	6.0
265.05310	2.1
265.08591	18.6
266.09369	10.4
267.06757	1.2
267.10019	2.0
269.08075	2.2
271.05905	1.1
275.06830	1.1
277.08649	7.9
278.09338	3.9
279.06641	2.5
279.09824	1.7
280.07358	11.8
280.10648	1.8
281.08102	6.4
281.11282	1.4
285.07602	4.8
289.08524	1.3
290.09271	1.4
291.10031	1.6
292.07465	1.2
292.10837	1.4
293.08044	3.9
293.11716	14.3
294.08899	2.6
295.06647	0.9
295.09628	5.8
296.10449	9.9
300.09967	5.9
301.11023	1.4
307.09607	2.3
309.11188	7.2
311.09467	1.9
311.12729	8.9
313.10492	2.1
317.38257	1.1
321.11182	11.7
323.09442	1.7
324.09879	1.9
325.10690	2.8
326.11475	2.5
338.11554	1.7
339.12302	100.0
340.13019	6.2
341.13812	3.0
353.13834	8.2
356.11819	1.2
371.14981	41.1
371.20258	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	371.0462
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57792	1.0
55.01875	1.4
56.96574	7.6
57.03197	1.5
57.03441	18.9
58.99847	1.5
59.04989	1.9
61.02925	2.1
67.53813	1.1
68.98288	4.5
69.03429	8.4
70.99884	1.4
71.01360	9.4
71.04974	1.8
71.51399	1.8
72.08149	1.5
73.02901	3.6
73.04787	1.3
74.99439	1.2
81.03417	2.6
83.05016	1.2
84.08138	2.3
84.96043	5.6
85.01389	1.6
85.02911	13.4
86.09648	1.4
86.99316	4.1
87.04456	1.6
91.05792	1.1
94.99846	4.7
97.01411	6.3
97.02891	11.7
97.96832	1.4
98.03265	1.2
98.97594	25.5
101.00883	14.3
102.96921	1.5
103.02457	1.5
105.00375	1.8
107.04980	1.5
110.97579	11.3
112.99152	2.1
113.00876	69.3
113.02419	2.4
114.00994	3.1
115.02442	17.2
116.98622	5.6
119.01920	18.7
122.06029	1.2
124.99057	1.6
125.00880	1.6
127.02448	7.6
127.03881	2.4
128.98643	7.1
129.00311	1.5
129.01797	2.0
131.01915	100.0
132.01965	2.7
133.03479	8.0
134.99667	1.6
139.02353	1.4
140.98639	1.9
141.00336	11.9
141.01433	1.3
141.01793	1.3
142.08475	1.3
143.00166	2.2
143.01926	19.0
145.03468	23.5
145.04948	3.4
146.99593	2.4
147.01358	4.8
149.01082	1.3
149.02953	3.4
149.05992	1.6
150.05508	18.5
151.02405	4.4
152.98631	2.5
153.00359	4.0
155.01907	5.1
156.98135	1.6
157.03479	5.5
159.01402	93.3
160.01555	3.3
161.01634	1.8
161.02975	15.5
167.01904	3.9
167.06955	1.4
168.98128	1.2
168.99840	2.1
169.03482	26.4
170.03494	2.0
170.99794	2.3
171.01381	16.3
171.05038	1.5
172.94333	3.2
173.01610	1.4
173.02982	5.9
173.04393	1.3
174.99159	1.7
175.04446	1.6
177.00761	2.9
177.02438	12.5
179.01930	8.1
180.99893	1.6
181.03482	3.1
183.01317	2.6
185.02869	7.7
187.00900	5.4
189.00673	3.2
189.02422	6.1
190.95322	2.9
192.04672	7.6
192.54857	6.0
193.04498	2.2
195.01396	4.2
197.02962	55.7
198.03084	1.6
199.00879	5.1
199.04453	2.2
201.00780	1.7
201.02368	6.4
201.05219	1.6
202.04822	1.5
203.03954	1.7
205.01889	1.6
207.01416	4.5
209.02982	2.2
209.09329	5.4
211.00842	3.1
213.02501	14.0
215.00459	6.0
215.04034	4.3
215.32545	1.1
217.02010	1.7
219.01826	7.5
225.02466	17.2
229.01990	2.2
231.03500	4.2
237.02812	10.9
239.04491	1.8
241.01877	5.0
242.06262	1.2
242.99829	4.2
243.03471	8.3
245.01433	3.7
248.04430	1.6
253.01920	4.3
257.05283	1.5
259.02982	5.9
261.00925	1.4
263.02316	2.7
271.02942	14.9
272.05020	2.4
277.04056	3.1
281.01501	2.2
283.02750	1.3
289.04169	1.8
299.02512	25.3
301.04056	3.3
311.02463	6.0
311.05765	1.4
317.03564	19.9
319.05035	2.8
321.01657	3.3
329.03500	56.3
330.03717	2.1
347.04581	22.6
348.05048	1.4
371.04828	6.0
371.14499	2.0
389.05865	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	370.3318
Annotation	Aplidiasphingosine
Peak:m/z	Relative Intensity
51.80160	3.2
53.73859	4.0
55.05516	28.3
56.05035	6.1
57.06825	4.8
57.07084	48.5
60.04519	3.3
62.06084	4.3
67.05510	20.1
67.05794	3.4
68.09182	3.5
69.07075	57.6
70.06596	4.7
70.91841	9.6
71.08634	37.8
73.04788	4.2
74.02444	38.7
79.05488	6.4
81.07066	34.3
82.06593	5.5
83.08630	49.8
84.04504	24.9
84.08153	15.9
84.08921	4.4
85.10193	22.4
91.05861	4.4
93.07056	10.8
95.08609	40.1
96.08104	7.1
97.10175	37.3
102.05573	6.2
105.07030	8.5
107.08612	12.7
109.10165	22.7
110.09684	9.3
111.11719	29.1
119.08611	4.9
121.10173	11.0
123.11720	10.0
125.13289	15.6
132.63075	3.6
135.11629	5.0
137.13248	5.8
152.14331	5.7
163.14883	6.0
168.54019	3.6
176.27191	3.6
224.02075	3.4
282.31549	8.9
292.29996	8.9
305.28235	3.9
306.31497	58.1
323.29465	6.8
324.32635	11.8
334.31052	7.1
335.29614	3.7
340.32101	4.9
352.32117	100.0
370.33151	93.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.1686
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.2
55.01867	2.9
55.05497	2.3
57.07053	2.5
58.99593	18.9
67.05495	8.0
69.03422	6.0
69.07076	12.6
69.57466	8.5
69.57883	3.3
70.04415	1.6
70.06595	4.9
73.01155	16.5
79.05488	8.0
80.05030	1.7
81.07068	18.0
82.06570	4.2
83.04986	4.2
84.08148	6.9
86.00156	2.2
86.00661	36.9
86.99054	8.1
88.03985	7.5
91.05484	7.2
93.07053	7.8
94.06581	4.0
95.04967	6.2
95.08637	9.6
96.04492	1.9
97.01157	2.2
97.06537	6.9
99.02710	8.2
100.02203	9.7
105.00095	7.8
105.07068	8.3
107.04954	2.0
107.08616	10.9
108.04473	7.9
109.06534	8.1
109.10159	6.4
110.06042	8.8
111.02684	2.3
111.04435	5.0
112.02153	2.3
119.08601	6.1
121.06503	2.4
121.10143	9.8
122.02715	3.7
123.08078	12.1
123.11728	23.2
124.07600	2.6
125.09665	4.2
126.03769	2.1
127.02117	2.3
132.01169	70.7
133.01498	2.5
133.06555	2.4
133.10170	4.2
135.08075	6.0
136.06241	4.3
137.09665	16.5
138.03738	37.9
139.11182	5.1
142.06909	1.9
143.08574	4.7
144.14153	1.8
145.03203	11.3
145.10124	3.0
146.02679	13.9
147.04410	3.4
147.08073	3.6
148.06201	4.3
148.07544	2.1
150.09142	8.3
151.07567	6.3
161.08385	4.3
161.09645	4.5
163.07538	3.4
166.03247	36.2
168.04756	3.0
173.13271	2.4
174.09148	2.2
175.07533	3.8
184.04303	68.7
185.13316	2.4
186.05872	4.4
188.07399	10.0
196.04445	2.6
203.14372	4.1
212.03783	95.2
213.12846	4.0
214.05435	1.8
230.04822	10.0
230.15517	3.1
231.13785	11.6
238.13031	14.0
248.16473	3.1
249.14899	3.7
254.08513	3.3
267.85907	2.3
270.11612	3.6
272.09561	6.4
319.94345	1.7
330.26025	2.0
334.14853	10.4
352.15805	17.6
370.16891	100.0
371.17346	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	370.1685
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	3.9
57.03419	2.1
57.07061	2.3
58.99585	15.1
59.16293	1.6
67.05508	9.9
69.03421	6.7
69.07073	12.1
69.46757	14.1
70.05061	1.8
70.06601	4.0
71.04982	1.9
72.08157	1.6
73.01149	15.1
79.05495	8.9
81.03415	3.8
81.07066	21.1
82.06575	2.5
82.73216	1.5
83.04968	4.8
84.08141	7.5
84.61846	1.6
85.02895	4.8
85.06538	3.7
86.00663	38.6
86.99080	8.2
88.03996	4.5
90.76775	1.6
91.05476	7.1
91.49298	1.6
91.57596	1.7
93.07039	5.2
94.06574	2.8
95.04994	4.9
95.08607	10.6
95.59442	1.6
97.06527	6.0
98.06086	2.3
98.48453	1.7
98.98875	1.7
99.02689	4.9
100.02203	16.0
100.12215	1.7
100.41428	1.8
105.00082	8.8
105.07035	10.7
107.08599	7.9
108.04495	6.8
108.08118	2.0
109.06540	10.3
109.10170	3.8
110.06042	10.3
111.04433	4.8
112.02217	4.5
115.18611	1.7
117.07001	2.2
119.08556	6.2
121.06532	4.4
121.10130	5.7
123.04431	2.7
123.08082	12.0
123.11719	21.2
124.07598	4.2
125.09612	4.8
126.03742	2.0
127.02154	2.5
131.08604	2.5
132.00159	3.9
132.01157	70.1
132.08118	2.1
133.10139	3.9
135.08058	4.4
136.06180	15.2
136.07155	1.8
136.07623	2.3
137.07932	1.9
137.09648	15.0
138.03734	34.3
139.11237	3.9
145.03168	9.6
145.10100	2.3
146.02731	15.7
147.04425	2.3
147.08046	2.7
148.06306	3.5
148.07509	2.6
149.08388	2.8
149.09610	3.6
150.09152	9.1
151.07573	8.2
151.11194	3.1
160.07623	2.3
161.09657	3.1
162.09320	2.0
165.07344	2.3
166.03242	38.6
166.08571	2.7
168.04651	2.3
172.04256	2.6
173.09637	2.2
174.05931	3.8
174.09192	3.0
184.04289	72.6
186.05870	2.5
188.07407	8.2
189.09067	2.6
190.10867	6.5
195.11766	2.4
202.10896	4.5
203.14362	2.4
204.06654	3.0
208.09755	2.1
212.03770	89.9
213.04031	3.0
213.12778	3.4
214.05339	3.1
220.11987	6.1
230.04887	6.3
230.15413	2.5
231.13753	10.8
238.13029	33.1
248.16399	2.0
249.14769	3.1
270.11523	2.8
272.09607	4.9
281.77652	2.2
324.16208	2.5
331.66263	1.9
334.14767	10.0
352.15894	20.4
364.18454	2.1
370.16876	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.4
55.01868	6.2
55.05507	3.0
56.96566	6.0
57.03439	16.6
59.05008	38.0
59.92020	1.6
60.86448	1.6
61.02921	3.2
67.05500	2.2
67.40613	1.5
69.03433	20.8
69.83595	3.2
69.83978	4.3
71.01363	12.0
71.04998	11.1
72.04523	2.3
73.02902	7.4
75.04465	1.6
81.03419	5.2
83.01336	6.3
84.96045	3.5
85.02913	60.8
87.04481	8.1
95.01321	4.8
95.04985	4.4
97.02893	24.6
98.97595	17.6
99.00813	2.3
99.04454	15.8
101.02372	6.3
101.06046	2.6
101.48250	1.9
103.03955	5.9
107.04949	2.1
109.02881	3.6
110.97578	4.1
111.04449	7.9
113.02374	18.6
115.03938	5.2
116.98605	3.8
120.02632	1.7
123.00789	2.1
123.04391	3.3
125.02365	3.6
127.03944	13.7
128.98586	3.3
129.01831	3.2
129.05463	4.6
130.05032	3.9
131.00206	1.7
131.01927	2.1
131.03391	9.4
137.02382	2.4
139.03894	5.8
141.01855	16.6
143.01755	2.3
143.03438	2.7
144.33794	1.8
145.04974	100.0
151.03905	2.7
153.01849	3.2
155.03400	6.3
157.04906	1.9
158.99690	3.8
159.02905	9.5
162.99107	1.9
167.03029	1.8
169.04945	2.1
170.99649	2.8
173.04459	23.1
177.00751	2.7
185.04457	3.3
191.03941	2.7
191.05455	10.0
192.04724	4.9
192.54909	3.1
197.04559	2.8
201.00688	2.3
201.03876	8.0
219.01825	5.4
225.03957	2.6
237.02867	2.6
237.08118	2.8
237.58244	6.0
243.04977	5.2
257.06546	3.4
271.04514	40.0
285.05948	4.0
303.07169	5.3
320.09869	2.2
338.10870	2.3
370.13614	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	0.5
70.06575	0.6
71.01350	0.8
79.67023	0.5
85.52859	0.5
86.09683	0.6
89.20313	0.5
90.08601	0.5
100.11242	0.5
128.04948	0.7
155.06036	15.1
156.04459	4.7
167.06004	1.0
183.05562	24.7
185.07109	0.9
185.50563	0.5
195.05540	1.3
198.14972	0.6
211.05031	4.1
229.06102	100.0
230.06444	1.2
252.07643	0.6
257.05597	51.1
290.26895	0.6
324.13443	45.7
325.13666	0.7
352.12833	1.6
370.14020	19.4
370.18884	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.135
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	5.3
55.01883	9.3
55.05508	5.5
56.96568	21.6
57.03447	36.1
59.05011	40.8
61.02937	10.4
67.27569	2.5
69.03439	45.7
69.16302	26.6
71.01366	30.7
71.05007	17.3
72.04517	4.7
72.08167	3.5
73.02911	18.0
75.04506	3.5
79.05523	3.3
81.03427	9.1
83.01345	7.0
83.05000	6.4
84.96043	6.9
85.02919	100.0
87.00824	3.0
87.04469	19.7
95.01341	11.1
95.04960	3.5
97.02914	51.6
98.03262	3.0
98.21507	6.6
98.97594	62.6
99.00830	6.8
99.04487	23.7
101.02375	7.9
101.06039	3.9
103.03979	8.1
107.04948	5.2
109.02933	6.8
110.97572	20.2
111.02071	2.9
111.04459	10.4
112.99164	5.1
113.00883	5.1
113.02371	29.8
115.02370	3.5
115.03958	6.4
116.98653	12.6
119.01842	6.8
119.04952	6.3
120.02603	3.0
121.02883	2.8
124.99165	4.0
125.02370	6.0
126.97094	3.1
127.03952	24.8
128.98637	12.4
129.01868	11.3
129.03127	5.6
129.05511	6.0
130.05032	5.4
131.01901	6.8
131.03410	20.8
133.10309	3.0
134.99635	4.3
137.02364	3.4
137.06006	7.7
139.03940	6.1
141.01859	30.6
143.00140	6.4
143.01936	5.3
145.04988	98.5
146.99686	2.8
147.04417	5.5
150.05533	6.0
153.05624	3.1
155.03409	8.6
155.04611	6.2
156.98215	3.6
157.05003	3.3
158.99721	10.1
159.01457	8.0
159.02942	16.9
161.01262	5.8
161.02882	2.9
164.05205	3.5
167.03174	2.7
168.98163	3.7
169.03542	3.6
170.99718	6.2
173.02960	5.0
173.04483	51.5
174.99121	4.0
177.00781	6.8
179.02266	5.3
184.04362	3.0
184.55832	3.4
184.97678	4.5
185.04498	3.6
186.99187	3.3
191.05513	32.0
192.04700	76.8
192.06403	5.3
192.54924	8.7
197.02963	3.3
201.00710	4.3
201.03749	3.5
201.05382	7.6
208.04826	4.7
213.04056	3.9
219.01775	6.9
221.03342	4.0
225.04152	4.1
237.02914	7.5
237.08109	10.1
237.58253	11.0
239.04427	11.2
243.05045	14.1
256.05139	3.6
257.06320	3.4
271.04538	56.8
291.07370	3.9
299.02847	2.8
303.07205	8.1
309.08496	8.1
320.09769	7.7
336.07330	5.0
338.10880	6.0
345.01376	3.1
355.37698	3.0
383.08942	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	369.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.4
55.01863	0.6
55.05516	3.5
56.35394	0.2
57.03425	1.1
57.07066	0.3
59.72415	0.3
65.03912	0.3
67.05514	1.6
69.03434	18.5
69.07072	1.7
71.01331	0.3
71.04992	0.5
73.02899	0.3
77.80119	0.3
79.05497	1.4
81.03410	0.4
81.07064	2.1
83.04984	3.1
83.08633	0.5
85.02926	1.5
85.06545	1.0
87.04462	0.4
91.05501	2.2
93.07064	2.0
95.04960	1.2
95.08629	1.8
96.04530	0.3
97.02911	0.3
97.06534	0.6
97.10173	3.6
99.00800	0.7
99.04443	0.4
101.06026	0.4
105.03439	0.3
105.07035	2.1
107.04966	0.8
107.08608	3.0
109.06516	1.1
109.10156	1.1
111.04441	0.7
111.08084	3.2
113.02390	0.6
115.05463	0.4
117.07019	0.4
119.08595	1.2
121.06482	0.3
121.10182	0.8
123.08046	0.4
125.06007	0.5
125.09641	1.4
129.07053	0.3
131.08536	0.4
133.06493	0.3
133.10120	0.7
135.08092	1.1
135.11662	0.4
137.02383	0.3
137.06001	1.1
137.09608	0.8
139.11194	0.3
143.08664	0.4
143.10684	0.9
145.10121	0.8
147.11638	0.3
149.09618	0.8
149.13365	0.3
151.07579	0.3
151.11153	0.5
153.09117	100.0
154.09464	1.2
157.10150	0.5
159.11703	0.6
161.09639	0.4
161.13283	0.4
163.03870	0.3
163.11182	0.7
165.09132	0.3
175.11211	1.0
175.14813	0.3
179.10643	0.3
181.12302	1.3
189.12756	0.3
193.12122	0.3
203.14314	0.4
207.13861	0.3
208.05324	0.4
209.13104	0.3
219.08113	0.5
228.46376	0.3
233.15910	0.3
247.07565	0.4
249.09062	0.6
265.08673	0.3
276.07941	0.3
279.06900	0.3
305.21182	0.3
307.09717	0.4
309.11044	0.5
315.08667	0.6
315.19556	0.4
333.20554	0.8
333.93124	0.3
337.10660	1.5
351.21655	1.9
356.09293	0.3
369.13458	1.6
369.23431	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2276
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.9
55.01863	4.9
55.05518	8.1
57.03432	3.6
57.07055	1.4
58.65495	0.9
67.05511	8.4
69.07066	5.2
70.69024	1.3
70.69335	1.2
79.05499	9.7
81.07063	30.8
83.04986	4.8
83.08621	4.0
85.02926	1.9
85.06561	1.2
91.05494	6.8
93.07050	6.7
95.04958	3.4
95.08620	8.4
97.06517	2.4
103.05455	1.0
105.03405	15.7
105.07027	6.9
107.08604	7.1
109.06535	13.4
109.10156	3.8
111.03718	1.3
111.04454	17.4
111.08104	1.1
113.02387	0.9
117.07037	1.0
119.08615	7.5
121.06519	1.2
121.10176	6.1
123.08076	2.6
123.11694	2.6
124.87447	0.9
125.05994	6.5
129.52132	1.0
131.08560	6.0
133.10161	7.2
135.08043	4.6
135.11699	3.9
137.05989	100.0
137.13286	2.1
138.06310	1.7
142.07780	1.2
143.08557	3.3
145.06520	1.0
145.10094	3.0
147.08055	3.0
147.11684	7.0
149.09587	5.9
149.13220	1.1
151.07561	4.2
151.11189	0.8
153.09006	1.4
157.10109	2.5
159.08069	1.2
159.11707	2.8
161.09625	7.9
161.13248	2.2
163.11232	4.0
165.09129	3.0
165.12842	1.3
169.10135	1.2
171.11699	1.7
173.09639	1.2
173.13264	2.5
175.11194	4.3
175.14810	2.1
177.12787	1.3
179.10786	2.2
181.12198	1.6
183.11726	1.6
185.13380	1.2
189.09074	0.9
189.12741	1.7
193.12138	1.4
197.12946	0.9
201.12770	4.3
203.17967	7.4
205.19533	1.2
213.16422	2.9
221.19025	2.4
229.06041	1.7
229.12334	3.1
231.17488	10.8
241.15871	2.4
247.13115	1.3
247.30988	1.0
249.18513	14.1
277.18015	65.3
278.18420	1.7
295.19058	10.2
324.13394	1.1
337.10648	1.7
351.21680	7.3
369.13550	1.6
369.23083	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	369.1909
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	10.6
55.05512	22.8
57.03424	19.0
61.02905	6.0
67.05508	35.1
69.03448	52.6
69.07065	15.8
70.06557	6.5
71.05003	7.5
71.35202	10.2
72.16754	4.8
73.02906	7.1
75.15466	4.6
79.05510	36.1
80.22651	4.6
81.03433	15.6
81.07064	43.5
82.86557	5.4
83.04980	17.1
83.08604	8.0
83.47854	6.1
85.02911	48.5
85.06554	8.3
85.14186	4.9
91.05478	39.3
93.07078	33.7
95.04963	25.0
95.08609	39.5
97.02918	16.7
97.06538	8.8
98.08207	6.5
99.00845	11.1
99.04440	8.9
101.02414	9.4
105.07031	55.6
107.04939	7.1
107.08614	38.0
109.02898	6.5
109.06524	13.4
109.10136	19.7
111.08057	12.1
113.88410	5.3
117.07005	10.6
119.04997	6.1
119.08582	39.0
120.08110	11.3
121.06541	17.7
121.10163	23.1
123.04366	5.9
123.08070	22.8
123.11727	6.6
125.06032	8.3
125.09644	10.4
127.03949	8.7
127.07505	7.1
129.06999	6.2
131.08562	17.2
133.06485	48.7
133.10143	21.1
135.08061	11.4
135.11681	14.3
137.02367	13.3
137.05960	16.0
137.09659	19.5
140.05939	5.2
145.10172	34.1
147.08101	14.7
147.11731	34.7
149.09605	13.3
149.13290	7.6
151.07547	25.5
153.09097	14.8
156.09300	8.2
157.10095	8.8
159.08064	12.7
159.11707	23.1
161.09641	7.3
161.13260	15.0
163.11163	18.5
167.10777	6.1
171.11719	8.9
173.09596	8.4
173.13304	9.3
174.10391	27.7
175.07523	6.2
175.14764	6.0
177.12691	5.9
187.11205	19.3
189.12730	81.3
191.14343	17.5
200.12035	8.2
201.16432	6.3
207.06586	10.9
207.13818	100.0
215.10622	11.4
231.13869	12.0
233.11681	8.1
243.13823	10.7
275.06848	7.3
277.08636	8.6
305.07983	6.0
309.11087	6.4
315.08395	7.2
337.10608	28.0
339.11996	7.7
341.06598	15.3
369.06030	37.0
369.13596	17.8
369.19019	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	369.155
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	5.5
55.01876	8.3
55.05518	12.7
55.84106	3.0
57.03439	10.6
65.03960	3.8
65.85046	2.9
67.05514	22.6
69.03426	11.2
69.07081	8.6
69.95589	13.9
71.05033	3.3
78.59667	3.0
79.05510	23.6
81.03445	4.4
81.07069	23.3
83.04538	3.8
83.04999	12.7
85.02909	8.9
85.06581	3.7
87.00815	3.5
91.05489	32.8
92.01551	3.3
93.03397	2.8
93.07053	30.5
95.04991	8.7
95.08632	20.0
97.02901	4.6
97.06545	7.5
98.20815	4.7
99.00826	5.6
103.05482	5.2
105.07051	31.2
107.04987	10.5
107.08618	64.9
108.09372	7.8
109.02941	3.5
109.06540	8.5
109.10154	8.7
111.04434	4.0
111.08115	8.4
115.05487	6.4
117.07030	13.9
119.04950	4.3
119.08588	23.7
121.06538	15.4
121.10188	19.0
123.04438	3.5
123.08107	26.8
125.02394	2.9
125.09640	50.5
127.03962	4.8
129.07031	6.0
131.08601	15.0
133.06503	6.2
133.10164	17.9
135.08096	19.9
137.06010	8.1
137.09627	9.0
139.07483	3.5
141.05446	6.0
143.08598	6.3
145.06490	4.7
145.10179	18.7
147.08047	5.9
147.11714	8.8
149.09674	5.6
151.11143	3.2
153.05496	4.2
157.06538	3.7
157.10193	8.3
159.08110	6.2
159.11736	13.0
161.09633	7.6
161.13332	5.8
163.07562	6.8
163.11255	3.8
163.14871	3.8
167.07108	3.8
169.10150	3.1
171.11707	3.7
173.09697	7.2
173.13293	13.0
175.11221	4.3
177.05513	3.5
179.10738	5.7
181.08626	100.0
181.10222	6.2
183.11636	5.7
187.11226	6.6
189.12827	4.6
191.06902	3.2
191.10751	9.4
193.08684	3.9
195.08565	3.4
195.10161	19.2
199.07510	4.1
199.11200	7.5
201.12799	8.6
202.07858	4.7
203.14363	4.1
207.06444	5.9
218.07329	3.6
219.13805	14.2
229.12236	14.4
234.06845	3.7
235.07590	6.0
237.14822	9.2
247.13326	81.9
248.08441	4.9
265.14389	79.5
277.08563	3.4
291.10208	4.5
293.08289	3.6
337.10657	12.3
341.13928	4.2
369.06003	5.0
369.13171	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	369.1158
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85070	0.5
53.14013	0.6
55.01856	0.6
57.03450	0.7
59.04995	0.9
67.05494	0.7
69.03415	1.9
70.06580	1.0
71.04977	0.9
71.23523	1.0
72.93787	1.1
73.02924	0.9
79.05496	0.7
81.03418	0.7
83.04993	0.6
83.60724	0.5
85.02920	3.1
85.06547	0.6
91.05493	0.9
93.07035	0.6
97.02880	2.1
98.97606	0.7
99.04494	0.8
105.07057	0.7
107.04952	1.7
109.02962	0.6
110.06055	1.0
111.04457	0.6
111.72132	0.6
113.02397	1.2
119.04896	0.7
122.39397	0.7
127.03877	0.7
129.05515	0.8
135.04390	0.8
137.05998	1.0
139.03914	0.8
145.04956	1.5
158.97475	0.6
163.03943	1.4
164.07043	0.8
167.07080	1.7
171.13805	0.8
178.75949	0.5
185.04225	3.2
189.12689	1.0
206.05548	3.8
207.06288	10.4
207.13780	0.8
208.06085	0.6
234.98965	1.1
302.05884	2.1
339.10568	0.6
369.11603	100.0
370.11948	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1153
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.8
55.93543	0.6
56.94294	0.5
57.03434	0.8
61.02900	0.6
69.03426	1.4
71.02647	1.1
71.03008	0.7
71.04993	2.3
72.08144	0.5
72.93780	1.0
73.02896	0.6
78.01839	0.5
79.05518	0.6
81.03416	1.0
81.07056	0.8
83.04954	0.7
85.02895	2.3
85.06551	0.6
87.00816	0.7
91.05479	0.6
95.01342	1.1
95.04965	0.8
97.02885	2.0
98.97597	1.0
99.04482	0.6
105.07034	0.8
107.04958	2.0
107.08561	0.6
109.02939	0.5
109.06523	0.6
113.02361	0.9
115.03958	0.6
115.05505	0.5
122.94524	0.5
127.03900	1.4
129.01872	0.8
132.95793	0.8
133.06483	0.6
136.07526	0.7
137.06000	1.3
137.31203	0.5
139.03883	0.9
140.04163	0.6
145.04967	1.3
146.05241	0.6
153.12781	0.5
158.97420	1.2
163.03906	0.9
164.07193	0.6
167.07080	1.6
171.06551	0.8
175.07489	0.6
185.04204	3.7
194.97374	0.9
206.05577	5.4
207.06297	10.4
207.15895	0.8
216.97968	0.8
234.99011	2.2
266.99597	0.7
270.19760	0.5
302.05948	3.4
335.10025	0.7
349.58713	0.5
369.11581	100.0
370.11993	2.1
390.72217	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41537	2.6
53.03934	4.6
55.01877	4.1
55.05523	17.2
56.05050	4.9
56.96568	2.6
57.03439	6.6
57.07076	3.0
58.06601	4.9
58.98803	2.3
60.04268	2.4
60.04533	24.8
65.03938	2.8
67.05514	23.9
69.03429	4.5
69.07082	16.6
70.06603	4.7
71.05016	11.9
71.51509	3.8
71.51889	2.9
72.04501	3.2
77.77055	2.7
79.05504	21.9
81.03433	3.8
81.07077	19.9
82.06584	2.7
83.08632	12.1
84.08141	10.0
85.06561	5.8
86.09724	40.7
88.07610	3.8
91.05499	19.4
93.07057	18.9
94.06597	4.1
95.04961	8.3
95.08611	14.4
96.08161	2.6
97.06525	6.8
97.10183	16.9
99.00815	9.1
105.07030	11.3
106.06520	2.6
106.62624	2.3
107.04979	6.3
107.08596	11.6
109.06517	7.6
109.10144	14.7
110.06054	2.5
110.09677	2.4
111.08082	3.1
112.07607	27.1
117.07037	3.0
119.08610	8.7
121.06510	2.6
121.10123	7.3
122.09681	5.9
125.09655	12.2
128.10753	31.6
129.07036	2.9
130.08652	4.3
131.08572	6.9
133.10149	6.8
135.08041	4.4
135.11722	4.9
137.09627	7.4
143.08607	3.4
145.10121	4.2
148.11208	3.0
149.09641	4.9
154.08643	6.7
154.12289	35.8
159.11739	5.6
161.09592	3.0
172.09744	14.9
172.13327	14.0
177.12657	3.9
180.13832	11.6
187.02405	5.6
187.11218	3.5
188.02667	3.6
189.11241	6.5
196.13509	14.7
196.14873	2.9
214.14488	5.5
217.15895	5.2
223.13300	3.9
273.18512	9.7
276.66708	2.5
290.21185	12.2
291.19589	16.8
308.22113	12.3
332.22150	3.6
350.23434	23.0
368.24335	100.0
369.24643	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	368.1532
Annotation	O-Methylsakambullin
Peak:m/z	Relative Intensity
50.22966	0.6
53.03938	0.6
55.01870	0.6
55.05502	1.6
57.03431	0.7
58.06589	0.5
58.99582	3.3
60.04522	0.7
67.05507	2.1
67.25725	0.5
69.03426	2.1
69.07075	1.7
70.06577	0.7
70.79008	1.3
71.05000	1.1
72.08138	0.6
72.96443	0.6
74.79369	0.5
77.08959	0.6
79.05487	1.9
81.07059	2.5
83.04993	1.1
84.05360	0.6
85.01109	0.9
85.02866	0.8
85.06534	0.7
85.57319	0.5
86.00646	1.2
86.09701	0.7
86.99053	0.9
88.03996	1.2
91.05477	2.2
91.08604	0.5
93.07039	1.1
94.06593	0.9
95.04960	1.1
95.08606	1.5
97.06522	1.3
98.21535	0.7
99.02694	1.5
100.02219	0.9
105.07028	2.1
107.04953	2.2
107.08599	1.9
109.06519	1.5
110.06046	1.7
111.06833	1.0
112.07613	0.7
115.07526	1.0
117.07030	0.9
119.08589	2.1
120.08106	0.8
121.06521	1.8
121.10169	1.2
123.08076	0.6
124.02232	0.6
124.07653	0.6
125.04201	0.7
125.09669	1.4
126.03767	0.7
128.06300	0.8
129.07022	0.7
131.08549	1.6
133.10127	1.2
134.06033	2.0
136.06203	3.7
136.07555	1.3
137.08356	0.9
137.99174	0.5
138.09175	1.5
139.03891	0.6
143.08588	1.2
144.08078	1.1
145.06531	0.8
145.08888	3.0
145.10037	0.8
146.02731	0.7
146.09676	2.9
147.08054	2.4
147.09128	0.8
148.06277	0.8
148.07588	1.8
148.09537	0.7
149.09698	0.6
152.05345	0.5
153.03687	0.9
157.10048	0.6
159.08078	1.3
160.07582	1.2
161.06056	0.7
161.08394	0.8
161.53487	0.6
162.09192	1.7
163.04507	1.5
166.06856	0.8
166.08641	1.0
168.04790	4.8
170.02702	3.5
170.06238	0.6
171.10201	1.2
173.13297	1.6
174.09106	0.9
175.07492	0.6
175.09776	1.2
177.03767	0.5
177.09207	0.6
178.05283	1.0
178.06879	15.4
180.04820	0.7
186.10442	0.7
188.07039	2.4
189.11278	0.8
194.06396	5.2
194.07994	1.0
201.12781	1.8
206.06332	1.1
206.08128	1.1
218.10365	4.5
219.13885	0.9
222.05852	2.1
228.13774	0.8
229.12251	1.0
230.11891	1.0
236.11446	10.3
240.06918	11.5
240.09167	1.0
241.09048	0.6
246.14822	0.7
252.06923	2.9
270.08151	0.6
282.15286	0.8
304.13718	1.1
340.75693	0.6
350.14301	1.7
368.15341	100.0
369.15723	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	368.1191
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	16.2
53.40010	2.7
57.03443	6.1
59.05009	3.0
61.02923	5.5
69.03431	20.9
70.63706	9.4
71.01371	14.3
71.04998	95.2
73.02916	9.1
75.04485	11.3
76.06666	2.9
81.03427	21.0
81.07055	3.2
85.02908	12.7
86.02446	3.5
87.00826	3.3
87.04510	3.3
91.05487	4.8
97.02901	100.0
99.04443	6.0
103.03951	11.7
107.05016	4.2
110.07158	3.1
113.02315	3.5
125.02336	3.3
127.03931	10.5
130.06477	3.7
131.03378	9.4
136.03316	2.7
140.23253	2.6
142.45981	3.0
145.04976	8.7
153.01822	4.4
155.03419	74.3
161.04445	12.8
171.10190	5.3
173.04504	4.3
175.06070	3.9
175.08774	3.4
189.03963	8.2
203.05673	3.8
204.06532	9.1
206.08015	4.2
301.05582	12.7
336.09341	3.3
360.56329	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	367.2846
Annotation	3beta-Acetoxy-8beta,15-dihydroxy-ent-labda-13E-ene
Peak:m/z	Relative Intensity
52.58314	1.1
53.03957	1.5
55.01862	1.4
55.05513	14.3
57.07090	6.3
59.19835	1.0
67.05506	14.7
67.85167	1.0
69.07075	21.9
70.00851	5.4
71.08634	13.9
72.08123	1.5
79.05501	7.5
81.07055	22.0
83.04989	2.8
83.08626	8.0
85.06541	3.2
91.05504	5.9
93.07043	11.3
95.08615	21.3
97.06533	2.5
97.10175	2.6
99.08102	13.2
105.07044	6.9
106.58140	1.1
107.08598	11.9
109.06514	6.4
109.10166	8.4
111.04473	1.6
111.08096	3.2
119.08604	7.3
121.06496	1.9
121.10168	7.6
122.07279	1.4
123.08069	27.9
123.11710	3.3
125.06007	2.8
125.09664	1.6
131.08600	2.4
133.10132	9.0
135.08051	4.3
135.11703	5.3
137.09608	1.9
137.13263	3.7
145.10127	3.8
147.11702	3.1
149.09654	3.6
149.13248	3.4
151.11232	2.3
151.14781	1.4
153.12782	3.8
159.11725	1.9
161.13158	1.4
163.11206	1.2
163.14763	1.2
165.12688	1.7
167.14336	1.4
173.13280	1.4
175.14746	1.8
177.12825	1.9
177.16414	1.6
179.14323	34.7
181.12259	2.1
189.16377	2.4
191.14331	2.1
193.15836	2.3
195.13838	2.0
223.20464	1.6
233.19064	1.9
251.20061	9.6
275.19989	1.2
293.21158	12.2
293.28302	5.2
303.26828	14.3
313.25266	1.5
321.27844	6.1
331.26324	41.0
341.36752	1.2
349.27377	100.0
350.27655	3.5
367.28464	4.7
367.34113	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2638
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	6.1
55.05524	27.2
57.07069	10.5
58.96183	4.0
65.03942	6.0
67.05516	46.2
67.80825	3.8
69.03426	9.3
69.07086	29.1
71.05005	9.7
79.05513	33.7
81.07066	67.3
83.04982	6.2
83.08628	10.6
85.06557	6.2
91.05497	62.3
93.07057	82.2
95.04980	39.0
95.08620	68.5
95.40134	3.8
97.06542	13.2
97.10234	4.8
105.06397	7.1
105.07048	100.0
107.08615	69.1
109.06536	13.2
109.10174	53.3
109.33339	4.1
111.08047	6.9
115.05464	9.3
116.06199	6.4
117.07036	19.5
119.08598	95.0
121.06513	13.1
121.10168	52.1
123.08064	6.1
123.11712	18.6
128.06236	8.2
129.07037	20.5
130.07791	11.6
131.08586	57.3
133.10146	64.2
135.08107	22.4
135.11743	24.1
137.09625	8.4
141.07085	9.8
142.07780	18.9
143.08572	47.9
144.09346	16.6
145.10143	74.2
146.07312	7.9
147.08049	10.4
147.11700	22.3
149.09595	19.8
155.08578	15.5
156.09360	16.4
157.10149	50.5
158.10902	10.8
159.08061	7.7
159.11742	39.2
161.09625	51.3
161.13269	15.2
163.11200	6.0
167.08612	7.1
169.10138	18.2
171.11734	33.2
172.12337	4.4
173.09625	9.0
173.13322	28.5
175.11212	6.2
175.14819	19.1
177.12761	5.2
179.08629	13.1
181.10110	11.1
182.10849	10.0
183.11713	24.4
184.12514	5.8
185.13263	19.4
187.14873	13.4
188.40967	4.6
193.10068	7.7
194.10861	6.6
195.11801	12.8
197.13280	20.1
199.14851	12.6
201.12801	7.3
201.16394	11.1
207.11908	4.3
209.13428	23.9
211.14867	9.3
213.12822	7.0
213.16446	8.1
223.14758	4.7
227.14299	14.7
227.17870	4.5
237.16388	5.6
239.17923	8.6
251.17874	4.4
254.60364	4.3
257.19101	5.5
265.19556	6.6
269.19183	5.1
349.28024	5.3
367.26166	13.2
367.30371	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	367.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	13.9
65.95898	13.1
66.32061	12.5
67.05500	33.0
69.03439	45.3
69.07058	25.2
70.06600	29.4
71.05005	37.8
71.51398	23.0
72.08185	20.5
78.52551	13.0
79.05496	47.9
81.07062	100.0
83.04991	29.1
84.08138	14.7
85.02924	28.8
91.05489	40.9
93.07056	31.7
95.05006	16.3
95.08592	21.5
97.02890	23.2
100.02184	15.3
104.22372	14.2
105.07017	22.5
107.08595	27.2
109.06529	21.2
109.10178	33.5
111.08078	22.6
119.08554	26.5
123.11745	29.8
133.10144	25.6
138.05522	13.8
139.11215	21.4
145.10181	25.2
147.11763	16.5
151.11235	30.4
157.12189	17.2
161.09554	17.6
164.49863	13.5
167.06985	16.8
168.06563	31.4
169.12210	26.5
187.13367	86.9
245.09303	15.3
271.10852	34.3
299.10379	19.3
367.17136	17.1
375.62631	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	367.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80632	2.7
53.03938	5.1
55.01871	10.6
55.05514	18.2
59.05001	7.9
65.03944	4.6
67.01888	3.4
67.05516	32.0
69.03432	21.8
69.07081	20.3
69.07400	3.3
71.05017	5.7
71.51921	3.3
72.08154	8.7
77.20685	2.6
79.05501	44.3
81.03430	4.8
81.07076	45.5
83.04996	42.8
83.08645	5.6
85.02899	3.1
85.06562	11.3
91.05494	57.1
93.07057	49.4
95.04987	23.4
95.08618	26.1
97.02905	3.9
97.06539	13.8
99.00835	4.9
103.05468	5.3
104.40102	2.6
105.03399	8.0
105.07049	83.5
107.04955	15.4
107.08617	39.9
108.41867	2.9
109.06533	22.9
109.10180	10.5
111.04444	7.6
111.08111	10.0
113.05996	4.1
115.05443	20.0
116.06240	4.1
117.07031	30.4
119.04958	7.7
119.06007	3.1
119.08614	44.9
121.06519	20.7
121.10145	13.5
123.04453	11.5
123.08119	14.4
123.11682	5.3
125.06037	6.3
125.09646	4.8
127.07548	4.0
128.06245	53.4
129.07050	23.4
131.04926	7.1
131.07600	5.4
131.08585	96.5
133.06525	21.7
133.10141	32.9
135.04422	5.9
135.08061	33.3
135.11713	5.0
137.06012	14.6
137.09608	9.5
139.07538	6.5
141.07036	15.4
142.07806	20.1
143.08583	89.0
144.05678	7.1
144.09424	6.3
145.06500	48.4
145.10135	32.1
146.07341	3.6
147.04430	10.9
147.08078	19.4
147.11703	12.6
149.06017	19.4
149.09647	28.9
149.13313	4.8
151.07562	9.8
152.07106	3.7
153.05496	9.6
153.07014	14.5
153.09111	6.6
154.07793	3.5
155.06001	4.2
155.08563	39.5
156.09357	8.8
157.06540	6.8
157.10126	28.8
158.07312	9.7
158.10931	4.6
159.04396	2.9
159.08076	65.8
159.11740	18.4
161.05991	12.1
161.09645	54.2
161.13287	7.8
163.07570	23.6
163.11208	6.8
165.05473	5.0
165.07089	4.5
165.09161	9.3
167.07236	2.6
167.08615	5.1
168.09361	26.6
169.06467	6.6
169.10129	8.9
171.08083	62.3
171.11693	17.1
172.08823	4.4
173.06035	5.8
173.09680	14.6
173.13297	46.4
175.07541	8.3
175.11177	13.2
175.14854	3.6
177.09143	38.9
177.12688	4.6
178.07834	5.4
179.07050	2.7
179.10732	4.3
181.06508	10.0
181.10165	6.7
183.08107	5.0
183.11717	52.2
185.09682	8.3
185.13220	5.3
186.10416	4.8
187.02390	4.1
187.07597	14.9
187.11214	12.0
189.07434	4.6
189.09132	75.3
189.12740	19.9
191.14343	9.0
193.08650	5.5
193.10162	18.1
195.08186	3.2
195.10083	3.5
196.08870	20.7
197.13330	3.3
199.11209	54.3
201.09129	8.5
201.12775	76.8
203.10670	5.3
203.14380	7.0
205.08556	15.3
205.10437	3.7
205.12352	8.9
207.10237	27.7
207.13873	6.6
209.85417	3.0
211.11218	81.4
214.09929	2.7
215.08627	4.4
215.20190	3.0
217.12276	34.4
219.10167	5.0
219.13818	30.4
223.11238	7.1
229.12274	100.0
231.10229	4.5
233.09645	5.3
235.13341	10.4
241.12273	40.0
243.13904	5.7
247.13339	66.2
249.11386	4.8
259.84952	2.6
261.09460	4.2
261.14847	5.5
265.14365	8.5
271.13315	8.7
277.14590	4.5
289.14398	16.8
307.15366	9.6
349.23785	3.7
353.67276	3.0
367.11917	16.0
367.16968	11.3
367.21472	17.4
367.25726	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	367.1756
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	2.1
55.01873	1.8
55.05314	1.1
55.05520	13.2
59.04995	2.4
59.80707	1.1
60.64094	1.0
61.35958	1.2
67.05521	10.5
69.03416	4.3
69.07079	6.0
71.04984	1.3
71.18868	2.8
72.08165	6.8
73.72176	1.4
79.05502	11.6
81.07058	12.7
83.04987	100.0
83.08658	1.6
85.06556	3.6
91.05490	17.0
93.07036	13.6
95.04992	6.8
95.08595	7.8
97.06530	3.4
101.06018	9.1
102.80502	1.3
103.05489	2.4
105.07042	28.2
107.04958	2.9
107.08591	12.6
109.06526	6.1
109.10152	4.2
111.04450	2.7
111.08086	2.4
113.23045	1.4
115.05445	3.0
117.07059	6.7
119.04928	3.3
119.08590	14.8
121.06516	5.2
121.10144	4.9
123.04396	3.7
123.08071	4.9
125.09638	2.1
128.06250	7.4
129.07019	6.1
130.07771	1.7
131.04909	1.8
131.08574	24.2
133.06499	4.9
133.10127	10.0
135.08083	8.4
135.11711	1.4
137.05980	2.6
137.09628	4.5
141.07014	3.5
142.07799	2.8
143.08588	20.4
144.09338	1.3
145.06506	7.0
145.10138	10.0
147.04449	2.5
147.08069	7.3
147.11670	6.5
149.05943	3.8
149.09630	2.9
151.07565	3.4
153.07013	3.0
153.09122	3.7
155.08578	6.5
156.09427	1.5
157.06549	1.3
157.10124	5.7
158.07323	2.4
158.10873	2.6
159.08075	16.3
159.11700	5.8
161.05978	2.4
161.09642	35.6
161.13280	2.0
163.07567	5.5
163.11195	2.5
163.14896	1.4
165.09120	4.7
165.12720	1.3
166.34215	1.3
168.09372	5.9
169.10011	2.1
171.08116	9.2
171.11665	3.2
172.08836	1.4
173.06119	1.2
173.09628	2.8
173.13272	14.3
174.06749	1.5
175.11182	3.2
177.09087	12.2
177.12701	1.2
179.10616	1.3
181.06485	1.4
181.10164	1.4
183.08058	1.6
183.11670	11.9
185.09630	1.5
185.13281	2.8
187.07530	3.7
187.11128	3.2
189.09137	21.1
189.12772	5.1
191.14294	5.2
196.08858	1.9
199.11215	6.5
201.09276	1.6
201.12753	27.1
203.14253	2.0
205.08665	2.1
207.10152	14.5
211.11156	7.3
217.12175	6.9
219.13797	19.2
229.12259	27.6
234.76462	1.3
235.13298	2.9
235.82770	1.2
241.12209	2.6
247.13332	29.5
249.11197	3.0
265.14380	24.6
271.13361	1.7
289.14395	3.4
307.15472	8.7
349.19537	1.5
366.96191	1.3
367.17502	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	367.0217
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96578	0.2
62.60904	0.2
69.02581	0.2
70.14936	0.5
70.15331	0.4
73.75838	0.2
82.99857	0.4
98.97585	0.5
101.00896	3.1
116.98718	0.4
119.01942	6.7
134.99876	0.4
137.02971	1.0
140.98853	0.7
150.56554	0.2
151.37485	0.2
158.99911	2.3
160.00104	0.2
175.03119	0.5
177.00980	17.1
178.01102	0.6
180.83691	0.2
182.99881	1.0
201.00938	2.8
217.04080	2.8
217.99132	0.3
219.02039	23.1
220.02194	0.9
225.00916	2.3
225.40082	0.2
235.00067	0.6
236.00092	0.6
240.98882	0.4
241.99077	0.4
242.03511	0.4
243.02032	10.3
258.99939	1.2
260.00150	1.5
261.03098	100.0
262.03217	4.4
263.03259	0.7
264.99066	0.3
277.00980	0.8
278.01318	0.8
283.00000	2.0
284.00131	3.6
284.04669	1.6
284.99884	1.0
301.01071	2.2
302.01212	3.8
303.00940	1.4
326.01105	0.5
335.54623	0.2
343.02274	0.4
344.02249	2.3
362.03143	0.3
364.51047	0.2
367.01984	0.6
373.01355	0.3
385.03229	4.6
386.03616	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1099
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	1.0
56.96571	12.6
57.03433	2.9
57.03681	0.6
58.99867	0.9
61.02927	1.7
63.92309	0.6
68.98304	0.7
69.03429	5.8
69.45015	4.1
70.06599	1.5
70.99863	1.4
71.01366	4.0
71.04989	1.2
72.08162	1.8
73.02922	2.6
81.03432	2.2
82.99845	4.5
84.96052	3.3
85.02914	10.3
86.89992	0.6
87.04474	1.8
94.99858	1.0
97.01404	1.4
97.02914	6.0
98.97598	48.8
99.04450	1.2
100.99156	2.7
101.00896	40.5
102.00964	1.6
103.00631	1.2
103.02489	0.8
104.01307	0.8
105.00373	0.8
109.02940	0.8
110.97580	6.9
112.99149	4.8
113.00876	5.0
113.02364	1.0
115.00697	1.2
115.02454	6.9
115.03867	0.7
116.98634	10.0
117.03997	1.7
117.90762	0.7
119.01936	38.5
120.02009	0.8
121.01656	0.9
123.99419	0.9
124.02466	0.9
124.31517	0.6
124.99143	1.9
125.00947	0.6
127.00726	0.9
127.02469	3.3
127.03931	2.4
128.98593	4.7
129.01953	0.6
129.03996	2.7
131.00233	4.6
131.01904	6.4
132.99916	0.8
133.01653	1.6
133.03481	9.0
134.99643	1.3
137.00848	1.1
137.02927	1.6
138.97060	0.7
139.02422	4.0
140.03400	0.6
140.98668	1.1
142.01796	1.7
143.00154	4.6
143.01906	5.5
144.98137	1.8
145.01697	4.0
145.03497	7.1
145.04961	1.3
146.99637	1.5
149.01294	2.1
151.02443	0.8
155.00130	1.3
155.01923	5.1
156.98108	1.4
157.03491	46.9
158.99640	4.0
159.05057	1.5
161.01183	5.7
161.03102	3.4
162.99071	1.3
163.02852	6.0
163.04488	5.3
169.03481	8.3
170.99673	2.7
171.05061	2.2
173.01280	2.6
173.02988	5.0
174.99219	3.4
175.02937	1.6
175.04539	24.3
177.00751	2.5
178.04947	1.1
179.02266	10.7
181.04024	1.0
181.05632	3.2
182.03389	1.1
182.99648	0.7
185.01355	1.1
185.03020	2.6
186.99190	1.5
187.02823	2.1
187.04561	4.4
189.00774	1.8
189.05945	1.4
191.02347	1.4
191.04008	1.7
192.04689	2.3
193.00204	1.1
193.03590	1.3
196.03139	2.1
197.03201	3.5
199.04552	1.7
201.00737	2.6
202.06076	1.3
203.03986	1.5
205.00250	0.9
205.03748	4.1
205.05635	12.2
205.07445	0.8
206.04576	2.3
211.04538	1.8
215.04102	0.9
217.00281	2.0
217.05644	4.7
217.07474	1.2
219.01791	8.5
221.03348	5.2
221.04999	1.3
223.04839	2.0
223.06656	52.6
224.06787	1.9
232.05424	0.8
233.03192	0.9
237.02820	7.1
239.04430	19.3
239.06844	1.2
241.05659	1.7
241.07736	6.0
245.05066	4.3
246.08243	1.1
247.01224	2.2
247.04520	1.5
247.06947	5.8
257.05429	3.4
259.06653	2.8
265.02652	0.9
265.07779	17.0
267.04419	0.9
267.07620	1.0
270.05057	1.1
277.07907	7.0
279.09286	2.4
289.07758	1.4
291.09003	0.9
293.06137	0.7
301.07895	3.8
305.10916	2.2
307.03406	3.9
307.08667	13.7
308.08905	0.8
321.10349	2.6
325.08020	6.7
335.02792	3.9
337.09573	1.2
345.01581	0.9
349.05786	0.9
349.09720	4.8
367.10995	100.0
368.11136	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	366.2853
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	4.2
56.05047	5.8
57.03424	1.1
60.04531	100.0
67.05504	11.8
69.03409	0.9
69.07073	3.2
69.72563	4.6
70.06568	2.2
70.18378	1.0
71.04985	2.9
72.04518	1.6
72.08166	1.9
74.06086	2.7
79.05501	8.4
80.04996	1.5
81.03416	1.4
81.07052	12.2
82.06599	2.1
83.04986	1.6
85.06551	5.2
86.06071	1.5
90.05551	1.7
91.05470	5.3
93.07048	8.3
95.04958	1.5
95.08610	13.1
96.01160	1.1
96.08160	1.1
97.06534	1.1
99.04456	1.3
105.07041	6.0
105.76922	0.9
107.08598	5.4
109.10173	4.2
111.08113	1.1
113.06000	1.1
113.38908	0.9
119.08573	3.6
120.08128	1.0
121.10160	2.3
123.08041	1.4
123.11691	1.9
131.08583	2.1
133.10136	3.6
133.72621	0.8
135.11705	2.4
136.75620	0.9
141.09120	3.0
145.10089	1.0
147.11700	2.0
149.13193	1.0
159.11737	1.2
169.08585	1.6
169.12175	1.1
173.13042	1.6
175.14795	1.0
187.09625	6.6
222.18477	1.3
234.14461	0.9
234.18480	1.8
235.16905	1.2
250.21645	0.9
252.19675	2.9
270.20657	3.7
276.23303	2.5
288.21628	1.8
294.24344	5.5
312.25351	7.5
330.26376	14.4
348.27435	31.7
366.28525	61.0
367.28708	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	3.1
55.05511	3.3
60.04531	18.8
69.03423	5.8
70.48513	6.7
71.05000	9.1
71.94640	1.9
79.05510	16.2
81.07066	100.0
83.04984	7.7
83.08596	2.1
85.02914	11.5
87.04473	2.7
91.05472	4.0
93.07057	12.9
95.08617	5.8
97.02920	3.0
98.21507	2.0
99.04465	2.8
99.08111	3.4
105.07031	2.8
107.08596	1.8
109.02895	1.8
109.10149	2.1
119.08619	2.2
127.03931	2.6
133.10144	4.4
141.09090	3.2
145.04927	5.9
149.67747	2.1
163.06012	2.1
169.12254	2.0
180.68344	1.7
187.09637	3.1
243.12326	6.2
249.07826	1.7
281.14560	1.9
298.42740	1.8
348.27036	5.7
366.28635	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	365.2689
Annotation	10-Deacetoxybarbilycopodin
Peak:m/z	Relative Intensity
55.05502	1.4
57.07080	6.5
66.55305	0.3
67.05507	1.7
69.07072	1.5
70.68952	0.6
70.69312	0.5
73.24860	0.3
79.05482	1.2
81.07054	2.3
83.04989	0.5
83.08592	0.7
85.06544	4.2
85.09663	0.3
90.82351	0.3
91.05476	1.2
93.07042	1.4
95.04969	0.7
95.08624	1.9
97.06530	0.5
97.10155	0.3
105.07027	0.9
105.16613	0.3
107.08621	1.5
109.06512	2.6
109.10125	1.0
119.08620	1.6
121.06501	0.4
121.10125	0.7
121.34624	0.3
123.08067	3.9
124.08855	1.9
124.50056	0.3
125.06010	0.5
131.08574	0.6
133.10133	0.6
135.08058	1.5
135.11670	0.5
137.06001	0.5
137.09634	0.4
139.07538	0.4
145.10081	0.5
149.09639	0.6
151.07552	4.7
151.11140	0.3
152.08345	7.1
157.10149	0.6
159.11678	1.1
161.09673	0.4
161.13326	0.4
163.11163	0.5
165.09119	10.3
166.09816	0.7
177.12737	0.5
179.10678	1.7
181.12186	0.5
185.04166	0.3
194.13048	3.9
195.13953	0.3
203.05252	0.6
207.13782	2.0
207.15480	0.4
221.15350	0.4
235.16951	0.6
249.18468	0.8
258.31891	0.3
262.21783	0.3
263.20129	4.3
277.21832	0.3
291.19510	0.4
319.26343	1.3
329.24728	0.4
347.25827	18.6
348.26257	0.7
365.10562	1.1
365.26895	100.0
366.27136	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	365.2692
Annotation	10-Deacetoxybarbilycopodin
Peak:m/z	Relative Intensity
51.59519	0.6
55.05491	1.9
57.07072	2.9
61.08378	0.6
64.68916	0.7
67.05490	2.3
69.07060	2.2
71.01176	0.8
71.08605	0.7
75.33088	0.6
79.05494	1.6
81.07068	3.3
83.05003	1.1
83.08612	1.5
85.06533	1.1
86.58447	0.7
91.05493	8.6
93.07042	3.3
95.05017	0.7
95.08620	3.5
97.10183	1.2
105.07046	1.5
107.08584	1.9
109.06517	1.5
109.10162	3.2
119.08593	1.3
121.10209	0.7
123.08051	3.2
123.11695	1.6
124.08869	1.0
137.05959	0.8
137.09599	0.7
151.07541	4.1
152.08365	7.5
157.10278	0.8
162.79063	0.6
165.09120	8.8
179.10686	2.5
187.23042	0.6
194.13022	4.6
201.66222	1.0
203.05301	2.1
207.13837	0.8
235.16928	0.9
249.18488	1.3
263.20099	2.1
292.95908	0.7
319.26312	1.0
347.25851	17.7
365.10553	2.8
365.26898	100.0
366.27560	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	365.2689
Annotation	10-Deacetoxybarbilycopodin
Peak:m/z	Relative Intensity
55.05510	3.2
56.22613	0.9
57.07063	3.8
59.03019	0.9
65.31401	0.9
67.05518	5.4
69.07066	4.6
70.96780	2.3
71.04979	2.2
71.08623	1.7
73.49185	1.0
79.05495	2.6
81.07059	7.2
83.08625	2.4
85.06550	2.5
91.05481	4.2
93.07051	4.3
95.02249	1.0
95.08591	6.9
97.06544	1.4
97.10202	1.3
105.07045	3.4
107.08598	2.8
109.06517	3.1
109.10200	2.1
111.04453	1.9
117.07026	1.2
119.08592	2.1
121.10194	1.9
123.08101	6.8
123.11668	1.5
123.98326	1.0
124.08839	1.6
131.08611	1.2
133.10179	1.8
135.08038	2.3
135.11668	1.7
137.05988	2.0
139.07501	1.3
139.51682	1.1
142.07779	1.2
143.08569	1.7
145.10153	1.8
147.11694	1.8
149.09644	2.0
151.07571	5.0
152.08354	4.4
157.10139	2.0
161.09616	1.0
161.13353	1.4
165.09111	16.6
175.11311	1.4
179.10718	3.2
185.13266	2.2
191.10693	1.1
193.12335	2.0
195.13918	1.4
203.05365	1.2
208.14555	2.3
219.13824	1.4
221.15491	2.5
258.10840	1.0
263.20114	19.5
263.22931	1.2
305.24838	4.6
319.26294	6.0
346.37933	1.0
347.25848	56.7
348.26108	1.2
365.10706	4.1
365.26965	100.0
366.27240	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	365.2308
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.6
55.05504	8.5
56.96569	3.1
57.03431	3.6
65.46095	1.7
67.05512	12.4
69.03422	4.4
69.07080	13.2
71.05000	1.9
71.42103	3.7
71.64235	1.8
79.05500	11.0
81.07058	8.6
83.04990	3.5
83.08614	2.9
89.85800	1.9
91.05486	9.4
93.07034	12.5
95.04970	3.2
95.08604	4.9
97.02908	4.6
97.10157	3.1
99.77330	1.7
105.07023	6.3
107.04956	3.7
107.08591	7.8
109.06522	3.3
109.10139	3.1
117.06983	3.4
119.08569	5.4
120.66816	1.8
121.10155	2.8
125.09621	3.4
131.08527	3.2
133.10168	2.1
135.08058	2.6
135.11713	2.2
137.09648	2.4
145.10126	4.9
157.10184	2.5
159.11699	2.5
189.11166	2.4
223.13278	4.6
231.10966	2.7
267.09259	1.9
273.18387	3.9
285.10098	3.7
291.19571	22.8
296.46939	1.8
333.19339	2.1
365.10449	5.7
365.23022	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2304
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95732	0.4
54.68151	0.4
55.93545	0.4
67.05508	0.8
69.07085	0.5
70.40870	1.5
70.66460	0.5
79.05507	1.0
81.07056	1.4
85.47262	0.4
91.05499	1.2
93.07047	0.9
95.08614	0.8
105.07045	0.7
107.08581	0.9
109.10135	0.7
119.08622	0.9
121.10173	0.7
131.08612	0.5
133.10136	1.0
135.08105	0.6
145.10121	1.1
149.65771	0.5
156.70334	0.5
157.10173	0.6
159.11755	1.0
180.74083	0.4
249.14723	0.6
254.86261	0.4
267.14264	0.9
285.15601	0.8
315.18140	0.6
330.37192	0.5
333.19504	0.8
365.23035	100.0
366.23364	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.2695
Annotation	Broussonetine S
Peak:m/z	Relative Intensity
51.26217	1.0
55.05514	2.6
56.05034	2.5
57.03431	1.0
60.04533	100.0
67.05508	9.2
69.07080	2.3
69.82371	5.8
71.04995	1.5
72.04519	3.5
74.06095	1.4
74.60887	1.2
79.05510	10.2
80.03545	0.9
80.05007	1.4
80.09264	1.0
81.03419	1.5
81.07060	10.0
85.06532	3.7
91.05484	10.7
93.07048	9.5
94.06592	1.8
95.04946	2.7
95.08621	6.0
97.06552	1.1
105.07059	6.7
107.08593	4.9
109.10151	1.4
117.07034	3.9
119.08586	4.8
121.10141	4.1
129.06985	2.0
131.08594	4.4
133.10150	3.4
143.08577	1.2
145.10103	2.4
147.11615	1.8
157.10114	1.6
159.11685	1.5
171.11668	1.6
175.14777	1.9
188.96249	1.0
274.21719	1.3
286.20090	1.3
292.22620	2.3
310.23837	5.9
328.24802	10.9
329.11288	1.4
329.25162	1.6
346.25916	81.3
347.12326	1.7
347.26089	3.0
364.26776	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	365.1125
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57266	1.2
51.41811	1.1
53.03954	2.3
55.01882	3.9
56.05038	1.4
56.96570	35.9
57.03439	5.6
59.05005	2.3
61.02946	2.9
65.03914	1.3
67.05505	1.5
69.03439	10.4
69.07076	2.1
69.65942	8.6
70.06608	2.3
71.01354	7.2
71.04984	3.8
71.95271	1.4
72.08157	4.8
73.02915	4.6
74.97624	2.0
79.05494	2.1
81.03419	4.1
81.04538	1.9
81.07082	1.7
83.01348	1.5
83.04975	2.2
84.04507	2.6
84.08147	8.3
84.96041	17.6
85.02913	21.2
86.51418	1.2
86.97587	1.4
87.04466	3.0
90.05566	1.9
91.05475	1.8
93.07056	1.9
96.08135	2.0
97.02897	14.0
98.06064	8.1
98.97595	92.3
99.04446	2.0
101.02395	2.5
102.39915	1.3
107.04945	1.8
109.02901	2.5
110.97583	30.9
111.04417	1.6
112.99155	4.7
113.02383	3.0
115.00689	2.1
115.03986	1.7
116.98644	27.5
118.04684	1.3
120.08074	2.3
122.07169	8.2
124.99136	2.2
126.97037	2.5
127.00700	1.9
127.03940	5.1
128.98628	26.2
129.01871	4.0
129.10236	6.6
130.06529	3.5
131.00174	4.6
131.03473	1.6
134.99687	4.9
139.03963	2.2
140.07086	23.8
140.98604	3.1
141.02219	5.0
141.07454	1.8
143.00189	11.5
143.01901	1.6
144.04793	4.6
144.98105	5.7
145.01738	2.3
145.04951	3.6
146.99635	12.1
148.08769	1.5
149.01204	2.3
152.98607	1.6
154.05006	1.3
155.00160	2.4
156.98123	2.3
157.01718	1.8
158.08133	1.5
158.99675	22.4
159.03334	20.2
161.01277	7.4
161.04855	13.1
162.99232	6.4
163.02733	1.7
167.07011	2.0
168.06572	3.1
170.99716	9.6
173.01212	1.4
174.99191	6.0
175.02841	1.8
176.08231	2.3
177.00740	19.5
177.04337	13.6
179.05942	11.8
182.99817	1.6
184.97690	1.6
185.04764	1.5
189.00758	6.1
189.04251	4.8
201.00685	8.1
201.04221	2.6
202.98735	1.7
203.05934	13.6
204.02943	1.5
204.07741	3.9
207.05486	2.2
213.00803	1.5
214.98573	1.6
215.05846	2.0
216.97958	1.2
219.01785	41.4
221.07069	3.7
222.08853	9.1
229.00255	2.1
231.05318	1.8
233.06889	2.1
234.99037	3.6
237.02855	58.3
245.07095	3.6
249.06686	1.7
261.06577	1.7
279.07629	4.1
303.07419	1.8
305.09091	100.0
306.09772	1.5
306.64105	1.6
321.08673	3.8
323.10144	96.1
329.05615	1.3
345.01413	4.3
346.11670	2.9
365.10934	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	363.2895
Annotation	2'(R)-Hydroxylanneaquinol
Peak:m/z	Relative Intensity
55.05513	8.0
57.03440	0.9
57.07065	3.5
59.04989	1.1
67.05502	8.0
69.07072	11.5
71.04990	1.0
71.08634	2.4
72.08151	1.0
75.77257	1.0
79.05492	5.4
81.07063	14.4
83.04996	1.6
83.08624	4.9
85.06535	1.6
89.06032	1.0
91.05468	3.2
93.07041	6.4
95.05007	1.4
95.08617	10.0
97.06517	3.2
97.59452	0.8
105.07040	4.7
107.08601	6.5
109.06520	8.8
109.10187	4.3
111.08102	1.9
117.07002	1.0
119.08595	3.5
121.06501	1.7
121.10164	5.4
123.08076	68.1
123.11693	2.7
125.09699	0.8
131.08653	1.4
133.10123	4.0
135.08035	6.5
135.11711	3.1
137.09628	5.4
137.13316	1.2
139.04303	1.1
139.11116	1.0
145.10153	2.0
147.11703	2.8
149.09619	1.7
149.13249	2.8
149.68945	1.1
154.65332	0.8
159.11717	2.8
161.13284	1.9
165.12750	1.7
173.13341	1.5
179.14304	14.7
204.33279	0.9
247.20691	0.9
263.20193	1.2
268.55978	1.1
275.20142	1.2
289.25110	1.4
307.22723	8.6
331.26270	6.3
336.94894	1.0
342.28262	0.9
345.27951	1.4
363.28955	100.0
364.29318	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	364.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03438	1.8
70.74980	2.9
70.80858	1.2
78.04704	1.8
84.08156	1.2
85.02911	5.1
95.04965	1.3
97.02879	1.8
98.97601	1.5
123.04451	4.5
124.05212	1.7
145.04979	1.4
152.04681	1.3
155.07083	1.3
166.05153	1.0
167.07060	100.0
168.07423	1.7
181.26427	1.1
184.09732	2.8
363.21664	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2895
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.8
55.05525	3.9
57.03438	0.5
57.07078	7.1
60.79949	0.5
60.99329	0.5
61.82465	0.5
67.05510	6.3
69.07079	3.6
70.32919	1.8
71.08631	4.3
79.05486	4.2
81.07058	9.7
83.04971	0.6
83.08596	1.3
85.06557	2.7
89.06035	0.9
91.05500	2.7
93.07042	4.6
95.04985	0.8
95.08613	9.1
97.06528	1.0
97.10153	0.7
99.08096	2.2
105.07029	3.5
107.08604	4.0
109.06523	20.6
109.10146	2.9
111.08074	0.7
119.08575	3.3
121.06492	1.2
121.10165	2.3
122.07315	2.6
123.08074	31.1
123.11723	1.4
129.07080	0.5
131.08575	1.1
133.08647	0.6
133.10161	2.4
135.08032	3.7
135.11697	0.6
135.29974	0.5
137.09631	1.1
143.08595	0.5
145.10098	1.3
147.11691	1.8
149.09596	0.6
149.13293	0.9
151.11176	0.6
159.11743	0.6
161.13293	0.8
165.12756	1.3
167.14308	1.2
179.14316	100.0
180.14680	1.4
188.31178	0.5
193.15863	3.8
257.98895	0.5
331.26282	5.4
345.27820	1.1
363.28931	80.5
364.29303	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	363.2893
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.5
55.01862	0.4
55.05513	3.5
57.07082	6.1
58.58929	0.4
67.05505	4.9
69.07076	4.0
71.04973	0.5
71.08642	4.6
71.44237	0.6
79.05498	2.7
81.07056	10.5
83.04990	0.8
83.08601	1.9
85.06557	2.6
89.06039	2.3
91.05468	2.2
93.07052	3.6
95.08610	8.2
97.06540	0.9
97.10162	0.7
99.08116	2.2
105.07028	2.8
107.08617	3.6
109.06522	19.6
109.10149	2.6
111.08069	0.6
119.08602	3.5
121.10177	2.4
122.07275	1.6
123.08073	28.3
123.11699	1.4
131.08600	0.9
133.10117	2.5
135.08057	3.1
135.11678	0.9
137.09637	0.7
137.13173	0.6
145.10112	1.2
147.11688	1.6
149.09633	0.6
149.13290	0.6
151.68393	0.4
159.11615	0.7
163.66652	0.4
165.12753	1.0
167.14366	1.6
171.48955	0.4
175.14854	0.5
179.14314	100.0
180.14671	1.3
189.16484	0.4
193.15866	3.1
195.12378	0.5
243.17416	0.5
248.61717	0.4
289.25525	0.7
307.22656	0.7
331.26309	5.0
345.27957	1.0
363.28937	85.1
364.29321	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.0967
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96566	4.2
57.71736	0.3
57.75500	0.3
60.60607	0.3
71.95274	0.4
84.96050	0.4
85.02930	1.1
87.04466	0.3
97.02907	0.5
98.97594	100.0
110.97574	1.4
116.98637	20.2
128.98624	0.5
134.99629	2.4
140.00183	0.4
158.99672	57.6
159.99988	0.5
170.99675	0.6
177.00731	27.4
183.03317	1.2
186.04333	0.3
189.00694	0.3
192.04601	0.6
195.01735	0.7
199.22861	0.3
200.02406	0.8
201.04361	1.8
219.01788	27.7
220.02132	0.3
225.04356	0.5
231.08821	0.7
237.02792	1.0
237.08023	0.4
243.05438	3.9
303.07504	3.7
321.08630	4.7
331.06598	0.4
360.43805	0.3
363.05521	0.5
363.09644	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	362.3265
Annotation	CHEBI:131749
Peak:m/z	Relative Intensity
51.47168	0.5
55.05507	0.6
56.05039	4.3
57.07088	4.7
58.06601	7.4
60.04516	1.8
65.25157	0.5
67.74862	0.5
69.07062	0.6
70.06590	1.9
71.08631	2.2
72.08166	3.8
74.06087	4.1
85.10185	1.1
86.06066	4.5
88.07635	35.5
92.82671	0.5
100.07643	1.7
101.21765	0.5
101.69048	0.5
102.09187	0.9
104.07116	3.5
104.21621	0.5
132.10204	8.7
153.59172	0.5
157.18666	0.5
162.11263	2.4
166.10757	2.4
256.26428	0.9
270.27921	27.9
282.27917	0.9
300.28964	1.6
314.30524	11.7
344.31647	1.3
362.32657	100.0
363.32806	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	363.0693
Annotation	Unknow
Peak:m/z	Relative Intensity
56.53041	7.1
59.73624	8.2
69.03415	24.9
69.87112	21.6
69.87500	14.8
85.02911	14.3
85.16857	8.0
97.02883	18.6
98.97610	46.4
100.96346	8.4
130.38982	7.9
133.00937	7.5
147.45891	7.3
161.01149	9.2
190.62589	9.0
191.03831	11.2
192.04698	70.2
201.04997	9.6
282.07785	8.3
282.59885	8.6
342.19479	8.2
344.50375	8.2
345.06754	10.8
363.06711	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.0694
Annotation	3,5,7,3',5'-Pentahydroxy-6,4'-dimethoxyflavone
Peak:m/z	Relative Intensity
56.36395	4.1
56.96571	30.2
57.03443	7.1
59.04971	5.2
61.02943	5.5
69.03442	26.0
71.01353	8.0
71.50330	7.3
73.02916	7.1
81.03423	8.2
83.05023	6.6
84.08158	5.5
84.96034	15.6
85.02933	31.5
87.04467	13.4
92.64883	4.4
97.02915	27.6
98.97591	100.0
99.04489	7.3
101.00897	14.8
110.97587	48.3
112.07590	6.1
112.99142	6.9
113.00901	7.6
113.02375	5.4
115.00623	5.4
116.98649	25.1
119.01915	13.3
120.09957	4.5
126.05547	6.2
126.97050	7.5
127.02531	5.2
128.98633	24.9
129.01920	5.0
131.00272	7.4
131.01878	8.5
132.79308	4.4
133.01762	5.2
143.00142	9.7
143.01906	14.6
144.98137	4.6
145.04988	10.9
151.68944	4.5
155.01865	5.6
156.06593	4.7
156.98102	12.7
157.03514	6.7
158.99658	30.2
159.03008	5.7
161.01250	5.3
170.99603	12.9
171.05151	4.9
174.99210	7.3
177.00749	18.3
183.05043	10.7
185.56065	5.1
193.05417	7.3
195.03123	6.8
200.65334	5.9
201.06131	10.4
214.69485	4.5
219.01770	22.5
221.05186	6.0
232.99701	4.5
237.02757	15.7
248.57253	4.8
250.02870	5.6
255.03337	4.5
273.07913	5.6
286.43723	5.1
303.09238	9.8
320.09348	6.4
331.06317	7.2
345.06854	10.5
345.16479	14.4
363.02457	8.1
363.07047	93.2
363.14267	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	361.1398
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	2.3
61.04852	2.1
64.27731	2.4
65.03945	9.3
65.26302	2.4
67.05521	4.2
69.03423	2.6
69.16904	7.5
69.17323	18.3
69.97361	2.1
72.64000	2.4
79.05506	7.6
81.07072	8.5
82.06626	3.2
86.09706	3.2
91.05486	10.5
92.05010	4.1
93.03437	2.8
93.07063	13.7
94.06565	9.8
95.04990	3.9
95.07369	5.7
95.08621	3.3
96.08176	13.9
97.06538	3.6
103.05470	4.3
105.07042	5.4
106.06635	3.6
107.04964	10.0
107.08580	4.1
108.08123	12.4
109.06561	2.9
110.09686	25.9
116.04984	3.2
117.07065	2.8
118.06572	4.6
119.04967	5.4
119.08573	4.0
120.04483	6.1
120.08117	15.7
121.06548	5.0
122.06017	4.8
123.04473	3.2
124.07645	3.3
128.06242	3.9
129.07008	7.2
129.10338	2.8
131.08583	6.0
133.06456	3.2
135.46796	2.8
135.75957	2.3
136.07608	14.5
137.06006	5.8
138.09145	34.7
144.04425	7.4
145.06516	3.5
146.06030	44.8
148.03946	97.5
148.07611	6.6
149.06001	3.4
151.07571	4.9
153.05527	4.7
154.08685	3.4
157.06514	6.1
157.10252	2.2
161.05957	13.1
161.09613	4.3
162.05466	2.2
163.07526	7.1
164.07072	13.8
165.05524	3.5
166.04990	13.7
166.08655	100.0
167.07042	21.9
172.03967	23.4
181.08653	20.3
189.09143	21.9
190.04996	73.3
195.08131	2.6
199.12442	3.1
207.08292	2.9
207.10065	6.0
208.08923	2.6
237.26680	2.5
251.11121	2.7
253.08638	3.0
253.13264	3.5
255.06699	2.5
255.11343	10.0
257.11942	2.7
269.08136	3.1
271.14407	4.2
273.12256	6.9
281.12796	3.0
283.10660	7.5
285.11273	7.7
296.90179	2.6
299.13950	25.8
301.11859	54.5
315.04761	3.2
315.12234	4.0
317.14038	5.2
325.11566	3.9
343.12415	5.9
361.13388	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	361.165
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	4.1
55.01871	3.7
55.05507	3.0
65.03937	2.7
67.05499	6.3
69.03436	3.6
69.07070	2.7
69.77969	11.2
71.04987	2.7
74.54732	1.8
77.03938	2.1
78.04706	2.1
79.05502	15.5
81.07071	13.0
81.07469	2.1
83.05006	3.1
85.06538	4.3
91.05494	28.4
93.07049	12.9
95.04977	7.0
95.08603	7.1
99.08099	6.2
103.05473	16.4
105.03399	2.6
105.04501	2.8
105.07039	17.2
107.04970	38.4
107.08588	6.0
109.06526	4.1
109.10138	2.4
111.04439	3.2
115.05467	5.6
117.07032	8.8
117.90024	2.0
119.04958	9.2
119.08592	4.7
121.06535	21.5
121.10172	3.2
122.03722	2.3
123.04450	11.6
123.08026	2.4
124.05231	5.1
125.06007	3.2
128.06247	8.6
129.07031	31.9
131.04959	9.8
131.08592	11.8
133.02873	4.7
133.06506	9.0
135.08070	7.6
137.05991	19.7
140.04703	2.7
141.07022	3.1
145.06511	8.4
146.07271	3.4
147.04430	6.9
147.08092	3.6
148.05238	3.7
149.05997	5.0
151.03935	5.1
151.07574	16.8
152.04739	5.3
152.06244	3.3
153.05486	12.9
153.06984	2.1
155.07065	4.4
155.08609	3.1
157.06506	24.6
158.07268	3.2
159.08044	4.3
159.10242	3.2
161.05992	53.9
161.09627	16.9
163.07542	22.4
165.05515	6.1
165.07021	10.1
165.09146	9.6
166.06288	9.3
166.07651	2.3
167.07076	72.3
167.08543	6.5
169.10226	2.9
171.08191	3.3
174.06754	12.6
175.07520	10.4
177.07121	1.9
177.09090	10.7
178.07773	2.8
179.07040	7.5
179.08594	6.6
179.10748	4.1
181.05096	2.9
181.06435	4.8
181.06743	3.6
181.08621	100.0
182.07310	9.6
183.08047	4.3
187.07445	2.6
189.09129	84.7
190.07811	3.0
190.09451	3.3
191.08592	5.4
191.10539	3.0
194.07268	3.2
195.08058	11.3
195.09982	2.4
197.05948	3.7
197.09683	8.5
199.07646	2.5
203.10817	3.8
205.06606	3.2
207.06403	2.8
207.08160	6.2
207.10208	19.2
208.08922	4.6
209.06018	2.9
210.06822	7.3
211.07550	7.3
219.08122	6.2
221.06029	6.2
222.06821	3.9
223.04100	2.7
223.07628	10.1
223.11189	4.6
225.05531	3.6
225.09119	17.6
226.06229	2.3
227.07040	6.3
227.10532	2.5
229.12230	5.6
235.07533	4.6
236.08205	3.0
237.05513	2.8
237.09081	4.7
239.07057	7.5
239.10861	3.5
240.07922	4.1
241.08458	3.1
242.09381	3.8
247.07658	4.0
251.07045	4.1
251.10738	8.5
253.08606	16.0
254.09477	2.7
255.06564	3.8
255.10223	5.2
257.11722	14.9
264.07822	2.8
265.08694	3.1
267.09979	3.5
268.07269	3.8
269.08261	2.4
270.08789	6.7
271.09909	2.8
271.13278	2.9
279.10153	8.1
281.08093	3.3
283.09729	14.8
283.13309	10.0
285.08011	3.9
285.11200	30.5
297.11334	2.6
299.09283	4.4
299.12820	6.3
302.11514	3.9
311.12756	7.0
315.12207	18.6
317.13873	19.6
329.14020	3.3
331.15558	3.7
343.15463	10.4
361.16873	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	360.2747
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30914	5.9
55.05513	45.9
57.07045	7.4
67.05510	66.9
69.07091	35.7
70.95979	7.5
70.96322	13.6
71.05000	75.8
73.06587	11.5
79.05506	69.8
81.07070	31.3
83.04959	7.0
83.08630	22.0
91.05480	25.5
93.07049	80.0
95.08616	24.8
97.00940	6.8
97.06519	12.9
97.10168	18.6
105.07024	19.5
105.07740	6.6
107.08572	45.0
109.10170	63.3
109.75544	6.9
119.08584	12.7
121.10161	60.3
125.09641	18.5
131.08563	8.6
136.84908	6.5
147.11693	12.3
153.12764	50.9
155.10680	28.9
173.11755	100.0
189.11287	31.7
264.39615	7.9
269.42929	6.7
275.20004	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	360.2748
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	57.2
67.05511	75.2
69.07075	25.0
71.04996	75.4
71.07462	19.6
71.07799	21.8
72.08128	13.2
79.05515	80.7
81.07057	41.4
83.08629	19.1
85.02898	14.0
91.05500	18.3
93.07053	100.0
95.04988	10.4
95.08627	35.4
97.06528	10.1
97.10188	36.7
105.07029	22.2
107.08579	57.8
109.10143	63.2
119.08620	24.6
121.10152	70.1
125.09637	28.9
133.10159	13.9
147.12814	9.3
153.12744	44.6
155.10684	27.9
168.10709	9.8
172.42323	10.9
173.11794	95.7
189.11127	20.9
223.69424	10.2
257.18927	11.7
275.20084	57.3
299.25906	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	360.1291
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91771	1.0
52.09178	0.9
57.03427	1.2
57.28592	0.9
60.04528	6.7
61.02925	1.0
63.83690	0.9
69.03436	2.0
69.07054	1.0
70.06586	2.9
70.19779	0.9
71.51760	1.8
74.32634	1.0
79.05502	1.3
81.07059	2.5
84.08144	1.0
85.02893	3.5
86.09724	4.7
95.04971	1.9
107.08598	1.3
121.02857	2.8
122.78738	1.0
133.02863	3.3
135.04399	2.4
149.02359	100.0
150.02742	1.6
156.10172	1.3
163.03928	64.1
178.15388	1.1
181.04984	28.3
191.07051	1.9
199.57733	1.0
208.09727	3.4
342.22714	4.0
360.23767	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	360.1442
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	0.9
57.03421	1.5
60.04520	1.8
63.86699	0.6
64.06077	0.6
65.37971	0.7
67.05497	1.4
68.07053	0.6
68.35816	0.6
68.99782	1.2
70.06577	2.8
70.49570	2.1
72.08134	1.7
72.56017	0.6
76.48803	0.7
79.05469	0.8
81.07040	1.7
91.05475	1.5
95.04942	1.5
95.08615	1.3
103.05448	1.2
105.07018	1.7
115.05445	0.8
117.07028	2.2
118.61577	0.6
119.04945	2.8
121.02888	1.1
121.06520	3.8
123.04440	20.3
125.02357	0.9
131.04913	0.9
135.04396	2.1
135.08061	3.7
136.07545	1.6
137.05949	1.3
145.06470	2.5
147.04427	8.5
149.05965	2.0
151.03966	1.5
152.34515	0.6
157.06528	0.8
161.06024	1.8
161.89812	0.6
162.09122	0.9
163.03903	2.2
163.07555	14.0
165.05492	5.1
173.06023	5.9
175.07558	1.4
179.07042	5.1
189.05447	0.9
190.08638	11.2
191.07045	60.0
203.07018	2.7
208.09711	100.0
209.09982	1.5
220.09686	1.8
256.17230	0.7
325.10663	5.8
342.13400	3.6
343.11838	2.5
360.14450	24.8
360.23898	1.0
384.00793	0.7
384.19885	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.3158
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05278	2.9
55.05513	18.4
55.91525	2.2
57.03433	10.7
57.07080	100.0
67.05508	37.1
69.07073	22.4
69.79515	10.3
69.79919	3.9
70.06617	6.1
71.08638	85.9
75.04475	3.4
75.51406	2.2
81.07069	40.1
83.08632	27.4
85.10191	48.1
88.07626	8.4
89.06001	3.3
93.07059	6.3
95.08614	70.3
97.10182	27.6
99.11737	3.5
102.09151	3.2
103.07630	2.9
105.03737	28.3
106.08652	3.3
107.08571	4.1
109.10168	29.8
109.57037	2.4
111.11720	11.9
121.10181	4.2
122.06379	11.3
123.11706	17.4
125.13284	4.5
135.11649	3.1
137.13243	7.5
267.26926	10.8
285.27841	6.0
296.29553	49.7
307.47983	2.4
341.30560	60.1
359.29834	3.5
359.37189	53.4
360.29144	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	359.3161
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	17.6
57.07087	74.6
67.05514	30.9
69.07079	16.6
70.06625	4.6
71.08646	50.4
75.04514	5.3
81.07073	44.0
83.08653	18.3
85.10218	28.6
88.07660	8.9
93.07058	6.9
95.08624	55.6
97.10186	19.2
107.08636	10.6
109.10168	26.2
111.11736	8.2
119.08627	5.3
121.10143	9.3
123.11713	15.4
133.10152	5.7
151.14932	4.8
160.23195	3.7
161.13293	3.9
183.42235	3.3
192.98058	4.3
194.99602	6.3
196.55046	3.6
197.01213	23.6
209.01286	5.9
210.99254	6.6
211.02766	50.7
213.00710	28.7
214.98747	5.5
227.02238	100.0
229.00220	77.9
229.02538	7.9
247.01234	17.9
249.25688	4.2
267.26895	10.3
269.69321	3.6
279.09119	10.3
285.27969	5.5
287.46494	4.7
295.08655	4.8
341.30609	53.8
359.18936	51.8
359.29459	8.9
359.37112	40.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1706
Annotation	Grevilloside B
Peak:m/z	Relative Intensity
53.03942	1.9
55.01887	1.4
55.05515	2.2
57.03434	2.4
61.02926	3.0
67.05502	3.2
69.03438	6.4
70.06570	1.6
70.27340	3.7
75.64758	1.2
76.40260	1.2
79.05511	1.5
81.03428	3.5
81.07056	3.2
84.08125	1.3
85.02440	1.9
85.02924	28.3
86.09731	6.7
91.03945	2.0
91.05479	6.8
93.07055	4.4
95.04968	2.0
95.08611	1.9
97.02899	5.0
99.04460	2.5
105.07063	8.8
107.08620	20.8
109.02907	2.0
119.04991	1.9
119.08588	3.6
121.06506	2.2
122.88353	1.4
127.03894	5.9
133.10149	20.1
135.11725	22.5
137.06004	4.1
137.09610	2.5
145.04964	3.2
151.11206	2.8
161.09674	11.3
179.10704	35.3
197.11760	100.0
198.12224	1.7
248.38763	1.6
345.13126	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1702
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.7
57.03425	1.3
61.02916	2.3
67.05509	3.1
69.03425	3.9
69.07074	1.8
70.06584	1.6
71.24858	2.1
72.08137	1.2
73.02929	1.1
79.05489	3.9
80.12516	0.9
80.75528	1.0
81.03423	1.7
81.07056	3.9
83.04997	1.1
85.02921	10.2
86.09714	10.5
91.05466	6.3
93.07056	9.4
95.04983	1.9
95.08617	3.6
97.02899	2.4
97.06537	1.7
99.04478	1.1
100.89676	0.9
105.07053	9.8
107.05000	1.9
107.08611	32.3
109.06543	2.0
109.10118	2.5
111.04439	1.2
111.08060	1.5
117.06954	1.2
119.08600	7.7
121.06508	1.3
121.10158	5.3
123.08112	1.3
123.11742	1.7
131.04912	1.2
131.08588	2.3
133.10158	20.6
135.08080	1.9
136.07674	1.2
136.78255	1.1
137.06007	3.7
137.09648	1.9
138.79588	1.0
139.07536	2.0
143.08598	1.9
143.11890	1.1
145.01576	1.1
145.10143	1.4
149.09648	4.4
151.07582	1.4
151.11182	7.1
161.09628	5.8
167.07047	2.0
167.08470	1.4
167.10678	11.9
179.10690	17.6
197.11751	100.0
198.12196	1.9
200.13962	1.3
216.10457	1.0
224.08231	1.1
281.11877	1.1
299.69006	1.1
313.07135	1.0
313.10724	1.6
338.89847	1.0
346.91888	1.0
359.07535	2.4
359.15979	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1702
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.6
55.01876	2.7
55.05499	1.3
57.03433	4.4
57.07065	1.3
61.02929	5.8
65.03908	1.7
67.05502	3.2
69.03442	15.7
69.07066	2.0
70.06590	3.1
70.65298	4.0
71.05009	1.7
72.08166	5.9
73.02924	2.7
79.05501	3.7
81.03429	6.7
81.07057	3.7
84.08160	1.7
85.02913	38.9
86.09719	6.0
87.04443	2.5
91.03948	2.9
91.05470	8.1
93.07074	6.6
95.04958	4.2
95.08602	4.8
97.02900	12.6
99.04451	3.3
99.53754	1.2
103.05462	1.9
105.07041	11.6
107.08604	59.8
109.02870	3.4
109.06495	3.5
109.10161	11.8
115.05423	1.3
119.05022	2.0
119.08577	5.3
121.06487	3.4
122.88968	1.2
123.04428	4.6
127.03903	8.6
129.10271	1.5
130.06514	1.4
131.04948	1.7
131.08546	2.8
133.10143	30.7
135.08051	1.5
135.11732	10.9
137.06017	6.0
137.09593	7.3
145.04948	6.4
145.10153	1.3
147.08003	1.6
149.06013	1.4
151.11180	5.1
157.07663	3.3
158.47099	1.3
161.09644	10.1
179.10667	26.5
191.07056	3.2
197.11737	100.0
252.67606	1.3
348.42380	1.3
359.17035	8.1
360.14468	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.17
Annotation	Grevilloside B
Peak:m/z	Relative Intensity
52.71135	1.1
55.01846	1.6
55.05508	1.8
56.04633	1.1
57.03422	1.0
59.28098	0.9
61.02920	1.6
67.05492	2.6
69.03422	4.5
69.07067	1.1
69.17379	5.8
69.17805	4.2
70.06594	1.4
71.04991	2.4
72.08122	1.2
79.05493	3.6
81.03420	1.8
81.07056	5.6
81.73155	0.9
83.04970	1.3
85.02915	10.8
86.09718	8.2
91.05494	5.1
93.07042	8.4
95.04981	1.9
95.08601	3.6
97.02880	2.3
97.06490	1.1
105.07033	9.9
107.08600	39.5
109.06519	1.5
109.10140	2.7
111.04424	1.3
117.07039	1.8
119.08597	6.0
120.08123	1.0
121.06466	1.9
121.10159	7.6
121.59379	1.1
123.08074	1.7
123.11669	1.3
127.03912	2.5
128.06192	1.1
131.08580	1.7
133.06512	1.1
133.10130	21.0
135.11681	1.2
136.07599	1.6
137.05989	3.3
137.09644	1.1
139.07498	1.7
141.11359	1.0
143.08548	1.8
143.11798	1.3
145.04962	1.5
145.06506	1.1
145.10159	1.1
149.09612	4.1
151.11156	7.9
161.05980	1.4
161.09595	5.3
167.10689	13.0
179.07117	1.3
179.10677	17.7
197.11743	100.0
198.12056	1.0
200.13918	1.2
211.07608	1.1
215.35941	0.9
265.08298	1.0
268.36066	1.3
299.05362	1.8
299.09589	1.5
299.13132	1.0
311.12830	1.2
313.07129	1.1
313.10721	1.2
330.00781	1.0
335.41800	1.0
347.35394	1.0
359.07635	2.1
359.11444	1.7
359.16071	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	359.1525
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.1
55.01865	5.9
55.05508	6.3
55.26140	3.7
61.01160	21.5
61.13697	3.5
62.12970	3.4
65.03932	5.8
65.94617	3.2
67.05510	22.7
69.03404	9.1
69.07051	11.7
69.81353	17.1
69.81771	7.0
71.04971	5.7
79.05503	20.2
79.60584	3.8
81.03432	5.4
81.07065	75.9
83.04969	7.4
83.08627	4.4
84.08099	5.7
85.02893	4.7
85.06534	7.0
89.00629	19.1
91.05485	29.1
93.07038	34.1
95.04961	8.2
95.08622	26.8
97.02889	6.0
97.06542	4.8
103.05457	7.9
105.00120	5.7
105.07040	48.3
107.04958	7.8
107.08608	30.1
109.06521	10.0
109.10155	17.4
111.08044	6.0
113.02367	23.3
117.07029	13.8
119.08584	34.4
121.06477	8.2
121.10139	15.9
123.08064	9.4
123.11713	100.0
125.06034	5.1
128.06250	4.5
129.07010	6.8
131.08601	32.5
133.10133	29.7
135.08020	5.3
135.11691	10.4
137.06007	19.1
141.06934	3.9
143.08565	12.5
145.06500	7.5
145.10164	33.4
147.08095	8.9
147.11716	25.6
148.28438	3.3
149.09648	7.0
149.13254	5.2
151.03958	4.6
151.07553	7.7
151.11171	8.1
155.08607	5.1
156.09335	4.8
157.10141	13.4
158.10915	4.3
159.08083	8.6
159.11665	17.1
161.06024	4.1
161.09605	6.8
161.13245	14.0
163.07565	5.7
163.11151	4.8
165.05533	3.6
165.12646	4.7
167.07103	7.9
168.09386	6.5
169.10141	5.8
171.11668	22.2
173.13281	54.9
175.11145	7.1
177.12787	7.9
181.05057	4.1
183.11671	11.0
189.12802	18.2
191.14319	21.2
193.06824	12.7
197.11746	4.4
198.81715	3.5
201.12770	36.0
207.13896	4.2
219.13828	60.6
221.09854	6.5
233.09969	6.1
234.71681	3.6
237.14883	8.0
283.09894	6.1
295.13596	4.6
301.11133	5.5
309.10599	4.2
311.13113	14.2
313.14590	14.0
315.04895	4.2
323.12982	10.5
327.12207	5.6
329.14212	7.8
341.14096	39.0
341.17566	4.7
359.14899	22.0
359.18817	5.3
359.26010	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	357.3002
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	33.8
57.03427	7.0
57.07077	17.8
66.30782	2.0
66.31735	2.0
67.05507	29.8
69.06693	3.0
69.07074	47.3
69.55261	1.8
70.06609	13.3
71.08623	9.4
71.51329	3.5
79.05496	20.7
80.98705	2.5
81.07061	44.2
83.08622	29.5
84.08965	2.3
85.06546	3.7
85.10182	7.2
88.07625	13.7
91.05449	5.6
93.07044	28.3
95.08611	37.0
97.06554	14.1
97.10165	17.1
102.09177	2.4
102.35493	1.9
105.07035	4.7
106.08662	5.9
107.08591	20.3
109.10172	20.8
111.08070	2.6
111.11717	3.3
119.08587	4.1
121.10151	40.7
123.11698	6.5
125.09673	2.2
133.10095	3.3
134.38316	2.2
135.11702	27.1
137.13248	3.0
145.10268	2.3
149.13309	15.9
151.14896	2.5
155.14403	2.7
159.11699	2.7
163.14853	5.5
165.16451	3.7
167.14334	4.0
171.61052	3.0
177.16428	5.9
191.17957	4.3
247.24252	29.5
265.25272	21.7
339.28790	15.9
339.34677	4.7
357.24088	3.3
357.35580	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.3681
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	0.3
57.07084	6.8
57.37612	0.1
58.06601	0.7
60.04525	0.2
62.06093	0.4
67.05503	0.2
68.04709	0.1
68.05036	0.4
69.07062	0.2
69.40712	0.9
70.06599	14.8
71.08640	2.9
85.10191	1.4
86.06039	0.3
87.04462	0.3
88.07639	16.6
89.07985	0.2
98.20815	0.3
102.08495	0.1
102.09187	4.3
106.08678	8.4
123.26099	0.1
124.70889	0.1
159.43832	0.1
160.11909	0.1
296.33139	0.4
314.34268	0.7
340.35776	6.6
358.36807	100.0
359.37149	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	359.0379
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	12.2
56.96561	33.1
57.03422	21.6
57.44006	5.5
59.89114	6.9
61.02915	9.9
69.03432	64.3
70.06590	18.0
70.95338	12.4
71.01358	32.8
72.08137	15.4
73.02892	18.8
81.03422	9.2
82.99843	6.6
84.08144	21.1
84.96020	16.1
85.02906	100.0
86.09743	8.7
87.04465	16.8
97.02887	57.6
98.97023	8.4
98.97591	85.4
99.04478	12.1
101.00879	31.4
102.96846	6.8
103.00581	8.7
103.14832	5.8
105.24977	5.8
109.02894	8.6
109.07639	9.8
110.09654	9.8
110.97561	24.4
112.07620	6.0
112.99100	6.6
113.00859	25.2
114.09166	9.6
115.02428	10.9
115.03936	11.0
116.86160	6.4
116.98629	13.9
119.01943	30.6
124.85703	5.8
127.03915	30.8
128.98579	15.2
129.01790	9.7
131.01886	24.8
133.03496	9.9
135.02928	6.0
137.05997	8.3
137.10750	15.5
139.02419	6.5
141.02003	5.8
143.00124	8.1
143.01871	26.3
143.68446	7.1
145.03464	7.2
145.04939	26.9
154.36909	6.2
155.01834	17.3
156.98203	9.6
157.03462	24.4
158.99741	12.7
159.01398	9.1
161.01068	8.2
161.03035	15.5
165.10237	26.8
165.15565	6.2
169.03423	7.8
170.99652	7.7
173.02948	22.0
177.04308	14.1
179.02150	9.8
179.82245	6.8
182.04512	6.1
183.05034	12.3
183.11229	7.3
185.02913	14.4
187.00941	7.4
188.04224	8.2
192.04553	10.1
195.05107	8.0
197.04584	10.3
201.02362	10.2
203.03804	10.5
213.02469	9.4
213.04402	16.2
214.98685	9.8
215.04099	9.3
219.01735	12.3
219.07176	8.5
219.71313	6.9
221.05014	9.7
225.02460	9.2
231.03587	9.6
237.02667	12.0
239.04204	14.4
243.03616	13.0
245.05028	19.1
262.05481	8.4
268.08017	19.4
321.10370	57.5
323.06573	15.2
323.10196	29.6
341.07324	11.1
341.13470	26.2
359.03793	94.8
359.08432	17.2
359.14252	39.6
361.06293	7.6
375.39786	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	357.3004
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10220	5.4
55.05521	63.7
55.05768	8.7
57.03441	13.6
57.07086	52.1
67.05516	87.4
67.14079	4.9
67.76931	6.3
69.06733	8.7
69.07078	100.0
70.06607	12.7
71.08636	24.0
71.51503	5.8
71.52239	5.3
76.17835	6.1
79.05507	59.8
81.07074	83.2
83.04990	8.1
83.08636	67.9
85.06544	6.7
85.10194	18.1
87.04464	43.6
88.07626	8.7
91.05457	7.7
93.07066	60.9
93.40696	5.7
95.08621	94.7
97.06525	30.4
97.10188	43.9
107.08604	55.5
109.10152	41.6
111.08079	15.8
111.11721	12.1
119.08617	10.8
121.10169	95.9
123.11739	15.1
125.09640	11.4
135.11729	49.5
135.95689	5.0
137.13332	8.4
138.43997	5.9
139.11179	10.1
149.13289	31.5
151.14784	7.0
158.33089	5.5
163.14874	16.6
165.16362	8.3
165.23453	5.6
167.14418	5.5
177.16446	7.6
191.18062	6.1
198.12602	5.2
208.63626	5.7
247.24281	71.5
265.25381	59.8
319.83548	6.3
339.29053	40.4
357.24176	6.1
357.35513	58.6
358.36838	16.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.3002
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05270	2.1
55.05515	29.3
56.05839	2.0
57.03418	5.8
57.07082	21.3
61.02917	2.9
67.05507	27.9
69.07068	39.1
70.06597	11.8
70.07412	3.6
71.04097	3.2
71.04978	2.4
71.06915	3.3
71.08633	11.8
79.05493	15.3
81.06596	2.7
81.07056	35.4
82.07389	2.0
83.08617	24.8
85.02869	1.9
85.10165	6.3
88.07632	12.2
89.07970	3.1
90.05523	1.4
91.05489	4.1
93.07047	23.2
94.07319	1.4
95.08611	32.8
97.06510	9.9
97.10173	13.1
99.08050	1.4
102.09150	2.8
103.03967	2.0
105.07023	2.8
106.08649	6.5
107.08563	15.1
109.10159	16.4
111.08057	5.9
111.11726	5.2
118.61330	1.4
121.10142	29.2
123.11699	8.3
125.09654	3.4
135.11705	24.2
137.13275	3.6
139.11220	1.9
149.13306	10.7
151.14821	3.6
153.12756	2.9
159.11711	1.6
163.14803	3.9
165.16391	3.2
166.98456	1.5
167.14302	1.9
177.16481	2.4
190.07674	1.7
191.17883	1.6
205.19577	2.4
210.99042	1.8
247.24211	23.8
265.25293	20.7
313.02307	1.7
339.29083	14.9
339.34485	6.8
357.30676	3.6
357.35544	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	8.9
55.01866	9.3
55.05515	49.7
57.13370	5.8
67.05499	18.0
69.03433	12.1
69.07077	40.1
71.51035	7.6
72.08179	6.5
79.05497	18.4
80.60490	6.4
81.07069	54.9
83.08610	8.2
85.02913	9.6
85.06564	11.8
87.24500	5.7
91.05479	25.3
93.07056	22.3
95.04984	8.5
95.08615	70.5
97.06541	6.4
97.10174	100.0
99.08114	7.1
103.05421	8.8
105.07019	17.6
107.04958	14.5
107.08575	36.3
109.06498	6.8
109.10155	24.3
111.08105	12.9
115.05458	6.8
117.07005	7.7
119.08583	21.5
121.06509	5.8
121.10159	28.1
123.11709	21.1
125.09622	20.4
133.06511	10.5
133.10124	12.3
135.11693	9.6
137.05997	66.0
137.13252	6.4
139.11208	16.6
143.04898	6.1
143.10692	32.5
145.10104	15.2
147.04359	8.3
147.11717	12.1
149.05980	15.6
155.08617	7.0
159.11688	12.8
161.05968	14.8
165.05504	12.6
165.06932	8.8
167.07092	19.3
172.03920	7.2
175.07500	9.6
177.05455	17.8
179.80829	6.0
203.07040	16.6
204.06541	21.4
205.08728	8.5
218.07333	10.4
219.08121	14.0
224.08394	6.7
229.06203	14.6
235.07469	7.9
247.07584	7.8
263.07184	10.0
264.07681	7.8
265.08682	12.1
279.10095	14.6
293.08246	7.5
294.08905	6.7
297.11194	10.9
303.23184	12.1
307.09747	17.6
321.24329	26.4
325.10675	18.7
327.12292	18.9
329.13647	7.6
339.25192	12.6
357.13345	72.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1546
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	1.5
54.71331	1.4
55.01872	2.4
55.05507	2.3
65.03946	1.6
67.05514	8.6
69.03424	4.1
69.07051	3.6
71.04970	2.2
71.50816	1.8
72.08084	1.5
72.88271	1.5
73.02908	1.9
73.74440	1.5
79.05480	7.3
81.03410	3.1
81.07065	11.4
83.04964	2.6
85.02888	2.7
85.06555	3.8
86.09710	2.2
90.68343	1.3
91.05486	8.5
93.07040	8.2
94.04215	3.8
94.30941	1.6
95.04963	2.1
95.08630	8.3
96.61250	1.6
97.06523	3.0
103.05505	1.9
105.07030	9.7
107.08584	6.3
109.06506	2.4
109.10146	6.0
111.08071	4.7
115.05466	2.8
117.07020	5.3
119.08601	11.2
120.08133	1.6
121.06528	2.8
121.10141	4.3
122.03660	4.1
125.05984	1.6
127.03912	2.4
128.06215	2.0
129.07016	3.5
131.04906	1.5
131.08546	5.9
133.10124	8.0
135.08070	2.5
135.11720	1.7
136.77588	1.8
137.05989	100.0
138.06236	1.9
142.07753	2.0
143.04922	6.2
143.07652	1.6
143.08577	8.5
144.04442	4.8
144.09302	1.7
145.10115	11.7
147.08046	2.3
147.11743	2.3
149.05954	2.7
149.09587	2.9
151.03906	23.1
151.04979	3.0
156.09328	3.4
157.10121	3.7
159.08087	1.9
159.11742	8.6
161.05989	3.1
161.13313	2.4
163.11191	3.7
164.10764	2.6
167.07089	2.5
171.11745	8.6
172.03934	18.5
175.07556	5.2
175.11243	1.7
177.05470	1.9
177.09073	2.8
187.11209	5.1
191.10698	1.7
193.08670	2.0
195.06561	1.7
199.11252	2.6
203.07079	4.9
204.06570	27.8
205.08517	1.7
209.09851	1.8
215.33672	1.7
217.12239	12.3
219.07925	3.1
225.12773	1.8
235.07477	2.2
235.13359	7.9
295.09799	1.8
296.10492	5.3
297.11334	2.8
307.09586	2.1
311.09143	1.6
312.10092	1.8
324.10095	1.8
325.10547	3.6
327.12253	12.2
339.12411	3.0
357.13290	32.9
357.17801	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	356.3522
Annotation	Eicosanoyl-EA
Peak:m/z	Relative Intensity
55.05276	0.6
55.05519	9.4
57.07062	1.1
58.06623	0.4
61.98845	0.4
69.06738	0.5
69.07075	6.5
69.38253	2.6
69.67757	0.3
70.06596	13.4
71.08611	0.5
79.42519	0.3
81.07069	0.7
83.08627	3.7
88.07636	14.3
97.10151	1.5
98.21545	0.7
102.09188	4.3
106.08678	8.4
132.77368	0.3
150.26793	0.4
169.77017	0.4
264.23038	0.4
312.32544	0.9
338.34152	6.2
356.35242	100.0
357.35510	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	357.1334
Annotation	Unknow
Peak:m/z	Relative Intensity
55.85886	0.6
56.96558	9.2
57.03432	2.0
61.02913	2.1
62.09116	0.7
67.05526	0.7
67.67083	0.6
69.03434	5.7
69.27775	1.5
69.28176	4.7
70.06589	2.2
70.98120	0.6
71.01346	2.0
71.04982	1.4
73.02910	1.7
81.03412	1.4
84.08148	2.4
84.96023	2.3
85.02920	9.0
85.06541	1.6
87.04471	1.7
95.04962	0.9
97.02915	5.2
98.97594	12.4
99.04479	1.2
109.02889	0.8
109.99173	0.8
110.97583	3.8
112.07630	1.7
112.99138	1.2
115.03875	1.0
116.98621	2.8
119.01800	0.8
124.99101	1.0
127.03928	2.0
128.98639	2.4
130.08653	2.0
131.00151	0.7
137.05942	0.7
138.02267	1.7
142.01828	0.7
143.00128	0.9
143.01895	2.7
145.03368	0.7
145.04997	2.0
155.01933	2.0
156.03345	60.7
157.03616	1.3
158.99670	2.6
159.51242	0.7
161.01369	0.8
161.02975	1.7
168.03345	49.1
170.99657	1.3
173.02954	1.0
174.04414	28.2
177.00717	1.4
178.05017	1.4
186.04410	100.0
187.04729	0.9
191.04152	0.7
192.05431	1.4
195.07545	0.8
197.03088	0.8
200.05940	2.5
202.98740	0.8
204.05466	33.9
213.04390	0.8
218.06981	1.0
219.01785	2.3
225.06958	5.1
228.05458	46.6
231.08847	0.9
237.02870	2.3
243.03169	0.9
244.04030	0.8
245.05157	6.3
246.06540	27.8
261.02835	0.7
263.06113	1.7
269.08002	1.0
272.04672	1.0
278.56311	0.8
279.10184	18.5
293.09192	0.7
297.11258	33.5
305.07211	3.9
315.12189	1.0
321.08435	0.9
357.13223	3.4
378.58514	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.1188
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.8
53.80873	1.5
55.01888	8.2
56.96567	30.3
57.03444	19.9
57.58440	1.5
59.03709	1.5
59.05009	26.3
61.02932	9.6
67.05503	2.6
68.99805	1.9
69.03433	41.3
69.07073	5.0
70.06602	4.1
70.98119	1.5
71.01362	21.4
71.04998	8.3
71.33225	3.1
72.04522	3.7
72.08168	3.0
73.02921	17.8
73.04759	4.1
75.04496	2.9
75.77747	1.6
77.04356	1.6
79.05495	2.5
81.03437	13.4
83.01358	7.8
83.04976	3.2
84.04522	3.1
84.08114	4.8
84.96041	14.8
85.02911	100.0
86.03228	2.5
86.06022	1.6
87.04486	13.0
91.03967	2.0
91.05848	3.1
95.01341	5.1
95.04963	3.2
95.08633	1.8
97.02901	44.8
98.03236	2.0
98.06060	2.8
98.97591	46.1
99.04471	17.6
99.97955	1.7
101.02390	6.5
103.03952	7.6
105.07024	2.3
107.04928	3.3
109.02876	10.8
110.07232	3.9
110.97575	24.6
111.04420	9.9
112.03985	1.9
112.99145	3.7
113.02376	25.6
115.03941	7.3
116.98625	12.5
119.01804	2.4
121.02882	3.0
121.06527	2.7
122.06055	2.3
123.04436	4.8
124.07612	2.3
124.99155	2.8
125.02374	4.9
126.97094	2.2
127.03919	16.0
128.98624	19.9
129.01874	11.5
129.05534	3.1
130.05002	5.1
131.00209	3.3
131.03409	12.0
133.05058	1.8
134.99626	1.7
137.02441	1.7
137.05980	4.0
138.97023	1.7
139.03902	4.1
140.07098	8.4
140.98631	3.2
141.01826	14.7
141.05513	4.1
143.00177	6.2
143.03413	2.6
144.98091	4.3
145.04968	68.6
146.99687	8.0
147.04439	2.5
148.07579	3.0
149.05960	2.5
150.97069	1.9
152.07126	2.2
152.98584	1.9
153.01883	2.1
155.00082	2.4
155.03412	5.0
155.04716	2.1
156.98105	5.5
158.99690	13.8
159.02913	12.0
161.01239	2.8
161.04726	1.8
162.07677	3.1
162.99153	2.3
165.07393	2.7
166.04938	2.0
167.07050	7.9
168.98090	2.4
170.99698	8.4
173.01213	2.0
173.02876	3.6
173.04434	3.6
174.99127	9.4
176.07072	3.3
177.00722	5.7
177.03990	8.5
177.05507	4.1
180.03607	6.4
180.73267	2.0
181.98871	2.5
182.99809	2.3
184.97633	3.4
186.99182	5.2
187.02545	3.8
189.00722	3.6
189.02264	3.3
192.04797	2.5
193.00270	1.9
194.04463	6.6
194.08148	3.8
194.11810	2.2
195.07735	2.7
196.03073	2.0
198.99295	3.2
199.02460	2.1
200.00000	2.9
201.00749	6.0
202.98695	4.2
205.00266	1.9
210.99226	2.3
213.03966	1.9
214.36646	1.7
214.98598	2.7
217.00232	3.9
219.01733	18.4
219.03319	1.7
223.05458	4.4
225.04030	3.0
229.00186	4.7
230.06259	6.3
232.06035	2.4
235.03709	10.9
236.04413	12.4
237.02795	14.4
242.03311	2.9
243.05078	4.9
252.05740	3.0
265.03735	2.1
266.09174	6.5
271.01581	1.9
271.04504	47.5
286.00864	1.9
288.07156	5.9
289.05463	5.1
295.07687	4.0
306.08151	2.9
323.10367	2.4
324.09323	4.7
338.11041	2.6
341.05615	1.8
345.01566	2.4
356.13269	13.7
359.06726	4.8
360.19168	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2846
Annotation	2-Linoleoyl Glycerol
Peak:m/z	Relative Intensity
50.03807	1.6
53.03936	2.7
53.63357	1.4
55.01877	3.4
55.05515	34.4
57.03447	12.6
57.07085	14.7
65.03923	1.7
67.05511	82.0
67.63000	1.7
69.03434	2.1
69.07073	54.7
70.06593	2.1
70.16608	1.4
71.04995	4.2
71.08622	6.7
73.04744	2.6
79.05497	27.0
81.07063	100.0
83.08157	2.8
83.08624	35.1
85.06540	4.2
85.10176	3.9
88.07621	3.2
91.05444	17.5
93.07054	34.0
95.04960	2.8
95.08614	87.5
97.06541	11.4
97.10184	20.1
99.08109	3.8
105.07040	14.9
107.08595	24.9
109.06527	3.0
109.10165	41.7
111.08081	4.3
111.11726	7.4
119.08597	17.2
121.10155	32.1
123.08086	2.2
123.11708	23.0
125.09618	2.9
125.13264	2.0
131.08575	2.8
133.10147	20.4
135.11697	14.5
137.09569	1.8
137.13223	8.5
139.11150	3.4
145.10143	2.2
147.11736	11.4
149.13277	15.1
151.11192	2.3
151.14841	9.4
153.12730	2.0
155.14281	1.9
161.13237	12.9
163.14850	16.1
165.12756	2.6
165.16367	7.2
167.14322	2.2
175.14835	11.4
179.14420	2.2
179.17909	5.5
181.15884	2.7
189.16373	7.4
193.15941	2.8
203.17934	2.0
207.17430	1.9
245.22667	51.5
247.24298	2.7
263.23721	42.9
315.16519	1.9
337.27371	26.3
355.28488	6.3
355.33939	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	355.2845
Annotation	MG(18:2(9Z,12Z)/0:0/0:0)[rac]
Peak:m/z	Relative Intensity
53.03946	3.0
55.01872	4.9
55.05514	38.5
57.03447	12.5
57.07079	19.0
63.71279	2.6
65.03937	4.9
65.95889	2.3
67.05512	79.5
69.07072	49.2
70.64505	5.3
71.05002	3.3
71.08639	6.7
79.05505	26.6
81.07062	100.0
83.04971	3.2
83.08624	37.1
85.06525	3.5
85.08889	2.4
91.05444	21.0
93.07047	33.5
95.08611	88.0
97.06525	11.0
97.10178	19.0
98.21067	3.0
99.08131	3.6
105.07043	16.7
107.08611	21.6
109.06487	3.9
109.10163	46.2
111.08092	4.6
111.11723	5.9
119.08600	18.6
121.10167	26.0
123.11703	15.8
123.13944	2.7
129.05502	6.0
133.10153	14.8
135.11688	18.5
137.13264	7.4
139.11162	2.5
147.11682	10.7
149.13263	12.9
151.14848	7.3
161.13222	12.9
163.14821	13.5
165.16449	6.9
175.14856	9.1
177.16359	3.3
189.16345	5.7
245.22647	36.1
263.23740	48.0
281.68042	3.4
337.27457	24.4
343.73129	2.6
355.07111	3.6
355.28366	36.2
356.50049	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.284
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	20.7
55.45459	3.2
57.03432	3.7
57.07054	15.6
61.82846	3.2
67.05510	57.1
69.07074	35.8
70.20218	13.3
70.20588	6.8
71.04980	3.8
71.08636	7.1
77.85011	3.1
78.45160	3.4
79.05483	23.4
81.06596	4.9
81.07059	80.7
83.08604	24.3
91.05487	13.6
93.07056	21.7
95.08601	64.8
97.06532	7.6
97.10152	15.4
105.07022	11.4
107.08582	22.9
107.56027	3.2
109.06416	3.5
109.10168	35.5
111.11724	4.0
119.08581	16.4
121.06485	5.2
121.10139	29.3
123.11689	15.7
127.03059	4.0
131.78294	3.2
133.10130	13.7
133.42332	4.0
134.37430	3.2
135.11678	13.8
137.13287	9.7
141.12653	3.9
147.11676	14.2
149.13310	17.3
161.13257	9.4
163.14832	15.5
175.14822	11.2
188.74174	3.5
189.16371	6.4
245.22723	37.3
263.23724	40.0
337.27301	15.6
355.28223	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2844
Annotation	MG(18:2(9Z,12Z)/0:0/0:0)[rac]
Peak:m/z	Relative Intensity
53.03945	4.3
55.05518	37.9
57.03448	11.6
57.07082	14.2
65.03933	3.1
67.05509	81.4
69.07073	50.6
69.27383	13.2
69.27808	10.8
71.04988	3.5
71.08635	5.4
79.05500	27.1
81.07063	100.0
83.04974	2.3
83.08630	33.5
85.06541	5.4
88.07634	4.7
91.05473	21.2
93.07054	32.5
95.04949	2.6
95.08614	88.4
97.06548	9.8
97.10184	17.0
99.08112	3.2
102.24413	2.4
103.03952	3.5
105.07027	14.7
107.08590	23.6
109.06522	3.2
109.10170	45.1
111.08089	4.6
111.11716	7.5
119.08611	15.9
121.10148	30.5
123.11717	22.5
133.10133	24.9
135.11732	17.1
137.09616	4.3
137.13281	12.0
139.11191	4.1
147.11693	16.2
149.13264	13.6
151.14801	9.7
161.13277	16.7
163.14821	14.5
165.16360	8.6
175.14864	10.4
177.16364	3.7
179.17892	3.8
189.16374	6.6
203.17964	2.8
245.22676	44.1
263.23721	45.2
265.25061	2.6
337.27432	29.9
355.28323	5.7
356.35242	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	355.2843
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	3.1
53.24019	2.5
55.05517	30.4
57.03428	10.0
57.07076	15.7
67.05509	75.1
69.07073	45.8
69.26311	11.5
69.26728	9.4
70.06572	2.9
71.04992	4.1
71.08635	8.2
74.26386	2.8
79.05492	26.8
81.07059	100.0
83.08625	31.2
85.06531	2.9
85.10174	8.7
88.07616	3.4
91.05451	19.6
92.52985	2.4
93.07040	27.7
95.08610	91.7
97.06536	11.6
97.10173	25.6
99.08095	4.7
105.07065	15.0
107.08611	24.2
109.10164	49.1
111.08083	3.7
111.11729	11.7
113.09635	3.3
116.96361	2.5
119.08596	19.9
121.10157	33.8
123.11706	29.3
125.13258	2.3
133.10126	19.5
135.11716	20.3
137.13257	9.7
141.12776	3.0
147.11705	12.7
149.13261	16.2
151.14856	7.2
161.13257	15.5
163.14839	13.1
165.16429	9.0
175.14873	15.5
179.17877	4.6
189.16368	6.9
245.22658	47.2
263.23709	52.4
268.97787	2.9
337.27371	24.8
355.28442	8.9
356.35107	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	355.2484
Annotation	11,12,15-THETA
Peak:m/z	Relative Intensity
53.03956	4.2
55.01878	8.4
55.05519	63.9
56.87652	1.6
57.03451	3.7
57.07068	6.1
58.57647	1.6
59.05005	1.9
66.14114	1.7
67.05511	33.6
69.03429	8.6
69.07080	28.9
69.52986	9.6
69.53387	3.1
71.04973	2.4
79.05490	15.4
81.07072	65.6
83.04996	23.3
83.08617	5.1
85.06549	28.5
91.05481	11.4
93.07054	38.3
95.04987	10.8
95.08615	45.9
97.06543	14.9
97.10184	100.0
99.04408	2.1
99.08107	6.5
101.06039	10.9
105.04444	1.7
105.07037	18.9
107.05013	2.4
107.08611	38.2
109.06547	5.9
109.10171	53.0
111.08096	46.9
111.11746	3.6
112.23441	2.0
113.58270	1.9
115.05515	2.9
117.07022	2.9
119.08591	14.2
121.06525	3.0
121.10152	21.9
123.08078	5.1
123.11716	15.9
123.19908	1.7
125.06037	2.5
125.09655	23.3
128.06189	2.4
129.07104	1.9
131.08540	3.6
133.06551	5.1
133.10164	14.1
135.08063	2.6
135.11708	12.2
137.05981	3.0
137.09627	7.7
137.13268	5.3
139.11212	15.7
141.07007	5.3
143.10701	33.3
144.08125	3.3
145.10150	7.4
147.08070	6.6
147.11745	8.7
149.13307	10.9
151.11198	24.6
153.12820	4.6
155.10716	2.8
157.10132	3.0
159.11743	5.8
161.05962	3.8
161.13313	2.8
163.11235	4.4
163.14882	3.1
165.12772	11.4
167.07065	14.5
167.14340	44.4
169.06529	5.7
171.10268	2.5
171.11705	1.9
175.07579	28.9
175.11140	2.6
175.14883	5.1
177.12793	4.9
177.16112	1.7
181.12230	4.4
183.13931	1.8
187.07848	2.0
187.14859	2.4
189.09033	2.8
193.08614	6.7
193.12314	2.6
193.15846	3.0
199.14803	2.0
201.05527	4.9
201.09114	2.5
201.16367	3.4
203.14449	3.0
213.16376	1.9
219.17456	2.1
221.15448	5.2
239.16481	5.5
242.99619	1.9
273.22165	2.4
283.20563	2.6
291.23242	7.0
301.21683	8.3
319.22711	33.7
325.10858	3.1
337.23798	16.6
355.11697	3.5
355.16431	5.8
355.20856	2.6
355.24744	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2484
Annotation	11,12,15-THETA
Peak:m/z	Relative Intensity
53.03954	3.6
55.01876	21.5
55.05518	73.2
57.03436	4.7
57.07073	5.7
60.25119	2.5
64.72027	2.5
65.03945	4.1
67.05181	2.9
67.05516	40.0
69.03445	15.5
69.07079	40.2
71.04991	7.5
71.51651	4.3
73.04739	3.9
73.06553	2.5
79.05508	26.5
81.03409	3.6
81.07069	95.6
81.32619	2.6
83.04993	25.8
83.08611	6.8
83.56520	2.2
85.02917	2.8
85.06081	4.4
85.06557	54.6
91.05476	28.4
93.07061	53.9
95.04980	18.9
95.08620	69.9
97.06557	22.7
97.10186	98.2
99.04450	4.4
99.08096	9.2
101.06052	11.3
103.05473	4.0
105.07043	35.1
107.04926	6.9
107.08612	59.9
108.08105	6.0
109.06528	12.2
109.10168	74.9
111.04444	4.2
111.08099	100.0
111.11728	5.2
113.06017	2.6
115.05465	8.6
117.07047	11.7
119.05014	3.2
119.08604	30.0
121.06515	8.0
121.10150	31.3
123.04404	7.4
123.08078	8.8
123.11751	17.7
125.05944	3.7
125.09650	26.9
127.07584	3.6
127.11225	3.4
128.06245	5.5
129.07024	7.7
131.04929	5.4
131.08588	6.6
132.05701	5.7
133.06488	8.4
133.10187	22.5
135.08057	9.0
135.11723	24.9
137.06013	12.4
137.09641	17.8
137.13226	6.6
139.07593	5.3
139.11198	23.7
141.06993	9.1
141.09158	3.3
142.07713	2.4
143.08508	2.6
143.10677	32.7
144.08107	25.5
145.06499	6.2
145.10114	10.7
145.18652	2.3
147.04399	12.3
147.08075	22.9
147.11661	11.6
149.06032	2.9
149.09625	3.9
149.13264	17.1
151.03938	3.2
151.07581	6.7
151.11205	34.3
152.36179	2.4
153.12750	8.5
155.10667	5.5
157.10207	5.4
157.12292	4.7
158.07214	2.5
159.08026	3.1
159.11700	10.9
160.05194	6.0
161.05998	11.3
161.09602	3.8
161.13287	7.3
163.11208	15.8
165.09100	4.9
165.12781	16.6
167.07092	45.5
167.14325	20.6
169.06517	16.5
173.13338	4.4
175.07584	80.4
175.11154	2.9
175.14835	10.0
177.12733	4.9
178.07773	3.0
179.10706	33.4
181.06462	3.9
181.12238	7.3
185.06018	2.7
185.13292	3.4
186.06743	4.8
187.07573	5.1
187.14864	2.6
189.07216	3.7
189.09103	8.2
191.07047	6.3
193.04973	4.9
193.08649	22.0
193.12286	7.3
193.15910	3.1
195.13881	3.9
199.07539	3.3
199.14799	3.1
201.05473	6.0
201.09174	7.8
201.16425	5.0
203.14323	5.4
205.06445	3.3
205.15872	4.5
206.07355	3.8
207.08167	3.5
209.09888	3.2
212.12836	4.2
213.16527	2.7
217.15742	3.5
219.08110	4.6
220.05157	2.8
221.05986	3.8
221.15364	9.3
222.06871	5.1
223.16997	2.7
225.09285	3.2
234.06812	4.3
235.07585	6.3
236.08386	4.1
237.09106	7.1
239.07072	3.2
239.16388	7.0
249.09122	2.8
250.06194	4.4
251.07152	6.3
251.16054	2.8
262.06396	3.9
263.07077	5.6
264.07642	3.5
265.08670	14.9
267.06638	3.9
273.22156	3.9
279.09726	2.7
291.09940	2.7
291.23206	12.0
293.08157	9.7
295.09747	3.9
297.11282	5.4
301.21643	13.3
305.08151	4.4
309.11395	4.7
310.08328	3.6
319.22711	46.9
323.09106	5.5
325.10730	33.1
337.10706	4.6
337.23782	30.0
355.11472	5.7
355.16840	38.3
355.20554	10.4
355.24826	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	355.2118
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22834	3.9
51.02394	4.4
55.01877	16.9
55.05516	29.2
56.05049	4.4
57.03444	9.1
57.07061	8.1
59.04995	5.4
63.63949	3.8
67.05516	44.2
69.03439	49.5
69.07069	26.2
70.06588	9.2
71.01369	4.7
71.04998	14.4
71.51054	4.7
72.08144	6.5
73.02926	5.2
73.04749	7.9
79.05495	28.5
81.03423	14.7
81.07053	56.0
83.04987	51.1
83.06108	8.0
83.08618	7.9
84.08150	6.1
85.02905	33.0
85.06540	16.5
86.09708	7.7
87.04519	5.3
91.05482	49.7
93.07043	48.5
95.04980	64.5
95.08607	63.5
96.04513	3.8
97.02889	11.9
97.06551	21.5
97.10163	7.6
98.09659	5.1
99.04469	14.9
99.08104	5.7
102.47181	3.6
103.05482	15.3
105.03385	10.9
105.07047	30.8
106.36703	4.1
107.04964	15.5
107.08615	40.1
109.02910	5.8
109.06525	20.0
109.10165	62.0
111.04456	5.3
111.08092	42.7
113.05981	4.9
115.05444	4.4
117.07025	12.6
119.04962	17.3
119.08601	39.8
120.08154	7.6
120.63817	3.6
121.06510	12.9
121.10152	36.8
123.04430	8.0
123.08099	13.1
123.11703	10.6
124.07655	4.0
125.05994	8.9
125.09617	14.5
127.03889	20.6
129.07016	7.9
130.04161	6.5
130.06512	4.8
131.04947	47.3
131.08548	21.4
133.06454	10.9
133.10143	31.4
135.04454	5.1
135.08070	31.6
135.11694	24.4
137.05997	54.6
137.09639	77.8
139.07597	6.4
139.11165	9.8
141.09081	4.9
142.07703	5.3
143.08568	10.7
144.09120	5.6
145.04974	5.5
145.06551	10.0
145.10124	19.0
147.04417	15.4
147.08104	11.1
147.11703	14.9
149.06001	17.8
149.09586	13.1
149.13272	6.5
151.07549	9.9
151.11174	8.2
153.05383	4.6
153.09062	5.8
155.08530	4.1
155.10619	4.9
156.08113	8.7
156.09328	4.6
157.10170	13.3
158.03658	6.3
159.08075	9.0
159.11757	12.4
161.06029	13.8
161.09673	9.7
161.13278	8.0
162.06828	6.4
163.07527	4.7
163.11169	7.3
165.09157	9.9
165.12723	5.6
167.07083	15.8
171.11653	6.2
173.05997	12.0
173.09590	9.3
173.13326	9.7
175.03923	15.0
175.07524	15.1
175.11218	7.9
175.14828	23.3
177.05569	7.1
177.09087	5.9
179.07086	6.4
179.10672	21.5
186.03107	9.7
186.09151	34.5
187.14827	6.0
189.07079	6.5
189.09064	5.3
189.12732	6.6
191.07031	9.6
191.14412	8.8
193.04953	34.2
193.08551	7.7
193.15895	34.6
196.14522	5.5
201.03914	3.4
201.05493	100.0
201.09135	16.9
202.05980	5.5
203.14317	6.2
205.06485	8.5
205.12341	5.8
206.07265	8.0
217.06450	4.3
217.15854	12.3
219.10115	4.5
221.05986	6.5
221.15541	4.3
222.06750	6.3
232.09723	87.0
233.06084	8.9
234.06752	11.6
235.17010	8.3
237.09105	6.5
245.11816	8.1
249.09207	5.6
250.06364	4.4
251.07071	7.2
262.06229	11.0
263.06970	8.7
277.08728	12.5
279.06491	4.3
285.00940	8.4
290.05780	8.1
292.07660	4.6
293.08099	5.5
294.08627	5.1
295.09604	7.9
299.15045	8.1
301.18030	12.1
305.08167	24.2
307.09570	6.3
319.18817	5.6
323.09109	18.4
325.10757	8.6
327.12357	5.1
337.10654	16.1
337.23819	5.5
355.07840	6.1
355.11819	16.5
355.21201	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	355.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.2
55.05510	0.8
56.96569	0.7
57.93014	0.6
65.03928	0.7
67.05505	2.8
69.03416	0.7
69.76541	3.1
73.04762	1.6
76.49066	0.5
81.03419	0.9
81.26194	0.6
82.06584	6.6
85.02895	1.8
91.05414	1.0
91.05874	0.9
93.07034	1.1
95.04924	0.7
96.04444	0.6
97.02903	0.9
98.06070	1.7
98.21532	0.5
98.97575	0.7
101.41521	0.7
108.08088	1.1
110.05305	1.1
110.06055	18.9
110.06796	1.3
122.06022	1.7
126.05520	8.1
128.07091	2.0
136.07585	58.3
138.05521	3.0
139.01823	0.5
140.07092	1.2
151.67363	0.6
152.07111	1.7
164.07079	100.0
165.07462	1.4
166.05016	0.9
173.03082	0.5
182.08142	76.4
183.08556	0.7
184.05928	0.7
186.09152	0.6
192.03912	1.6
201.05472	1.4
207.75264	0.6
214.08566	0.6
220.90689	0.7
230.08084	1.2
238.57268	0.7
259.10782	1.5
285.00949	1.6
301.11813	1.6
302.10162	1.8
319.12909	2.8
320.11273	1.6
355.06317	0.8
355.10132	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	355.153
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.1
55.01875	3.2
55.05513	6.0
56.96340	1.3
56.96573	15.6
57.03438	11.1
59.04994	4.3
60.95864	10.2
61.02927	6.4
68.68732	1.1
69.03437	21.9
70.06618	1.9
71.01350	5.1
71.04997	3.0
71.14321	2.2
71.14675	1.1
73.02927	9.7
73.04755	3.2
73.06559	7.1
73.53606	1.1
75.94530	1.8
78.43050	1.0
79.05465	1.1
81.03421	6.7
81.07050	1.1
82.99820	1.1
83.04978	1.9
84.04504	1.2
84.08163	2.4
84.96028	4.6
85.02920	38.1
86.03278	1.7
87.04472	5.1
88.04861	1.2
88.95330	2.6
91.03959	2.3
91.05811	3.6
95.04967	1.1
97.02306	2.0
97.02901	22.1
98.03173	1.2
98.97594	57.8
99.04448	4.8
99.97914	4.4
101.00890	7.9
101.02354	1.8
102.96880	100.0
103.03220	1.4
103.03933	1.5
106.96314	1.3
107.04996	1.6
109.02903	3.2
110.01275	1.3
110.97569	7.9
111.04510	1.3
112.99139	4.6
113.00870	2.1
113.02380	4.1
114.96873	10.6
115.03944	2.6
116.98631	13.9
117.98933	1.8
119.01934	6.8
120.97089	1.8
120.97923	28.9
123.05537	1.3
124.03732	2.0
124.99200	1.7
126.97095	1.3
127.03926	7.1
128.98613	6.7
129.01872	3.3
131.00160	4.0
131.01898	4.1
132.97902	5.7
133.01561	1.3
133.04208	3.5
134.99605	3.1
136.06184	2.6
136.07565	1.7
137.06041	1.4
138.05353	2.3
138.98938	4.5
139.04185	1.2
140.00287	1.3
141.01915	1.8
143.00153	3.0
143.01933	7.7
144.98044	2.0
145.01761	1.8
145.05020	10.1
146.99603	3.4
147.03235	1.3
147.04422	2.0
147.05751	6.9
148.06551	2.9
148.97353	1.1
149.01083	2.8
151.02608	1.9
153.03073	1.7
155.00143	1.5
155.01906	2.9
155.04672	2.6
156.97989	2.2
157.03444	5.9
158.99680	13.6
159.03130	2.0
159.05739	1.4
160.00038	2.6
161.01239	1.9
161.02980	5.6
162.98956	36.1
163.05278	5.6
164.07092	4.5
166.02029	1.2
167.02019	1.5
167.07014	2.7
168.05458	2.5
169.03369	1.9
169.07147	5.5
170.99678	2.9
173.01299	2.1
173.02824	1.1
173.06677	1.7
174.99060	4.2
175.02667	6.1
175.05023	7.5
175.08521	1.6
177.00833	7.4
177.02113	1.3
177.02609	1.3
177.04185	12.7
177.05777	2.5
178.01111	1.9
178.04933	4.6
178.55049	2.7
179.02129	4.1
181.00023	20.8
181.01471	1.0
183.08650	2.1
184.05949	11.4
184.55884	1.9
185.01283	1.2
185.02888	1.5
185.06580	1.7
186.03172	1.6
186.04669	10.3
189.00734	1.7
189.02393	1.5
189.04279	1.7
190.04811	2.2
191.02142	1.2
191.05768	1.4
192.04663	2.3
193.03601	9.7
193.06226	5.1
197.03050	2.6
198.07382	2.1
201.00645	1.5
203.03984	1.6
204.09201	2.1
204.95627	1.2
205.05627	1.6
209.03320	2.6
210.07562	1.2
211.04764	1.4
213.04208	1.5
215.02019	1.2
219.01707	6.5
219.05795	1.6
219.07893	9.5
219.58093	2.0
220.02007	1.9
220.05908	1.4
220.08557	1.9
221.05115	1.9
223.01070	9.6
223.06763	7.5
227.04356	1.3
229.05917	1.2
229.07182	1.8
229.09242	15.7
229.59387	2.7
237.02855	6.6
238.03099	1.9
239.04506	4.5
241.02124	11.1
245.05182	2.0
247.04878	1.7
264.11353	3.5
265.03485	2.2
265.07855	2.5
268.97751	1.3
271.01907	1.4
271.04416	5.8
285.01038	3.0
292.07941	4.1
293.10898	1.9
295.06860	24.3
295.12158	2.0
309.08618	4.3
310.08966	8.2
313.07874	58.3
319.12488	8.3
353.07510	1.4
355.08890	21.0
355.14819	2.0
367.10803	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51995	0.6
53.03937	0.9
67.05497	3.9
70.34259	0.7
70.67474	1.9
73.04738	1.1
81.42899	0.6
82.06564	4.8
85.02913	0.9
91.09402	0.7
98.06038	2.2
98.21521	0.7
98.97587	1.1
110.06046	17.5
122.05994	0.8
126.05531	8.1
128.07086	1.9
131.05026	0.7
136.07587	56.3
137.06012	0.7
138.05511	1.7
140.07080	0.9
142.07826	0.7
152.07094	2.9
156.06616	1.0
164.07077	100.0
165.07448	1.6
170.08182	0.7
182.08139	77.5
201.05484	0.9
218.08043	0.8
219.01859	0.7
228.10132	1.1
230.08041	0.9
234.86339	0.6
241.09444	0.7
256.09726	1.5
259.10739	1.9
268.97952	1.0
282.78265	0.7
285.00916	1.4
302.10306	3.0
305.80524	0.7
319.12872	4.7
320.11276	2.1
337.13940	1.8
355.15161	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1296
Annotation	Unknow
Peak:m/z	Relative Intensity
55.45849	0.4
56.05025	1.2
60.66050	0.5
68.79909	0.5
69.03408	0.9
69.07057	0.6
70.62757	1.1
70.63154	1.0
73.04744	0.8
74.98691	0.5
84.97884	0.6
85.02901	1.3
91.05438	0.7
94.06602	0.6
95.06943	0.6
97.02867	0.7
97.06503	0.6
103.05468	15.4
104.05782	0.5
105.06969	0.5
113.69606	0.5
115.05463	1.2
119.06793	0.6
121.02863	0.5
121.06512	0.5
122.06017	1.2
123.06423	0.6
124.03903	0.7
129.07007	1.8
130.06525	7.1
131.04936	65.4
132.05223	0.7
137.05978	0.9
146.06004	1.7
147.04558	0.5
147.06351	1.2
156.08105	15.0
164.07036	0.9
165.07289	0.7
174.05516	6.5
175.03871	1.0
175.05872	11.0
176.09906	0.5
186.09154	50.2
187.09509	1.0
192.06589	3.1
193.05162	0.7
193.06924	5.8
193.08592	0.8
201.05446	2.4
205.04927	1.4
217.04927	0.7
223.05980	0.8
231.06622	0.7
232.09700	100.0
233.10107	2.4
235.05983	1.2
259.05997	1.3
277.07013	0.8
285.01059	0.8
289.07092	1.5
301.07095	0.8
319.08151	0.7
337.09775	0.6
355.12201	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	355.1291
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16626	0.6
53.03942	1.6
55.05507	0.7
56.05021	2.6
60.54507	0.6
67.05496	1.9
67.06561	0.6
69.03423	3.0
71.50475	0.8
79.05503	1.2
81.03414	1.1
81.07056	2.0
83.04968	2.6
85.02890	2.1
87.64758	0.6
91.05471	1.9
93.07053	2.1
95.04983	3.0
95.08620	0.8
97.02898	0.8
98.34190	0.7
99.04459	0.8
103.05474	12.9
105.03397	3.6
105.07019	1.8
107.04909	0.7
107.08617	0.9
109.10163	2.7
115.05443	1.6
115.59264	0.6
119.04945	0.6
119.08592	1.5
123.07989	0.9
124.03960	1.2
125.05943	0.7
127.03935	0.9
129.06998	2.1
130.06540	7.3
131.04941	67.0
132.05302	1.5
133.10098	0.7
135.08058	1.3
135.11703	0.9
137.05991	1.2
137.09625	3.9
145.10062	0.7
145.49869	0.6
146.86450	0.6
147.11700	0.9
149.09622	0.7
151.07506	1.0
156.08102	13.9
157.58537	0.6
161.05962	0.7
179.07054	0.9
179.10657	0.6
186.09155	45.1
193.04977	41.3
193.15889	1.5
194.05432	0.7
201.05397	3.6
232.09702	100.0
233.06113	0.7
233.10039	2.4
237.39565	0.6
304.27454	0.7
343.24335	0.7
355.12619	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.3367
Annotation	Anandamide (20:l, n-9)
Peak:m/z	Relative Intensity
53.03949	0.4
55.05276	0.5
55.05516	8.1
56.05034	1.0
57.05809	1.1
57.07078	9.1
58.02954	1.3
58.06602	14.8
60.04518	2.5
65.03934	0.4
67.05505	5.7
67.66883	0.3
69.07069	12.9
69.24607	3.1
70.02956	1.8
70.06591	5.0
71.04991	1.2
71.08632	6.0
72.04523	1.8
72.08134	0.9
74.06084	1.8
77.59863	0.4
79.05482	1.1
81.06587	0.7
81.07056	9.5
82.06579	1.2
82.07375	0.4
83.04984	0.9
83.08618	8.9
84.04545	0.5
84.08150	4.8
85.10198	3.1
86.06064	4.3
87.04469	0.4
87.06845	1.5
88.03989	0.5
88.07613	0.5
93.07051	1.8
94.06551	0.5
95.08607	11.2
96.08121	0.6
97.06536	1.1
97.10173	6.6
98.06134	0.4
98.09690	1.4
98.20714	0.6
98.21400	1.1
99.11694	0.4
100.07610	0.5
107.08596	1.3
108.08057	0.4
109.09451	0.7
109.10156	6.3
111.11725	4.0
112.07610	0.7
112.11192	0.6
119.08584	0.9
121.10168	0.9
123.08060	0.7
123.11710	3.2
125.13260	1.5
126.48961	0.3
130.08665	0.4
133.10129	0.4
135.11743	0.5
137.09448	0.4
137.13252	1.2
141.09137	0.4
149.13289	0.7
151.14798	0.7
198.22169	0.4
268.30118	1.0
277.28867	0.4
294.31494	3.5
306.31586	2.4
307.29926	2.8
308.33075	2.7
318.31573	0.8
319.29852	0.7
324.32559	1.0
326.34210	3.4
336.32602	14.1
337.31085	1.5
354.33664	100.0
355.34018	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56650	0.9
53.03919	0.9
55.01868	1.3
55.05517	1.3
57.03444	5.3
61.02927	1.9
63.08046	0.7
63.08480	0.8
69.03419	4.1
69.07072	33.8
69.65382	0.8
70.06589	2.3
71.04991	8.8
71.39638	2.1
72.08146	2.0
73.02921	0.8
73.06550	2.4
78.60387	0.8
79.05499	1.6
80.45779	0.8
81.03423	2.2
81.07075	1.2
84.08128	1.4
85.02911	7.9
85.06528	1.5
86.09708	1.5
87.12842	0.9
87.45887	0.8
91.03990	0.8
91.05476	2.0
92.58213	0.9
93.07034	1.0
95.04955	1.6
95.08583	0.9
97.02895	3.2
97.06528	14.5
105.07036	1.3
107.08611	1.6
109.06570	1.0
111.04454	1.0
111.08074	2.6
115.07574	100.0
117.06963	1.0
118.06621	1.3
120.08102	1.2
121.06535	3.0
124.07624	1.1
130.05022	1.2
131.04944	4.8
136.07507	1.1
137.05943	1.0
145.04919	1.4
146.05998	3.0
156.08078	1.4
157.08606	30.5
174.05525	13.8
175.09677	34.8
177.98883	1.1
186.09119	3.5
190.08611	0.9
192.06560	7.5
201.05467	2.3
202.07623	0.9
205.04994	1.1
226.78769	1.1
232.09720	7.2
235.06020	1.5
250.10768	1.8
266.17709	1.1
282.63156	0.9
291.10449	0.9
298.90109	0.9
334.57532	0.9
336.11432	1.1
337.10645	1.2
338.76947	0.9
353.17615	1.0
354.06531	1.0
354.11176	4.4
354.15317	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	354.1186
Annotation	OxIAA-Glc
Peak:m/z	Relative Intensity
51.02406	0.4
52.01860	0.3
53.03944	0.5
55.01868	0.4
56.05030	0.5
57.03425	0.5
61.02915	0.8
67.05504	0.5
67.53233	0.3
69.03420	1.9
69.07092	2.1
69.46351	1.8
70.06591	0.5
71.04980	0.8
72.08205	0.3
73.02908	0.6
81.03381	0.4
83.05057	0.3
83.94680	0.3
84.26662	0.3
85.02909	3.4
87.04469	0.5
91.05491	3.4
94.06036	0.4
94.06587	4.2
95.04975	0.5
97.02887	1.6
97.06522	0.5
99.04476	0.4
100.51792	0.3
103.05453	1.1
104.04983	0.3
105.03439	0.5
105.07028	0.3
107.04993	0.5
115.07574	6.1
117.05716	0.4
118.06558	6.4
122.06037	4.9
127.03867	0.7
130.06566	0.3
131.04941	5.1
134.06024	0.8
136.07578	0.8
145.05092	0.4
146.06027	18.2
147.06796	0.6
148.07552	0.3
150.05518	1.3
156.08089	1.3
157.08656	1.5
162.05486	1.2
164.07083	6.9
174.05524	100.0
175.05992	1.2
175.09694	1.8
176.07004	0.8
186.09143	4.1
192.06573	51.6
193.06900	0.7
232.07619	0.5
232.09743	6.6
336.10767	1.3
354.11859	42.6
355.12549	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2691
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54196	1.4
53.03942	5.9
55.05519	18.7
56.25498	1.3
57.03436	4.7
57.07072	5.7
65.03946	3.4
67.05515	98.8
69.07076	20.1
69.41267	9.8
71.04994	5.1
71.08636	2.5
75.04462	2.8
79.05502	51.6
81.07069	100.0
83.08624	10.2
85.06548	2.4
91.05490	29.0
93.07055	67.3
95.04992	2.9
95.08618	79.0
97.06522	3.6
97.10168	3.6
99.08099	3.5
104.32017	1.2
105.07056	20.9
107.08608	39.0
109.06522	1.6
109.10175	42.2
113.09637	2.7
117.07038	10.5
119.08585	16.5
121.09327	2.6
121.10152	33.8
123.10929	2.5
123.11721	21.4
125.09695	1.7
130.07753	1.6
131.08597	21.2
131.27350	1.3
133.10158	15.0
135.11703	26.9
137.09605	2.1
137.13281	7.4
143.08513	1.5
144.08098	2.6
145.10138	22.3
147.08009	2.1
147.11710	11.5
149.13278	23.1
151.11330	1.5
151.14813	3.3
157.10133	1.8
159.11717	16.8
161.13274	7.9
163.14850	17.5
165.12761	2.0
171.11894	1.5
173.13313	17.8
173.19572	1.4
175.14818	5.7
177.16434	3.6
179.14307	1.3
186.31754	1.6
187.14864	10.9
201.16373	3.5
205.15883	1.7
215.17831	1.7
233.22644	5.3
243.21118	23.6
261.22189	100.0
262.22464	3.0
263.23773	2.1
279.23276	4.6
319.97992	1.5
335.25854	5.5
353.26868	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	353.2687
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.5
55.05518	16.8
57.03421	6.1
57.07070	6.2
65.03932	4.6
67.05508	95.5
69.07058	12.0
71.04980	3.2
71.15701	4.2
71.99055	2.1
79.05497	53.2
81.07063	100.0
83.08611	3.7
91.05482	30.3
93.06487	4.2
93.07053	64.1
93.07641	3.5
95.04990	3.0
95.08615	65.8
97.10181	4.2
99.08140	3.1
105.07034	20.0
107.08605	39.2
109.10169	30.2
117.07024	8.9
119.08582	16.0
121.10152	26.4
123.08037	2.8
123.11710	17.0
131.08585	22.4
133.10118	14.0
135.11720	27.0
137.13257	6.3
141.74402	2.1
145.10139	14.7
147.11716	9.3
149.13261	18.7
151.11145	2.2
153.12663	3.6
159.11732	13.5
161.13287	10.5
163.14835	12.2
165.12744	2.2
173.13293	20.3
175.14813	5.1
177.16342	2.9
187.14848	7.9
222.68147	2.3
233.22649	4.8
243.21056	18.8
261.22156	94.4
262.22504	3.7
314.60013	2.5
335.25745	5.3
353.26859	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	353.2687
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	15.4
57.03423	2.5
57.07066	5.1
62.36104	2.1
67.05509	93.8
69.07075	16.1
69.30344	20.1
71.04983	2.1
75.04465	2.8
79.05495	45.2
81.07062	93.8
83.08607	7.2
83.20289	2.0
91.05486	23.0
93.07048	64.4
95.04990	3.2
95.08611	67.1
97.10137	3.2
98.20724	3.6
105.07034	17.8
107.08601	43.5
109.10155	35.6
117.07005	8.1
119.08595	15.2
121.09350	2.6
121.10151	29.0
123.11697	20.5
131.08598	19.7
133.10124	9.6
135.11705	28.8
137.13261	8.1
139.11176	3.3
145.10088	16.6
147.11682	13.8
149.13258	21.9
151.14839	2.0
159.11670	14.0
161.13271	9.8
163.14839	13.1
173.13290	13.9
175.14775	4.7
177.16405	4.2
187.14842	10.8
233.22572	3.8
243.21095	23.7
261.22153	100.0
279.23209	5.7
291.40045	2.2
335.25787	7.9
353.26907	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	353.269
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03954	3.6
55.05527	15.7
57.03451	5.1
57.07082	4.9
65.03952	4.0
67.05515	89.2
69.07079	14.2
69.44778	15.7
71.08624	2.5
73.27863	2.4
75.04473	2.0
75.69229	2.1
79.05508	35.8
81.07068	100.0
83.04967	2.3
83.08644	7.7
91.05502	17.5
93.07057	51.9
95.05006	3.5
95.08623	71.3
97.06534	3.6
97.10205	2.8
98.20726	2.1
99.08163	2.4
105.07065	15.2
107.08614	36.1
109.10171	36.9
117.07076	10.5
119.08619	11.9
121.10164	29.5
123.11739	22.8
131.08588	17.4
133.10136	14.2
135.11731	30.3
137.13274	9.5
145.10147	17.6
147.11723	9.1
149.13275	18.7
159.11739	17.1
160.50319	2.8
161.13290	6.9
163.14841	11.9
163.77318	2.5
173.13301	16.1
175.14861	3.2
177.16429	4.2
187.14861	9.9
201.16411	4.7
205.15945	2.8
233.22621	2.5
243.21135	22.4
261.22186	92.9
271.94073	2.3
279.23184	6.6
309.01755	2.2
335.25623	10.3
353.26959	24.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2688
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03952	3.9
55.05526	11.9
56.24939	1.5
57.03442	7.9
57.07067	6.1
65.03915	2.3
67.05512	92.4
69.07072	11.5
70.74567	2.9
70.74943	3.4
71.05003	2.5
71.08634	3.5
75.04484	2.6
79.05074	2.8
79.05505	43.0
81.07064	100.0
83.04990	2.4
83.08630	8.5
85.06549	3.0
91.05504	18.6
92.94401	1.4
93.07053	50.0
95.04993	2.9
95.08620	74.3
97.06520	4.9
97.10176	2.5
99.08067	3.2
105.07047	15.8
107.08607	35.9
109.10169	38.0
111.08096	1.8
113.09653	2.5
117.07027	9.5
119.08585	13.9
121.10154	30.2
123.11700	19.7
131.08578	15.7
133.10147	12.6
135.11707	27.8
137.09682	1.9
137.13274	8.8
144.08107	2.2
145.10146	16.4
147.11728	11.8
149.13269	19.5
151.14755	2.7
159.11678	13.9
161.13271	10.9
163.14847	12.6
165.16483	1.7
173.13304	14.1
175.14813	3.7
177.16385	5.2
187.14865	12.9
201.16376	2.4
209.66545	1.6
215.17975	2.3
233.22707	2.4
243.21098	27.7
261.22174	97.1
279.23236	6.9
315.01398	1.5
317.24704	2.0
335.25806	10.9
353.26947	22.0
353.30878	2.3
367.04285	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2689
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03946	4.2
55.05514	15.5
57.03431	5.0
57.07074	5.1
65.03931	3.1
67.05508	94.9
69.07069	14.5
70.12829	5.6
71.05003	2.1
71.08614	1.8
72.50980	1.9
79.05077	3.3
79.05499	41.3
81.07061	100.0
83.08605	8.2
83.20381	1.7
85.06501	1.8
90.69962	1.8
91.05475	25.1
93.06484	3.5
93.07049	55.6
95.04944	3.4
95.08612	73.6
97.06525	2.1
97.10165	3.6
98.20833	2.2
99.08076	2.3
105.07026	15.7
107.08608	36.3
109.10165	36.2
111.08065	2.4
117.07015	5.9
119.08575	15.6
121.10149	32.4
123.08050	3.5
123.11715	22.2
131.08575	21.5
133.10135	15.0
135.08026	2.6
135.11707	23.7
137.09619	3.4
137.13234	6.6
144.08051	2.6
145.10143	13.9
147.11665	11.4
149.13237	19.5
151.14914	2.7
153.12674	2.5
159.11717	15.6
161.13255	9.2
163.14848	11.0
165.12820	2.5
173.13277	16.1
175.14787	2.8
176.20103	2.1
177.16371	4.7
181.81700	1.8
187.14842	10.4
201.16353	3.1
205.15930	2.3
233.22733	3.2
243.21097	20.5
261.22150	76.9
277.85837	1.7
279.23172	6.1
300.88602	2.1
312.30920	1.9
335.25800	8.0
353.26996	15.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2686
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03956	3.3
55.05513	17.0
57.03420	4.6
57.07081	5.2
59.66929	2.6
60.04659	2.5
65.03932	5.3
67.05510	95.9
69.07056	14.1
69.37685	22.4
71.08634	3.8
79.05502	44.8
81.07066	100.0
83.08640	7.3
83.17921	2.9
85.06544	4.1
91.05479	21.3
93.07050	53.3
95.04932	3.4
95.08615	80.4
97.10127	3.6
97.38073	2.9
105.07051	13.1
107.08605	40.2
109.09467	4.0
109.10171	41.1
117.07034	12.2
119.08584	12.7
121.10160	29.0
123.11720	23.1
131.08554	15.4
133.10146	11.6
135.11703	25.5
137.13284	7.0
145.10138	16.5
147.11708	10.1
147.98195	3.2
149.13277	15.1
157.47441	2.7
159.11665	16.8
161.13271	11.1
163.14828	7.3
173.13249	14.4
187.14827	7.2
223.34184	2.8
243.21072	16.3
261.22177	82.4
279.23199	6.4
335.26001	7.2
353.27039	16.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.2483
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.0
55.01871	3.9
55.05497	5.9
56.05039	13.8
57.03419	2.3
58.06594	21.3
60.04531	9.1
65.95287	1.4
67.05177	2.2
67.05508	26.6
68.05810	2.0
69.07066	13.3
70.06587	2.0
70.52916	1.8
70.80790	2.9
70.82790	1.6
71.04994	2.4
71.90594	1.5
75.67522	1.6
79.05502	13.2
80.04995	2.1
80.05808	2.1
80.63979	1.8
81.07058	20.3
82.07391	2.5
83.04969	1.9
83.08614	4.3
83.82973	1.5
84.08121	2.1
85.58530	1.5
91.05489	19.3
92.05798	1.7
93.07050	18.2
95.04954	3.3
95.08157	1.6
95.08618	16.8
97.06541	1.6
97.10181	2.0
97.18910	1.6
100.07623	10.0
105.07025	15.4
107.04944	1.9
107.08617	7.5
108.08134	1.7
109.06529	3.8
109.10172	20.9
110.93901	1.9
111.04450	2.6
111.08083	2.3
117.07021	2.9
119.08590	15.8
120.08929	2.0
121.10163	10.1
123.08085	3.2
123.11695	2.8
131.08578	8.3
133.10152	14.0
135.08102	1.7
135.11667	1.8
136.11182	3.8
137.05975	12.9
137.09636	12.2
138.06340	8.6
143.08554	1.7
145.10110	3.9
147.11668	4.9
148.11998	1.5
149.09596	2.3
154.12279	100.0
157.10132	3.1
159.11700	3.3
161.09615	1.6
172.13336	46.2
173.11713	2.7
173.13345	2.1
180.13812	3.0
187.67809	1.5
196.11604	2.6
196.13332	36.1
204.13925	2.2
214.14397	6.3
222.14926	2.1
232.17828	2.0
239.17990	3.3
250.18872	2.8
257.18985	2.8
275.20096	14.1
278.18286	6.8
292.22800	10.9
293.20947	2.7
334.23898	4.0
352.21332	2.2
352.25012	32.4
352.36823	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2302
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	1.6
61.43446	0.5
64.77320	0.5
66.48763	0.6
67.05493	2.0
69.07060	1.9
71.50499	0.6
77.00920	0.8
79.05492	1.1
81.07050	2.9
83.04973	1.0
85.06535	0.8
91.05454	2.0
93.07026	1.4
95.04958	1.9
95.08627	2.7
95.09217	0.6
97.06470	0.7
97.10167	1.6
105.03390	1.6
105.07011	1.8
105.07730	0.6
107.08569	1.4
109.10130	1.6
111.08046	0.9
119.08561	1.9
121.10187	0.6
123.08041	1.0
123.11707	0.6
126.90188	0.6
129.07011	0.7
133.10117	1.1
137.09616	3.8
145.10124	0.9
149.09627	0.6
151.11163	0.8
157.10045	1.0
163.11218	1.0
177.12561	0.7
185.09592	0.7
211.88071	0.6
215.11273	0.8
237.14975	0.9
253.12712	1.0
277.08212	0.6
321.11084	0.9
335.21741	1.4
353.22980	100.0
354.23227	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	12.0
56.05030	3.9
57.03445	5.0
57.07086	6.2
59.05025	4.9
60.04525	13.5
62.06093	3.9
67.05511	20.8
68.68247	2.8
69.03429	7.8
69.07077	16.0
71.04988	10.7
71.50962	5.3
72.08159	10.4
79.05534	4.1
79.15929	2.8
81.03429	4.8
81.07057	11.8
83.04993	3.1
83.08627	20.6
84.08159	6.6
85.02917	18.2
85.06554	21.1
86.09715	3.3
91.05486	24.3
93.07046	5.7
95.04953	6.2
95.08606	9.4
105.07043	10.7
107.08618	6.5
109.06544	4.8
109.10173	45.8
111.08083	4.3
113.05979	20.6
114.37603	3.0
118.06537	8.8
119.04970	5.1
119.08580	5.8
120.08105	8.2
122.05993	4.3
127.03908	3.7
127.07594	4.3
129.09135	38.7
129.73561	2.8
133.10077	3.5
136.07605	14.6
137.09615	9.3
145.10139	4.4
148.06216	8.2
148.07492	4.8
149.08003	4.3
155.10678	68.9
158.47815	3.0
159.06619	3.0
159.11366	13.6
166.08606	6.0
167.09068	3.5
171.11684	4.0
173.08229	4.4
173.11745	100.0
178.08630	7.5
185.08302	5.3
190.05046	5.4
194.08229	4.0
195.08553	7.7
202.08754	7.5
202.10876	8.6
206.08090	5.7
220.11949	24.1
248.09161	19.7
264.12350	6.6
288.10803	4.7
289.44400	3.4
352.12177	6.2
352.15964	15.6
352.26910	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	351.2635
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01596	7.6
52.73920	7.6
67.05503	13.7
69.07076	14.7
69.49763	15.8
69.50171	48.1
72.68293	7.7
79.05495	17.8
81.07067	16.2
84.60589	7.5
91.05499	14.5
93.07059	20.0
95.08630	18.7
105.07051	17.7
107.08581	13.6
133.10158	13.1
137.06000	100.0
151.67657	8.0
184.07315	11.3
250.78290	7.8
270.27261	9.0
307.21021	8.2
356.31644	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	351.2532
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81870	7.2
53.03928	9.1
55.05517	43.6
56.42688	8.5
57.03440	24.2
57.25648	9.3
67.05510	90.6
69.07063	32.1
69.25499	19.4
69.25905	59.3
71.04992	6.8
71.08637	41.0
72.08165	9.0
79.05496	85.7
81.07061	100.0
83.04967	16.7
83.08617	11.9
85.51781	6.7
91.05478	66.3
93.07052	94.0
95.04958	16.0
95.08618	70.9
97.06522	18.3
97.10223	11.1
98.21484	13.3
99.08092	24.1
105.07023	59.1
107.08614	60.1
109.06527	11.7
109.10159	43.6
119.08568	58.7
121.10142	40.2
123.11739	17.3
125.09585	8.9
131.00021	12.0
131.08604	19.7
133.10146	50.0
135.11713	48.5
145.10143	14.6
147.11700	32.5
149.13298	25.1
151.11130	21.5
157.10123	13.8
159.11758	19.1
161.13290	25.5
163.11220	7.6
163.14758	7.3
171.11714	10.2
173.13127	14.7
175.14815	8.8
179.14365	67.4
185.13257	7.4
241.19617	15.6
259.20599	45.4
277.21674	35.6
319.09348	9.5
333.13904	10.9
351.15628	15.0
351.25516	56.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2536
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	5.8
55.01875	6.4
55.05523	20.5
57.03438	9.2
57.07077	6.7
65.03943	5.1
67.05518	55.8
69.03441	4.8
69.07072	23.5
71.04987	4.6
71.51414	3.8
75.89714	3.0
79.05502	70.7
81.07064	77.9
83.08617	4.7
85.06536	6.1
91.05495	61.7
93.06484	5.8
93.07059	100.0
95.05002	6.4
95.08616	43.8
97.06524	5.5
97.10184	5.9
99.08093	4.9
103.05446	4.4
105.07048	65.3
107.08604	60.7
109.06520	12.5
109.10160	18.0
111.04424	7.3
111.08117	4.4
113.09636	4.4
117.07034	15.0
119.08597	53.8
121.10156	53.4
123.11741	4.4
129.07011	9.8
131.08569	23.5
133.10159	56.1
135.08066	8.0
135.11694	45.9
137.06009	42.2
143.08586	11.9
145.10156	24.6
147.08104	5.8
147.11719	54.0
149.09668	4.5
149.13284	28.4
154.53667	3.3
155.08496	3.4
157.10106	12.7
159.11743	25.1
161.09660	4.5
161.13298	37.6
163.11224	5.5
163.14803	12.8
171.11691	15.7
173.13252	8.0
175.11188	4.9
175.14838	23.8
185.13290	15.3
189.12750	9.9
199.14870	10.8
207.13786	4.2
217.15915	4.4
217.19472	4.1
231.17422	8.4
231.21024	8.5
241.19518	37.4
241.33580	3.6
249.18573	4.1
259.20602	90.9
277.18008	15.5
277.21725	14.8
333.24237	9.5
351.17252	3.4
351.21600	12.3
351.25336	67.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2531
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12994	5.7
55.05500	15.0
56.96548	5.1
57.03418	9.9
57.07060	13.4
67.05513	52.6
69.07079	25.9
69.41545	11.4
69.41969	24.2
70.26427	4.2
71.08615	14.0
73.21788	4.5
75.42014	4.4
79.05501	73.4
81.07062	66.6
83.04972	7.2
83.08596	14.6
85.06518	5.2
89.06023	12.5
91.05495	59.8
93.06484	8.6
93.07045	90.3
95.08616	49.1
96.90990	5.0
97.10100	4.6
98.21506	9.4
99.08098	8.1
105.07024	61.0
107.08603	58.4
109.06495	11.8
109.10197	25.0
117.07016	18.3
119.08575	57.6
121.06448	6.2
121.10169	51.6
123.08045	5.2
123.11687	4.8
126.42200	4.1
129.07004	13.7
131.08578	26.6
133.08604	7.1
133.10146	54.1
133.58870	4.6
135.11681	45.8
143.08557	6.5
145.10100	25.3
147.11690	51.2
149.13298	35.0
157.10115	9.0
159.11720	23.1
161.13255	38.0
163.14832	12.5
165.12708	9.5
171.11700	18.2
173.13249	18.7
175.14828	20.6
177.12733	5.2
185.13289	13.2
199.14803	9.0
213.16353	6.0
231.21075	9.1
241.19557	34.7
259.20596	100.0
277.21548	21.1
289.21570	12.8
333.24258	14.8
351.25360	88.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2532
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	29.3
57.03439	34.7
57.07100	5.3
67.05511	66.6
69.07076	29.5
69.20938	6.5
69.31119	5.3
70.09343	23.9
79.05498	77.4
81.07065	82.0
82.39472	5.7
83.08624	20.7
85.06547	7.1
91.05487	55.5
93.07053	100.0
95.08604	57.9
97.06509	6.4
99.08109	9.3
105.07026	62.3
107.08606	62.0
109.06486	6.5
109.10149	35.4
111.08076	10.4
117.07027	19.2
119.08592	52.9
121.10162	43.4
123.11719	12.1
129.07056	9.0
131.08588	30.0
131.12724	5.7
133.10141	50.8
135.11685	43.4
143.08563	12.4
145.10123	19.9
147.08287	5.4
147.11671	41.8
149.13263	25.4
157.10184	8.8
159.11699	18.1
161.09622	7.2
161.13240	26.6
162.54256	6.1
163.11153	8.6
163.14803	6.1
171.11775	11.0
173.13277	16.1
175.14854	18.1
183.29875	6.3
185.13354	16.4
187.14716	9.0
199.14723	6.5
217.19473	8.2
241.19542	22.9
259.20599	77.5
277.21643	26.4
298.09744	6.3
328.84485	6.0
333.24301	10.9
348.49097	5.8
351.25235	66.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2529
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.2
55.01868	1.5
55.05510	12.8
57.03438	3.0
57.07067	4.8
59.26241	1.4
67.05510	41.5
69.07072	13.8
71.04992	3.3
71.19920	1.5
71.51241	2.0
75.04492	1.5
79.05495	53.9
81.03432	1.8
81.07062	50.9
81.07533	3.1
83.08618	6.2
85.06535	4.2
87.73883	1.6
91.05486	57.3
93.07048	74.9
95.04966	4.8
95.08610	32.2
97.06522	3.6
97.10169	3.3
99.08098	4.2
105.04509	2.2
105.07032	61.4
107.08600	47.9
107.09202	0.9
109.06572	2.0
109.10159	13.3
111.08085	1.7
113.09649	2.7
117.07018	15.1
119.08584	63.8
121.10150	29.9
123.08048	2.5
123.11716	4.9
125.09640	2.0
128.06166	2.7
129.07010	10.8
131.08574	23.3
133.10133	56.4
135.08130	1.7
135.11694	31.9
137.09650	2.7
143.08559	11.2
145.10135	23.7
147.08081	1.5
147.11697	52.1
149.09671	2.2
149.13271	18.7
155.08598	1.5
157.10187	11.9
159.11716	21.6
161.09666	1.8
161.13260	37.2
163.11230	2.8
163.14813	5.9
165.12738	2.7
171.11676	15.2
173.13277	11.5
175.11247	2.5
175.14832	21.5
177.12688	3.4
185.13275	17.4
187.14845	3.2
189.12794	3.2
199.14757	7.2
201.16359	1.7
213.16475	3.3
215.17960	2.1
217.15771	2.2
217.19482	2.2
231.17432	2.4
231.21086	9.7
232.34027	1.5
241.19496	31.1
259.20587	100.0
260.20932	3.7
277.21698	4.1
333.24521	1.8
335.40070	1.3
351.21725	2.5
351.25345	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	351.2171
Annotation	Thromboxane A3
Peak:m/z	Relative Intensity
53.03949	2.0
55.01852	2.7
55.05517	59.7
57.07071	1.8
67.05523	6.6
69.03442	10.0
69.07074	17.9
71.04980	2.9
76.25143	0.8
79.05511	6.1
81.07059	9.4
83.05003	4.9
83.08612	2.7
84.46025	1.0
85.06550	12.8
87.08092	0.9
91.05477	5.4
93.07048	6.5
95.04967	6.4
95.08616	9.6
97.06523	2.9
97.10180	100.0
99.04404	1.1
101.06058	1.2
105.07035	5.6
107.04959	2.3
107.08600	9.0
109.06526	6.4
109.10165	8.8
111.04453	27.3
111.08101	3.6
113.06014	1.8
117.06991	1.6
119.08607	6.6
121.06521	13.8
121.10136	4.4
123.08076	2.9
123.11735	2.3
125.06000	2.0
125.09653	20.3
129.05492	1.9
131.08577	3.5
133.10097	3.5
135.08067	15.1
135.11694	3.4
137.09616	4.8
139.07536	1.0
139.11179	2.7
141.09105	1.8
143.08682	1.2
143.10683	29.3
143.11790	1.5
145.10124	3.1
147.08032	2.3
147.11668	2.4
149.09641	11.5
151.07518	2.4
151.11179	1.6
153.09119	3.8
153.12740	2.3
157.10118	1.2
159.08162	1.2
159.11693	1.8
161.09589	3.3
161.13243	1.5
163.11185	15.4
165.09134	2.8
167.10701	1.8
171.10176	2.6
175.11218	1.3
175.14851	2.5
177.12775	1.6
179.10695	4.4
181.12270	12.2
189.09003	2.0
189.11214	1.9
189.12767	1.6
191.10721	1.8
195.10202	3.9
201.12654	1.3
203.14354	1.1
207.13889	2.1
217.12279	0.9
217.15881	1.7
223.13190	1.5
245.15477	1.5
245.90474	1.0
262.76657	0.9
263.16479	4.4
287.19949	2.1
288.58255	1.1
291.10135	1.4
297.18753	1.0
305.21179	3.6
315.19626	7.2
319.09796	2.9
333.20627	17.0
351.12433	3.8
351.21704	50.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2529
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71045	2.1
53.03941	6.2
55.05508	21.8
57.03436	12.0
57.07064	5.2
65.94500	2.6
67.05506	58.5
69.07082	20.9
70.66036	6.3
71.04993	3.5
71.08633	2.4
78.68720	2.3
79.05497	71.3
81.03403	2.4
81.06593	4.2
81.07060	76.1
83.04964	5.4
83.08618	10.3
85.06554	6.9
91.05486	60.0
93.04745	2.4
93.07052	100.0
95.04958	6.5
95.08616	56.7
95.22034	2.3
97.06548	3.8
97.10172	4.5
99.08092	5.9
103.05496	2.5
105.07038	64.2
107.08599	67.5
109.06490	3.2
109.10162	18.1
111.08051	3.4
117.07025	13.8
119.08591	63.8
121.10159	53.1
123.08043	3.0
123.11686	5.3
125.09684	2.7
129.07001	10.3
130.07771	2.8
131.08583	24.8
133.10139	54.1
135.08055	3.1
135.11696	50.3
135.85193	2.6
137.09653	4.1
137.35965	2.3
143.08617	11.4
145.10132	28.4
147.10532	3.5
147.11696	58.8
149.09648	2.9
149.13275	33.6
151.11226	4.5
157.10114	11.6
159.11720	23.3
161.13254	43.5
163.07657	2.2
163.11162	4.9
163.14838	10.1
171.11694	17.4
173.11975	2.4
173.13277	12.1
175.11203	5.3
175.14835	23.0
176.15062	2.5
179.14316	2.3
181.12152	3.1
185.13251	13.4
189.12741	3.9
189.16269	2.7
197.97874	2.4
199.14885	12.1
201.16389	2.9
203.14339	5.1
213.16397	4.9
217.19513	4.4
231.17412	6.4
231.21107	11.1
241.19525	41.2
242.19917	3.3
259.20590	97.2
260.20914	2.7
277.21722	16.5
333.24182	8.0
351.25363	73.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2144
Annotation	4,4-Difluoropregn-5-ene-3,20-dione
Peak:m/z	Relative Intensity
51.63008	0.5
53.52082	0.4
55.05502	1.4
58.11063	0.4
63.29728	0.4
63.41657	0.4
67.05502	1.1
69.03412	0.8
69.07092	1.0
69.93520	2.0
71.04234	0.4
79.05509	0.5
81.07050	1.8
85.06558	0.7
91.05497	0.5
95.04977	0.5
95.08591	1.0
97.10165	1.9
107.08579	1.0
109.06516	0.5
109.10204	0.6
111.04433	0.7
121.06541	0.5
121.10140	0.5
133.10147	0.9
135.08066	1.0
143.08585	0.5
143.10684	0.8
147.11668	0.4
149.09650	0.6
163.11223	0.8
191.10661	0.4
215.11223	0.7
217.12538	0.5
269.75580	0.5
271.13837	0.7
319.09598	0.9
333.20444	1.3
351.21417	100.0
352.21814	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2168
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.6
53.06665	1.2
55.01866	4.4
55.05516	56.0
57.03423	1.4
57.07053	2.1
58.44083	1.1
67.05504	9.4
69.03445	6.8
69.07082	15.9
71.04988	2.4
71.18230	1.4
71.18549	2.1
79.05500	9.3
81.03410	1.3
81.07059	10.5
83.04967	3.1
83.08631	2.6
84.08145	1.6
85.06549	14.7
86.09711	1.3
87.08086	1.3
91.05487	8.9
93.07050	10.7
95.04961	9.2
95.08630	9.6
97.02904	1.2
97.06535	3.4
97.10178	100.0
105.07050	11.2
107.04944	3.9
107.08593	12.7
109.06533	5.8
109.10179	5.9
111.04446	25.7
111.08115	1.5
113.05995	2.4
115.05426	2.4
117.07024	2.2
119.08595	8.8
120.08097	1.3
121.06519	23.7
121.10141	5.2
123.08056	3.8
123.11721	1.4
125.06000	1.7
125.09636	17.2
129.05479	1.3
129.07027	1.8
131.04857	1.5
131.08591	3.4
133.06473	1.8
133.10147	4.3
135.07123	1.8
135.08070	24.7
135.11711	3.3
137.09583	2.7
139.11131	1.4
142.07886	1.6
143.08539	1.8
143.10681	34.2
145.10103	6.9
147.08115	1.8
147.11693	4.0
149.09686	2.8
151.07559	2.2
151.11165	2.4
153.09137	1.4
157.10197	1.4
159.08076	2.0
159.11717	3.7
161.09592	5.5
161.13280	2.0
163.07535	1.7
163.11212	20.2
165.09175	1.1
171.10181	2.8
171.11681	3.4
172.05449	1.2
173.09619	1.6
173.13225	2.0
175.14799	1.6
176.61960	1.2
177.09090	1.4
177.12718	2.0
179.07042	1.1
180.24855	1.0
181.12250	14.9
183.11635	1.3
185.09683	1.2
187.11153	1.2
187.14822	1.3
189.07001	3.4
189.09021	2.3
189.11200	2.1
189.12737	1.5
190.07784	2.8
191.08604	2.2
191.10583	1.6
201.16403	1.5
202.07756	7.3
203.08623	5.5
203.14449	1.3
205.06535	3.7
215.08571	2.4
218.07298	2.6
219.08035	9.1
219.11377	1.1
219.13760	1.4
220.08817	4.2
223.13289	2.1
229.06512	1.6
230.07326	6.8
231.08095	11.3
232.08690	3.3
233.06001	2.9
233.09531	1.6
237.09131	1.3
237.14781	1.7
240.90976	1.2
242.07297	1.8
244.08784	1.6
245.05975	2.2
245.09544	2.5
246.06752	5.5
247.07617	11.3
248.08304	10.8
249.08972	1.9
249.14949	1.3
258.06790	4.8
259.07626	9.8
260.08347	5.1
261.05453	6.6
261.09213	2.5
262.06320	2.3
262.09879	1.6
263.10678	2.7
265.08597	4.4
273.05850	2.3
273.09082	18.2
274.06369	2.9
274.09680	1.1
275.07077	8.3
276.07800	17.5
277.08585	6.2
287.20126	2.3
289.04990	3.1
289.08566	9.3
290.09348	14.4
291.10168	14.4
293.08102	3.4
297.18442	1.6
301.08521	8.3
303.06458	1.4
304.07318	12.5
305.08115	9.6
305.21210	1.7
309.96942	1.2
315.19360	6.4
319.09671	95.2
320.10358	16.5
321.07541	2.0
323.12631	2.4
333.20605	11.2
336.09842	1.6
351.12329	37.8
351.21686	63.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2016
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	6.9
55.05507	10.8
59.04996	8.0
62.10971	4.0
64.65041	4.4
66.91337	4.2
67.05495	16.4
68.75934	5.4
69.03411	18.2
69.07059	17.3
70.06593	11.3
71.04993	31.0
72.08157	10.8
79.05478	17.3
81.03421	9.2
81.07067	41.5
83.08611	10.3
85.02901	20.5
85.06530	19.1
91.05487	20.6
93.07050	41.5
95.04971	7.5
95.08600	18.8
97.02876	7.6
97.06545	37.6
105.07037	29.0
107.04953	8.1
107.08594	32.1
109.06504	6.8
109.10178	21.3
111.08127	4.9
117.76820	4.5
119.04816	4.6
119.08570	14.7
120.08083	7.2
121.10139	5.8
123.08047	5.8
123.11720	17.0
127.11185	13.3
131.08632	5.9
133.10133	32.6
135.11671	39.8
136.06158	18.9
137.05939	6.1
138.09111	9.3
139.38933	4.7
141.07043	4.7
141.12770	45.5
143.08548	5.6
145.10060	7.7
147.08031	6.3
147.09212	4.9
147.11649	6.2
148.06198	7.5
153.12752	90.8
155.08557	5.2
159.11687	5.8
161.09625	12.5
161.13287	5.2
166.08710	4.5
171.11644	7.3
171.12300	6.2
171.13808	100.0
175.99367	57.8
189.12759	12.2
189.14870	53.5
196.25188	5.3
218.10303	8.9
219.10786	22.8
220.12013	11.1
231.02827	12.2
291.13297	18.2
308.16257	5.9
333.10532	5.3
351.11938	11.1
351.15378	12.2
352.15915	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	351.2016
Annotation	6,7-Dihydroxydihydrolinalool 3-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
55.01874	6.9
55.05507	10.8
59.04996	8.0
62.10971	4.0
64.65041	4.4
66.91337	4.2
67.05495	16.4
68.75934	5.4
69.03411	18.2
69.07059	17.3
70.06593	11.3
71.04993	31.0
72.08157	10.8
79.05478	17.3
81.03421	9.2
81.07067	41.5
83.08611	10.3
85.02901	20.5
85.06530	19.1
91.05487	20.6
93.07050	41.5
95.04971	7.5
95.08600	18.8
97.02876	7.6
97.06545	37.6
105.07037	29.0
107.04953	8.1
107.08594	32.1
109.06504	6.8
109.10178	21.3
111.08127	4.9
117.76820	4.5
119.04816	4.6
119.08570	14.7
120.08083	7.2
121.10139	5.8
123.08047	5.8
123.11720	17.0
127.11185	13.3
131.08632	5.9
133.10133	32.6
135.11671	39.8
136.06158	18.9
137.05939	6.1
138.09111	9.3
139.38933	4.7
141.07043	4.7
141.12770	45.5
143.08548	5.6
145.10060	7.7
147.08031	6.3
147.09212	4.9
147.11649	6.2
148.06198	7.5
153.12752	90.8
155.08557	5.2
159.11687	5.8
161.09625	12.5
161.13287	5.2
166.08710	4.5
171.11644	7.3
171.12300	6.2
171.13808	100.0
175.99367	57.8
189.12759	12.2
189.14870	53.5
196.25188	5.3
218.10303	8.9
219.10786	22.8
220.12013	11.1
231.02827	12.2
291.13297	18.2
308.16257	5.9
333.10532	5.3
351.11938	11.1
351.15378	12.2
352.15915	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	351.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20862	0.6
60.57012	0.6
69.03430	1.0
70.89212	1.8
72.23388	0.6
81.07056	0.9
85.02927	0.7
91.05502	1.0
92.21568	0.6
93.07053	0.7
107.04990	0.8
108.00816	0.6
111.08059	0.7
114.05554	0.7
118.06522	0.8
119.08585	1.1
136.07587	0.8
137.06036	1.0
175.08652	0.8
199.08727	2.3
200.09470	7.0
201.10237	8.6
202.10963	0.8
203.23129	0.6
213.10255	9.6
214.11063	5.9
215.11824	18.6
216.12540	0.9
217.09830	1.1
219.11308	10.6
226.10999	1.6
227.11833	0.8
228.12656	3.0
231.11313	2.2
233.12819	1.1
241.09731	2.6
241.13409	5.0
242.10526	10.3
243.11281	1.9
245.09277	1.8
254.10565	2.1
255.11359	1.3
256.12061	3.6
259.10938	3.4
260.11563	3.7
261.12558	0.9
269.12796	4.6
274.13159	1.5
277.11838	4.0
287.13831	3.3
297.12311	7.2
300.11200	2.9
312.59836	0.8
315.13400	21.5
316.13760	1.1
333.10962	1.6
333.14456	19.0
351.15561	100.0
352.15845	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	351.1231
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.8
55.01865	1.7
55.05517	17.4
57.03437	0.7
67.05498	2.6
67.27197	0.6
67.41138	0.6
69.03437	3.2
69.07085	6.2
70.57090	1.4
70.57411	0.7
71.04993	1.1
74.28982	0.6
79.05482	2.9
81.07083	3.8
83.04971	1.4
85.06555	4.4
87.08134	0.8
91.05493	3.8
93.07053	3.6
95.04979	3.0
95.08633	3.6
97.06554	1.3
97.10184	33.9
98.21447	0.6
99.04513	0.7
102.55177	0.6
105.07011	3.3
107.04948	1.9
107.08594	5.3
109.06527	2.0
109.10183	2.0
111.04459	8.5
111.08077	0.9
116.83773	0.6
117.07042	1.2
119.08590	3.3
121.06519	7.5
121.10178	1.4
123.08064	0.8
125.09646	6.1
127.03900	0.7
129.06970	1.1
131.04933	1.4
131.08533	2.2
133.06451	1.5
133.10136	1.8
135.08066	7.3
135.11687	1.3
136.84195	0.6
137.09642	1.0
143.10695	9.5
145.10143	3.4
147.08040	1.0
147.11757	1.2
149.09621	2.0
151.07510	0.7
151.11192	1.3
153.09065	1.1
157.10143	1.4
159.11716	1.8
161.09576	1.3
163.11186	7.1
165.07062	0.8
171.10210	0.8
173.09647	0.7
173.13286	1.1
175.14862	0.8
178.07861	1.1
179.10701	0.9
181.12234	4.7
185.09528	0.8
189.07034	1.9
189.09100	1.2
189.11200	1.1
190.07767	2.0
191.08609	2.4
191.10658	0.7
199.07578	0.9
202.07828	7.2
203.08655	4.6
204.09233	0.8
205.06525	2.3
205.12430	0.9
206.07298	1.1
207.13899	1.1
215.08595	2.4
217.06558	0.9
218.07256	3.1
219.08058	8.2
219.13687	0.8
220.08910	3.6
229.06596	1.5
230.07266	6.8
231.05782	0.7
231.08075	12.9
232.08815	2.6
233.05977	3.5
233.09590	1.4
235.07506	0.7
237.09123	0.8
237.14891	1.0
242.07312	1.7
243.08223	1.3
245.06035	2.4
245.09712	1.7
246.06818	5.9
247.07568	12.2
247.09924	0.8
248.08383	10.9
249.09154	2.0
258.06750	6.1
259.07547	10.0
260.08374	5.9
261.05557	6.0
261.09125	2.6
262.06296	1.6
262.09961	1.3
263.06842	0.8
263.10709	3.1
263.16412	0.8
265.08633	3.5
266.06055	0.7
273.05981	1.3
273.09113	18.4
274.06302	3.0
274.09506	1.4
275.07043	7.5
276.07870	19.3
277.08618	7.3
287.07080	2.1
288.07846	1.0
289.05045	2.5
289.08643	10.2
290.06058	1.2
290.09412	12.6
291.10184	13.0
293.08118	3.4
301.08606	9.6
303.06516	2.2
304.07333	15.1
305.08115	9.4
307.09668	0.8
308.10379	1.5
315.19458	1.6
318.08917	2.0
319.09680	100.0
320.10416	16.9
320.14188	0.7
321.07385	0.9
323.12851	2.3
333.20596	3.9
336.09967	2.8
351.12305	35.7
351.21658	20.5
352.12680	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03973	1.0
55.01900	1.4
55.05518	7.3
57.03467	0.7
65.03967	0.8
67.05504	4.3
69.03448	3.3
69.07079	3.5
71.05016	1.6
71.51420	0.9
79.05514	4.8
81.07064	5.6
83.05017	1.9
83.08622	0.9
85.06585	3.0
91.05488	5.0
92.05840	0.7
93.07043	6.6
95.05019	3.0
95.08604	9.1
97.06558	1.3
97.10172	9.3
99.04479	1.1
103.05502	1.0
105.07045	6.5
107.05019	2.2
107.08599	5.1
109.06574	2.6
109.10178	3.5
111.04506	3.0
111.08131	2.5
113.05991	0.9
116.29490	0.6
117.07076	1.8
119.05004	1.0
119.08577	4.2
121.06563	2.9
121.10208	2.7
122.17651	0.7
123.08127	2.6
125.09695	3.1
128.06219	0.9
129.07069	1.3
131.04958	1.1
131.08632	2.7
133.06505	1.2
133.10196	3.0
135.08052	4.1
135.11754	2.3
137.06071	1.9
137.09654	1.6
139.07576	1.3
139.11285	0.7
141.06952	0.8
141.09132	1.4
143.08661	1.2
143.10732	2.4
145.10141	5.9
147.04472	1.1
147.08139	1.2
147.11748	2.0
149.09691	1.8
151.07582	1.5
151.11241	0.9
153.09152	1.0
156.09302	0.8
157.10124	1.3
159.08147	0.9
159.11713	3.6
161.09628	1.3
161.13344	1.2
163.11186	8.1
165.12743	1.1
169.10249	1.4
173.09695	1.3
173.13368	1.7
175.07709	0.8
175.11214	0.8
177.09258	0.8
181.12286	1.8
187.11241	1.6
187.14864	1.2
189.07074	1.2
190.07782	1.7
191.08632	1.9
191.10770	3.8
192.09258	0.9
199.07544	0.9
201.16501	0.8
202.07768	7.2
203.08623	5.0
203.14308	0.8
205.04852	0.8
205.06451	3.4
209.11699	0.9
215.08630	2.6
215.10631	1.4
217.06659	1.2
218.07278	4.0
219.08138	7.2
220.08856	4.1
229.06622	0.9
230.07310	6.6
231.08073	13.4
231.10236	1.0
232.08797	3.2
233.06018	3.1
233.09641	1.4
233.11731	1.6
234.06770	1.8
235.07520	0.7
237.09039	0.7
242.07370	1.2
243.08139	1.3
244.08842	0.8
245.06076	1.9
245.09666	1.9
246.06754	3.9
247.07555	10.7
248.08325	10.2
249.09071	1.4
250.06181	0.7
257.05710	1.0
258.06796	3.9
259.07578	8.7
260.08337	4.7
261.05511	5.9
261.09064	2.6
262.06232	2.3
262.09915	1.0
263.07230	0.7
263.10764	3.1
265.08603	3.1
273.05673	2.0
273.09103	17.1
274.06326	3.4
274.09720	1.2
275.07016	6.9
276.07825	19.3
277.08517	5.8
280.07285	0.7
287.07086	2.1
288.07764	0.8
289.05011	3.0
289.08621	9.6
290.06152	1.5
290.09372	13.5
291.10153	14.1
293.08044	4.1
295.06531	0.8
297.18494	0.7
301.08585	8.7
303.06531	1.8
304.07297	14.5
305.08069	8.6
305.17749	0.7
308.10443	1.7
315.19431	1.6
318.08853	2.7
319.09665	100.0
320.10364	14.5
321.07623	0.8
323.12799	1.4
333.20621	4.2
336.09985	2.8
351.12259	39.3
351.17395	1.3
351.21509	7.1
352.12567	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.0966
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88021	0.4
56.96299	0.6
56.96573	9.8
58.69283	0.4
69.03439	0.7
69.22735	4.0
71.01350	0.8
71.95250	0.8
81.03448	0.4
84.96045	2.7
85.02917	1.6
97.02903	1.1
98.97594	100.0
101.19456	0.4
107.02352	0.4
110.97583	10.4
112.99150	1.3
116.98630	16.0
124.99163	0.9
126.97079	0.7
127.00702	1.7
128.98601	3.8
129.02240	0.9
130.34561	0.4
130.77635	0.4
131.00182	0.9
134.99695	1.0
140.98628	1.6
143.00201	1.5
144.98141	0.8
145.01767	1.1
146.99687	0.8
147.03287	2.3
152.98619	1.4
155.01886	0.5
156.98170	0.5
158.99672	37.5
161.01257	0.4
163.02730	0.7
165.04355	0.4
170.99677	2.3
171.03304	5.0
175.02745	0.6
177.00737	10.5
189.00694	0.8
189.04341	5.0
195.01756	0.5
197.12866	0.5
201.00723	2.7
207.05382	1.2
217.45587	0.5
219.01776	10.6
231.05434	2.0
237.02855	5.8
249.06543	0.8
291.07523	22.5
293.10742	0.5
309.08588	46.7
310.09085	1.4
332.10263	0.6
351.09653	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	351.1188
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	4.7
55.05507	1.0
65.03933	0.9
67.05505	2.0
69.03423	1.5
69.07070	1.1
71.51536	0.8
79.05486	2.2
81.07073	1.0
85.02893	0.8
91.05479	1.7
93.07066	0.9
95.04970	1.5
99.04423	1.1
105.07043	1.7
107.04919	0.8
107.08607	1.0
108.04501	0.9
109.10137	0.8
110.06041	0.9
119.08573	1.6
120.08139	0.9
121.10148	1.1
122.05984	0.9
127.35745	0.7
138.05481	1.4
138.72055	0.8
140.07007	1.1
140.76105	0.7
145.06516	0.8
150.05539	5.2
153.05539	1.0
156.08090	1.1
166.05075	1.6
171.05605	0.9
172.07445	0.8
175.08658	1.4
185.07132	1.8
187.08691	1.4
191.08195	0.9
198.09279	1.7
199.08691	6.4
200.09453	9.2
201.06589	2.3
201.10246	9.9
203.08145	1.2
213.06665	3.4
213.10249	12.0
214.07384	3.1
214.10979	7.1
215.08511	4.1
215.11807	23.5
216.12610	1.3
217.06120	2.8
217.09720	5.4
219.07718	2.5
219.11304	11.0
226.11028	2.2
227.04578	1.1
227.08174	5.0
227.11777	2.4
228.08936	1.1
228.12563	3.3
231.07605	2.6
231.11327	3.3
231.13533	1.0
232.08479	3.5
233.09207	1.9
237.06566	1.1
241.06059	1.6
241.09772	14.7
241.13429	5.2
242.06880	2.4
242.10527	12.0
243.07657	2.2
243.11337	2.3
245.05624	1.3
245.09224	8.4
251.08295	1.6
254.10530	1.1
255.07649	8.5
255.10336	0.9
255.11276	1.0
256.12131	4.8
259.07187	1.8
259.10837	8.5
260.07898	3.8
260.11578	5.0
261.08667	2.0
261.12375	0.9
263.10376	1.2
269.09238	10.6
269.12808	5.4
271.10828	2.4
272.11588	1.2
273.08749	7.8
274.13058	1.1
277.11868	3.2
282.10004	1.0
287.10287	13.7
287.13928	3.9
289.11771	2.2
291.09793	2.7
297.08746	9.9
297.12366	9.1
300.11008	3.1
305.11331	3.1
315.09750	37.0
315.13409	22.5
316.09875	0.9
333.10791	78.0
333.14499	23.1
334.10785	1.1
351.11786	65.1
351.15555	100.0
352.12030	1.9
352.15891	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.0967
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11782	0.3
56.96300	0.5
56.96570	9.0
68.96595	0.4
69.03435	0.9
69.86593	0.4
70.02329	1.1
71.01373	0.9
71.95269	0.7
72.99635	0.4
73.02907	0.5
80.61079	0.4
83.69234	0.4
84.96040	2.6
85.02910	1.7
97.02888	1.0
98.97591	100.0
110.97578	10.7
112.99118	1.9
116.98633	17.0
119.01774	0.3
124.99117	1.3
126.97102	0.6
127.00744	1.3
127.03887	0.4
128.98610	4.3
129.02283	0.8
131.00214	0.7
134.99696	1.3
140.00206	0.7
140.98604	1.6
143.00195	1.4
143.01950	0.6
144.05525	0.4
144.98100	0.9
145.01768	1.5
145.04967	0.5
146.99693	0.5
147.03305	2.6
152.98622	0.9
158.99673	44.1
161.01353	0.5
161.02910	0.4
163.02834	0.6
165.04411	0.9
170.99664	1.8
171.03317	6.3
175.02740	0.8
177.00723	14.6
189.00761	0.7
189.04355	6.7
190.04875	0.5
195.01726	0.5
201.00716	2.1
201.04190	0.4
207.05455	0.9
219.01794	13.1
219.05179	0.7
231.05444	2.0
237.02835	6.8
249.06447	0.5
254.03786	0.5
291.07532	20.3
293.10855	0.4
309.08591	49.7
310.09055	1.0
332.10245	0.5
351.09686	17.9
352.10025	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.0779
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01431	2.2
56.96575	21.0
69.03427	4.6
70.18337	8.7
70.99883	2.1
72.08178	2.8
81.03409	1.8
82.99865	4.8
84.96055	3.1
85.02899	3.4
91.39880	2.3
97.02924	3.7
98.20844	2.6
98.97597	100.0
101.00893	38.1
102.96921	2.1
103.00688	3.3
103.02470	2.9
106.16648	2.0
110.92744	2.0
110.97577	7.3
112.99165	6.7
113.00906	4.6
115.02440	6.6
116.98631	39.8
118.03548	3.0
119.01934	34.0
124.99144	5.3
127.02443	9.1
128.98627	5.6
131.00166	5.6
131.01930	8.9
133.03465	13.2
134.99648	9.7
137.03000	2.6
139.02417	7.4
141.05074	3.5
143.00169	6.3
143.01912	21.3
145.03464	21.8
155.00305	2.4
155.01924	12.0
157.01015	2.3
157.03473	34.4
158.99669	4.2
159.03375	1.9
161.01218	5.5
161.03067	15.7
162.99298	4.0
163.04649	1.9
167.02220	2.9
169.01039	6.3
169.03380	2.9
171.01404	3.2
173.01280	5.7
173.03006	11.9
175.04550	16.1
177.00867	6.1
179.00752	7.5
179.02293	16.2
180.00932	2.5
180.98976	1.9
181.00531	7.5
181.03320	2.0
182.09741	2.1
183.01459	15.9
185.02950	11.9
187.04398	4.6
189.00742	2.4
189.02451	9.1
190.05020	4.0
197.03214	7.7
201.00888	3.4
201.02489	35.3
203.00894	12.3
203.04050	25.5
205.00557	8.5
213.01067	3.1
215.04077	3.8
219.02040	11.3
221.01563	16.2
221.03378	8.2
221.05176	20.1
223.01634	12.7
223.06642	8.9
225.06721	3.3
229.07028	2.3
231.01918	7.6
231.03708	7.2
232.01765	2.9
233.03511	3.2
236.49573	3.2
237.02968	5.6
239.04431	33.9
243.03734	19.0
244.02031	2.3
245.05208	30.8
250.93126	6.3
252.00935	6.1
255.02037	3.3
257.03476	4.3
259.03418	2.3
261.03323	12.3
263.06171	21.4
268.94034	11.0
271.03470	2.4
272.98483	2.7
273.03308	7.5
274.97433	3.0
277.04407	3.1
280.08670	2.8
285.04608	3.4
291.02390	4.3
291.05667	12.0
293.00168	2.5
296.99307	2.4
299.97522	2.1
302.05872	10.2
303.05676	11.0
307.05518	3.9
308.05753	2.7
309.05383	39.4
327.02441	2.8
327.06519	16.4
333.04437	4.8
333.11438	4.1
334.04211	2.7
351.07233	14.1
351.12497	23.0
351.16653	4.2
354.68933	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	350.145
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	4.9
56.96562	11.4
57.03430	5.6
61.02924	4.4
65.03933	9.9
68.99782	4.4
69.03426	10.0
69.62082	7.8
69.62493	15.3
70.06582	10.8
71.01352	5.2
71.04988	8.2
72.08154	5.2
73.02916	4.1
81.07077	3.6
83.04996	8.6
84.08070	4.2
84.96042	7.9
85.02907	33.6
86.06037	3.4
86.09721	4.5
87.04469	3.6
93.03416	5.4
93.07063	3.3
94.90658	3.5
95.08569	3.4
97.02901	13.0
98.20742	4.4
98.97599	7.9
107.62887	3.8
109.02885	5.0
110.97584	5.1
111.04457	34.6
117.07064	3.5
119.04951	3.4
120.08063	5.2
123.73997	3.8
125.06032	3.3
127.03896	8.6
137.05975	3.8
139.03920	81.9
140.94403	3.4
145.05037	5.5
158.08075	4.4
171.06549	100.0
171.08029	4.7
172.11238	4.1
180.10208	6.0
188.12737	7.9
217.08354	3.8
272.41132	3.6
350.14725	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	350.2904
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03971	0.7
55.05519	5.0
56.05044	5.0
57.03447	1.5
57.07089	0.8
60.04536	100.0
67.05512	9.6
68.05038	0.7
69.03454	1.2
69.07087	3.6
70.06606	1.3
71.05010	0.8
71.51891	0.9
72.04539	0.9
74.06100	2.1
79.05507	4.8
80.05039	1.4
81.03475	1.0
81.07063	10.7
82.06599	1.9
83.05000	2.5
83.08630	2.3
85.06547	0.9
86.06087	0.6
90.05565	1.4
91.05495	3.1
93.07049	5.4
94.06584	1.5
95.05010	1.1
95.08612	10.1
96.08140	0.9
97.06557	0.6
97.10194	1.6
102.50030	0.6
105.07062	2.3
107.08613	3.6
108.08152	1.1
109.06535	1.1
109.10195	4.1
111.08124	0.8
117.07072	1.0
119.08630	2.1
120.08144	0.8
121.06548	0.8
121.10172	2.7
123.11745	2.3
131.08591	0.7
133.10161	1.9
135.11694	2.2
137.09627	0.8
139.11160	0.6
140.03394	1.3
145.10249	1.2
147.11652	1.1
149.13361	0.9
159.11740	0.8
178.56091	0.8
193.40932	0.7
217.76161	0.7
219.90674	0.6
234.22318	0.8
248.23859	1.6
252.23332	1.7
254.21196	0.9
260.23834	2.5
261.22354	0.8
266.24976	1.1
270.24335	1.0
272.22189	1.8
277.83112	0.7
278.24866	6.2
287.05460	1.1
288.25250	1.4
290.23312	0.9
296.25888	12.8
314.26956	8.6
314.30450	1.0
319.09698	1.6
332.27972	14.8
350.29059	72.4
351.12238	1.1
351.29465	1.5
361.02493	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	349.2739
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
55.05507	5.5
57.07077	4.7
63.08712	0.9
67.05518	6.7
69.07075	9.5
69.71780	0.9
71.04973	1.6
71.08618	3.3
71.51485	1.1
79.05495	3.6
81.07057	10.0
83.08601	2.7
83.57712	0.9
84.35181	0.9
85.06529	2.7
89.43936	1.0
91.05484	3.1
93.07038	3.8
95.04963	0.9
95.08619	9.3
97.06508	1.4
97.10157	1.1
99.08100	1.8
100.23313	1.0
105.07018	4.2
107.08588	5.1
109.06521	17.3
109.10139	3.5
111.08064	1.8
119.08585	4.8
121.10145	2.6
122.07304	2.0
123.08067	48.2
123.11657	1.5
131.08598	2.0
133.10109	2.4
135.08061	4.8
135.11708	2.2
137.09607	2.9
145.10059	1.1
147.11751	1.1
149.09564	1.7
149.13243	1.2
161.13246	1.1
167.14262	0.9
173.13295	1.6
179.14313	72.2
233.18997	1.3
275.20047	2.0
293.21048	10.6
331.26300	3.4
349.27399	100.0
350.27753	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	349.274
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
52.54421	0.4
55.01873	0.8
55.05518	6.8
57.03434	0.7
57.07069	1.9
61.63293	0.5
66.33078	0.5
67.05509	5.1
69.06725	0.9
69.07073	9.9
69.57085	3.3
71.04994	1.1
75.07912	0.5
79.05501	4.9
81.07062	9.4
83.04993	1.1
83.08633	3.6
85.06549	0.7
91.05479	1.9
93.07047	4.5
95.04966	0.6
95.08614	8.7
97.06528	1.9
97.10163	0.6
98.21102	1.9
99.08075	0.7
105.07031	2.8
107.08611	5.8
109.06528	11.5
109.10160	3.1
111.08086	1.8
112.25166	0.5
119.08572	3.1
121.10152	3.5
122.07312	0.9
123.08078	70.3
123.11724	1.7
124.08396	0.9
131.08609	0.7
133.07904	0.5
133.10146	2.2
135.08067	5.5
135.11719	2.0
137.09639	4.6
137.13268	0.6
145.10176	1.2
147.11705	2.2
149.09631	1.1
149.13234	2.0
151.11206	0.8
159.11745	0.8
161.13281	0.6
163.11182	0.7
163.14745	0.6
165.12746	0.8
167.14363	0.8
175.14989	0.7
176.28992	0.5
177.12849	0.6
179.14319	13.4
193.16002	0.6
233.19012	0.7
260.00558	0.5
269.16611	0.5
275.20108	2.2
280.46252	0.6
289.25275	0.6
293.21143	16.9
307.22852	0.7
331.26349	4.1
349.27402	100.0
350.27771	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2743
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
53.03951	0.8
53.75994	0.5
55.01866	0.9
55.05522	5.7
57.07081	2.3
57.31259	0.5
61.65874	0.4
67.05516	5.7
69.06736	0.6
69.07082	9.7
70.74265	1.4
71.05004	1.0
71.08628	1.5
73.11873	0.6
79.05505	4.6
81.07069	8.5
83.04991	0.9
83.08633	4.1
85.06557	0.6
91.05502	2.4
93.07059	5.5
95.08622	7.7
97.06553	1.7
97.10181	0.7
100.41296	0.6
105.07039	4.0
107.08627	5.5
109.06536	13.9
109.10171	4.2
111.08098	2.1
119.08597	4.2
121.10171	3.4
122.07322	1.5
123.08090	63.4
123.11739	1.5
124.08441	0.8
125.09663	0.6
131.08594	0.9
133.10170	2.7
135.08060	5.3
135.11720	1.7
137.09627	3.5
145.10168	1.2
147.11714	2.0
149.09689	1.7
149.13293	1.7
151.11194	0.6
159.11771	1.0
165.12732	0.9
167.14365	0.6
177.12856	0.7
179.14343	30.6
193.15964	0.8
233.19125	0.9
250.97134	0.5
275.20050	1.5
281.21164	0.6
289.25232	0.8
293.21182	13.9
306.47711	0.5
307.22720	1.0
328.28497	0.6
331.26404	3.8
349.27432	100.0
350.27795	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1988
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	2.4
65.03927	1.1
67.05499	3.2
69.07064	2.3
70.06593	0.8
70.85096	2.4
72.01191	0.7
79.05485	2.9
81.07059	4.0
83.08634	1.3
84.08126	1.1
91.05508	5.1
93.07041	3.0
95.04932	1.1
95.08609	3.4
97.06552	1.2
98.97582	0.8
103.05457	1.2
105.07040	3.9
106.68564	0.8
107.08602	2.4
109.06515	1.2
109.10152	1.8
117.07024	1.7
119.08590	3.1
121.10157	1.9
123.08070	2.0
125.09619	1.5
129.07025	1.7
131.04936	2.3
131.08560	2.7
133.10141	3.0
135.08096	1.0
135.11749	0.9
141.06950	1.0
145.10153	2.3
147.11723	0.9
149.09622	1.3
159.11732	2.0
193.08372	0.8
207.78525	0.9
215.08595	3.1
219.08267	1.1
219.10197	3.8
233.09630	2.0
257.19061	1.5
260.08371	1.8
261.09164	1.7
275.19934	1.5
285.09085	1.2
321.70187	1.0
331.18335	0.9
331.22443	1.0
349.19870	100.0
350.20258	2.7
357.10416	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2739
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
51.69857	0.3
53.03926	0.7
55.01856	0.5
55.05513	2.8
55.09027	0.3
57.06795	0.4
57.07074	4.5
67.05513	4.0
69.07078	3.9
71.04966	0.9
71.08636	2.7
71.24956	0.7
79.05145	0.3
79.05500	3.6
81.07063	8.4
83.04971	0.4
83.08606	1.3
85.06548	2.6
91.05500	2.1
93.07059	4.0
95.04955	1.2
95.08617	7.1
97.06528	0.9
97.10178	0.8
99.08110	1.9
105.07040	3.6
107.08610	3.7
109.06525	19.6
109.10171	2.6
111.08086	0.9
117.06989	0.8
119.07928	0.3
119.08603	3.2
120.91101	0.3
121.06514	0.6
121.10155	3.1
122.07296	1.9
123.08076	29.7
123.11674	1.0
125.09611	0.5
131.08571	1.2
133.10153	1.6
135.08070	3.1
135.11685	1.2
137.09604	1.2
137.13254	0.8
139.11169	0.3
142.07727	0.3
144.09305	0.4
145.10086	1.6
147.11697	0.7
149.09602	0.7
149.13277	0.7
157.10101	1.1
159.11697	1.2
161.09607	0.4
161.13248	0.9
167.14331	0.6
169.10112	0.4
171.11755	0.6
173.13313	0.7
175.14851	0.4
179.14320	100.0
180.14714	1.3
183.11739	0.5
185.13307	0.6
187.14917	0.4
193.15862	2.7
205.15840	0.5
233.18916	0.6
293.21124	1.3
303.26749	0.5
331.26379	3.3
349.27423	78.8
350.27777	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.0535
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	16.4
61.02919	13.5
65.53027	4.8
68.00674	5.0
69.03427	28.7
69.94659	21.9
73.02920	7.6
81.03407	8.1
85.02908	51.6
88.33728	5.1
97.02896	21.6
98.97585	45.2
101.00882	21.7
113.00839	7.9
119.01908	17.4
127.03918	8.6
131.01875	7.7
141.03050	8.1
145.03432	5.5
145.04964	7.0
157.03523	9.4
173.02892	7.0
177.04164	24.4
177.54315	10.8
178.04420	7.6
179.02290	13.3
186.04663	24.1
186.54845	17.0
192.04741	36.6
194.07137	22.0
205.05521	11.9
219.01918	6.6
223.06651	14.4
239.04338	13.5
247.06654	6.9
255.30579	6.0
258.06921	10.8
258.57016	9.9
259.06674	11.2
267.57559	6.8
268.08063	15.3
290.04279	5.8
310.23868	5.8
349.05246	100.0
349.10577	72.6
352.11511	6.0
373.96774	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	349.1395
Annotation	Achillamide
Peak:m/z	Relative Intensity
55.01866	1.5
60.04519	1.2
67.05476	0.7
69.03432	0.7
69.07060	0.7
71.05000	0.7
71.39309	1.2
72.08167	0.6
78.56816	0.6
79.05503	0.9
81.07027	1.0
84.08134	0.6
85.02875	0.7
91.05495	1.3
93.06990	1.3
94.06573	0.7
95.08609	1.0
105.07017	0.7
107.08630	1.1
109.10146	1.2
112.05466	0.5
118.92618	0.6
119.08578	0.8
122.06034	0.8
123.11661	0.8
133.10092	0.5
135.08049	0.9
137.06030	1.0
141.09058	0.7
151.03931	1.5
152.07027	0.9
156.10225	1.1
162.05499	0.8
164.07051	0.6
171.09172	1.0
175.08694	2.9
177.06573	0.9
178.08698	3.0
182.08325	0.9
183.09181	1.4
187.08678	1.6
188.10806	0.6
196.09962	1.3
197.10808	1.2
199.08682	3.5
200.10735	0.7
201.06447	0.6
201.10262	1.1
203.11809	0.6
203.37123	0.6
207.06461	0.7
211.08690	3.6
211.12338	2.2
212.09242	0.7
213.10220	1.5
215.08102	3.3
215.11699	3.4
217.09729	14.2
225.06607	0.7
225.10231	2.3
226.11005	1.9
227.11809	1.2
229.09694	2.9
229.13297	0.6
230.10452	1.0
231.11252	3.0
239.08189	1.1
239.11801	6.3
241.09686	1.0
243.07671	1.0
243.11360	6.6
245.09195	0.8
245.12958	0.9
249.10184	0.6
253.09705	1.3
255.11417	1.4
257.09268	3.4
257.12778	3.3
258.09940	1.4
259.10852	1.5
261.12360	0.7
267.11304	7.4
271.10825	6.5
273.12320	2.9
275.10300	1.3
285.12357	9.9
287.10257	0.9
287.13849	0.9
289.11819	3.3
295.10794	7.0
299.10196	1.1
301.11826	0.9
303.13443	4.7
313.08380	0.7
313.11823	16.8
319.12912	10.5
321.14517	1.2
322.17426	0.6
331.09241	1.0
331.12872	21.0
349.13956	100.0
350.14291	1.9
351.94733	0.6
370.26410	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.2748
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12465	8.9
51.25977	8.1
55.05506	31.1
57.03431	9.3
67.05513	97.3
67.41459	11.0
69.07053	17.7
69.74500	49.6
71.04970	9.1
71.08639	9.7
75.64675	11.1
79.05477	27.0
81.07072	53.4
83.08617	24.7
91.05481	31.4
93.07053	29.8
95.08617	26.5
97.02925	8.6
97.10165	18.2
105.07054	11.2
107.08616	20.3
109.10168	86.1
121.10134	14.5
125.09675	11.9
133.63573	8.0
135.11714	17.1
149.13280	13.9
151.11214	9.4
154.19971	9.2
155.10695	32.0
157.10167	12.7
163.14726	9.1
173.11758	100.0
189.11226	22.8
195.13820	36.8
213.14917	19.9
277.21741	48.7
282.48273	9.5
295.22635	22.2
358.45383	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	348.2746
Annotation	Broussonetine M1
Peak:m/z	Relative Intensity
53.03947	0.8
55.05510	3.6
56.05046	4.4
57.03433	0.7
60.04531	100.0
63.98176	0.7
65.03954	0.6
67.05512	9.7
69.03459	1.2
69.07083	3.0
70.06616	1.1
71.44569	0.5
71.52090	1.2
72.04523	1.5
74.06094	1.8
79.05498	9.0
80.05029	2.0
80.42535	0.7
81.03418	0.8
81.07065	11.2
82.06594	2.4
83.04984	1.0
83.08636	1.8
84.04461	0.6
84.08180	0.7
85.06554	1.4
86.06093	1.1
90.05563	1.7
91.05488	5.2
93.07051	8.3
93.99873	0.6
94.06586	1.8
95.04994	1.0
95.08615	7.9
96.08151	1.4
97.06513	0.9
97.92957	0.6
100.07652	1.1
100.11296	1.8
105.07045	3.5
107.08595	5.1
109.10177	3.4
112.07598	1.2
117.07037	2.0
119.08582	3.5
121.06548	1.1
121.10171	2.6
123.08059	1.3
129.07036	1.2
131.08594	2.1
133.10185	3.0
135.11737	1.9
145.10162	1.9
147.11707	2.2
157.10156	0.9
159.11711	0.9
161.13293	1.3
171.11765	0.7
175.14908	1.1
182.15501	1.0
203.17923	0.9
210.14886	1.2
218.66257	0.7
250.21735	0.8
252.19775	0.7
258.22293	1.0
268.22864	1.2
275.15506	0.6
276.23260	2.8
286.23779	1.6
288.21887	0.8
294.24329	5.7
312.25339	8.5
330.26401	17.0
348.08194	0.9
348.27469	71.7
349.27875	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1493
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.5
55.01862	3.7
55.05509	2.2
55.89826	1.6
57.03453	8.1
60.50452	1.3
67.05491	2.8
69.03423	6.3
69.74278	3.9
69.74679	7.6
70.06599	2.5
72.08147	4.6
75.04482	3.1
79.05483	2.6
80.13951	1.5
81.03440	2.0
81.07054	2.4
84.08147	3.9
85.02898	7.2
85.06564	1.9
86.09704	3.3
91.05473	9.8
93.07038	3.2
95.04970	2.8
95.08611	2.6
97.02910	3.6
98.20822	1.9
103.05460	2.5
105.07056	3.6
107.04980	4.8
109.02886	1.9
109.06519	2.3
117.07057	1.5
118.06545	2.8
119.04919	5.7
121.06519	17.8
123.04427	2.6
127.03954	2.1
129.07074	2.3
129.10303	2.3
133.02852	3.3
133.06488	2.0
134.03658	4.8
135.04399	4.7
136.07530	1.7
137.05991	28.4
138.06308	2.8
141.06993	5.2
145.06378	1.6
147.04433	5.9
148.07570	1.5
149.05988	30.8
149.09749	1.6
150.06752	5.4
151.03925	2.8
151.07547	20.9
152.06152	7.6
153.07014	27.6
162.06760	1.9
163.07552	2.1
165.01839	3.3
165.07028	5.2
167.07190	1.7
167.08633	4.7
168.05682	2.8
169.06500	11.1
170.07303	4.0
171.08159	2.1
177.07021	2.3
177.09148	2.0
181.06493	35.5
182.07181	4.6
183.08072	2.9
185.09999	2.4
185.11755	2.1
187.07549	3.3
193.04973	4.3
195.08104	7.2
196.05136	2.2
197.05966	19.1
198.06758	6.1
201.09082	1.9
207.04420	10.5
209.05954	10.1
209.07831	2.9
210.06735	2.7
211.07552	17.3
212.08324	3.0
213.09142	25.7
214.06210	2.3
215.07076	3.6
223.07597	3.3
225.05444	9.6
226.06310	2.2
227.06955	1.7
227.10718	2.2
229.08627	4.6
239.07043	6.7
241.08617	32.8
243.06506	2.9
255.10207	4.4
257.08203	2.3
258.08905	73.6
270.09036	2.0
271.09677	8.6
272.10458	100.0
273.11249	44.8
299.09201	3.3
311.12909	2.6
314.11417	1.9
329.10342	3.6
347.12781	10.0
347.16751	17.9
355.20959	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1492
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.4
55.01875	3.3
57.03451	10.7
60.28362	2.0
65.03925	2.0
67.05501	2.4
69.03420	6.6
69.40192	1.8
70.06598	3.1
71.05009	2.7
71.51117	2.5
71.51501	2.0
72.08161	6.1
75.04496	4.5
75.76110	1.9
79.05500	4.5
79.09913	1.7
81.07064	3.1
83.04974	2.0
84.04517	2.8
84.08154	4.2
85.02924	8.4
86.09718	3.4
91.05492	12.5
93.07044	4.6
94.04221	2.1
95.04993	4.4
97.02893	4.0
103.05475	4.7
105.06971	1.6
106.86909	1.8
107.04938	5.6
109.06541	2.5
111.48300	1.8
113.02413	2.3
115.05462	2.0
118.06561	2.7
119.04943	5.5
121.06494	14.3
122.03661	2.2
123.04442	3.1
124.05188	2.5
127.03946	2.6
134.03622	2.1
135.04431	4.4
135.08119	2.0
137.05983	32.1
141.07008	3.8
145.06485	3.2
147.04396	4.2
149.06001	35.2
150.06680	3.0
151.03918	1.9
151.07553	23.4
152.06230	9.8
153.07007	34.1
163.07507	2.5
165.07024	6.4
167.07181	1.9
167.08607	5.1
169.06488	12.2
170.07314	5.3
173.12993	2.1
175.07568	3.0
177.09186	2.1
180.05721	2.8
181.05032	2.8
181.06487	45.5
182.07249	2.1
183.08043	4.9
185.07277	2.3
186.11186	2.0
187.07567	2.6
193.04970	4.5
195.08076	6.0
196.05243	4.4
197.05994	20.8
198.06766	8.1
199.07515	2.3
207.04445	11.7
209.06061	13.4
211.07585	21.1
213.09106	29.0
215.06998	2.6
223.07549	3.4
224.04683	2.0
225.05434	7.3
226.06215	2.5
227.07016	2.3
227.10635	2.2
229.08673	4.7
239.07071	7.3
241.08574	33.1
243.06552	1.9
245.11761	2.6
251.58797	1.7
255.10262	2.1
258.08923	81.4
271.09695	13.2
272.10455	100.0
273.11209	42.5
296.49673	2.0
299.09167	6.3
311.12567	2.3
314.11359	4.0
329.10367	5.3
347.12842	9.1
347.16730	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	347.1338
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58147	5.9
57.03444	6.9
60.04530	88.5
61.02916	5.8
61.04866	7.1
65.03955	9.4
67.05501	18.0
69.03417	16.3
69.07104	5.6
70.06602	12.3
71.51351	7.3
72.08157	15.4
79.05502	23.0
81.03418	14.4
81.07046	26.8
81.07490	6.1
83.04951	7.1
84.08112	7.8
85.02902	21.0
91.05474	31.0
93.07037	23.5
94.04224	8.9
95.01290	7.2
95.04966	16.8
95.08595	20.2
99.04473	6.3
105.07043	19.1
107.04971	9.6
107.08613	20.8
109.06508	10.2
114.27844	6.0
115.05379	7.3
117.06988	12.6
119.04955	14.1
119.08590	17.9
121.06497	30.2
121.10139	16.5
123.04475	6.9
123.08120	6.9
124.07592	13.3
125.06023	38.5
125.53317	6.4
131.08545	9.6
133.10121	13.8
135.04460	12.3
135.08054	11.6
137.05975	86.0
145.10168	14.3
147.04446	16.0
147.11720	11.0
149.05994	28.6
150.06744	18.0
153.05460	55.5
154.06226	18.2
163.07474	10.5
170.05792	42.6
173.13248	17.4
178.04967	11.5
181.06425	9.1
185.08142	100.0
193.04979	26.1
197.08116	9.4
223.07680	6.8
273.11353	9.7
297.07672	9.4
299.09076	22.1
311.10202	7.9
329.10843	20.7
329.24957	8.2
344.62827	7.2
347.12186	29.2
347.15991	11.5
347.26129	90.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.124
Annotation	Miraxanthin-V
Peak:m/z	Relative Intensity
55.01880	6.1
55.05511	1.8
60.04532	1.0
67.05508	2.8
69.03436	1.0
69.07069	1.7
69.41910	4.5
69.42334	1.7
73.02918	0.9
79.05501	1.9
81.07061	3.0
83.04987	1.6
84.83521	0.8
86.09724	1.0
91.05492	2.1
93.07043	3.4
95.05000	1.5
95.08578	1.4
105.07052	2.8
107.04972	1.1
107.08611	2.7
108.04556	0.9
108.69948	1.0
109.10140	1.3
110.06026	1.4
115.05437	1.2
117.07022	1.2
119.08625	2.3
120.08102	1.4
121.06541	1.2
121.10183	1.8
124.07626	1.1
130.06683	0.8
131.08607	1.6
133.10123	2.1
134.06009	1.3
135.00104	0.8
135.05487	1.2
135.08025	1.5
137.02390	1.1
137.57820	0.9
138.09171	1.9
139.03917	1.4
139.09492	2.3
142.12270	1.6
145.10095	1.6
147.11697	1.5
148.07564	0.9
149.09613	0.9
151.03923	1.1
152.03404	1.8
153.01849	3.3
153.05563	1.3
156.08107	1.0
160.03970	1.9
162.05528	1.2
167.07179	1.2
168.08066	1.4
169.10210	0.9
171.04437	1.1
171.09274	1.6
171.74323	0.8
176.07115	1.2
178.05014	3.9
182.09741	1.3
184.07643	1.2
185.07166	2.7
185.10727	2.6
187.05029	3.0
191.14305	1.4
196.07686	1.0
197.07129	1.9
198.07779	1.2
199.08704	6.2
201.06691	4.5
201.10281	1.2
205.06139	1.5
209.07217	1.6
209.10526	1.1
210.09135	2.8
211.08755	2.6
213.06682	10.8
213.10281	6.0
213.12093	1.1
215.11888	1.3
223.08656	0.9
226.08575	0.8
227.08206	9.4
227.11830	3.7
228.06738	1.2
229.09706	3.7
230.05907	1.3
231.07709	5.3
237.10298	3.4
238.08650	2.6
239.08246	2.5
239.11668	1.0
241.09860	8.4
243.07652	0.9
245.09227	3.2
251.08064	1.8
255.07683	15.6
255.11336	9.7
257.04355	0.9
257.09256	2.3
257.12869	2.0
258.05298	3.9
259.10748	1.1
265.09738	5.9
266.08090	2.1
267.07782	2.6
269.09253	12.6
269.11899	1.5
273.08765	4.2
273.12076	1.6
275.13824	1.5
283.10776	30.3
284.09256	1.5
286.04733	3.6
287.05551	1.2
287.10220	5.8
293.09244	9.5
301.11829	5.6
302.04556	1.2
303.05133	2.6
311.10275	53.6
312.10742	1.3
314.04074	1.2
315.04971	1.2
317.02954	1.2
319.12860	2.7
329.11331	95.5
329.18167	3.8
330.11664	2.7
331.04504	7.7
332.05179	1.4
347.07678	32.5
347.12399	100.0
348.08176	1.9
348.12622	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	347.1236
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15741	0.8
55.01873	3.8
60.24041	0.8
67.05510	3.2
69.03442	1.4
70.06593	0.8
71.51144	1.0
79.05501	2.3
81.03408	1.2
81.07048	3.5
91.05484	2.1
93.07048	1.8
95.04951	0.9
95.08632	1.9
99.04462	1.1
105.07040	2.7
107.08569	1.4
108.04483	1.2
109.06510	1.0
109.10161	1.4
119.08578	1.6
120.08047	0.9
121.06557	1.1
121.10173	1.2
123.08105	0.8
124.05276	0.8
125.05984	1.4
131.08600	1.2
133.06519	0.9
134.06039	1.8
135.04428	0.7
137.06012	0.8
139.07533	1.0
141.80977	0.8
143.08577	1.1
145.10083	1.2
152.03429	1.3
153.01828	2.9
160.03938	2.0
160.07620	0.9
161.05916	1.0
162.05649	1.1
167.07057	7.1
168.08110	0.9
170.08379	1.0
170.09625	0.9
176.07115	1.6
178.04985	2.7
184.06273	1.2
185.07130	2.8
187.05009	1.9
193.08604	2.7
196.07501	0.9
199.08655	7.0
201.06706	3.9
201.10283	1.6
208.29373	0.7
209.07269	1.0
209.10754	0.9
210.09177	2.3
211.08673	2.9
213.06627	7.4
213.10272	4.6
213.11925	0.8
213.32047	0.7
223.08638	1.0
227.08200	8.1
227.11763	2.5
229.05157	0.9
229.09753	3.9
231.07799	4.0
237.10252	2.5
238.08678	2.7
239.08141	2.2
239.11797	1.1
241.06219	1.2
241.09715	7.0
245.09125	1.2
251.08167	1.0
255.07681	11.4
255.11244	9.0
257.09280	3.0
257.12744	1.8
258.05185	3.3
259.10699	1.2
264.34344	0.8
265.09775	3.8
266.08124	1.7
267.07675	2.2
267.11270	1.1
269.09219	8.9
273.08673	4.6
273.12250	1.2
283.07632	1.1
283.10788	26.5
286.04709	2.9
286.11908	1.6
287.05688	1.3
287.10193	3.2
293.09149	6.9
301.11746	4.1
303.04962	2.6
311.10251	42.2
312.10901	1.4
314.04218	1.2
315.04968	1.7
319.12961	1.2
329.11328	72.3
330.11887	1.2
331.04510	5.9
332.05389	2.1
347.07660	23.6
347.12372	100.0
347.16571	7.6
348.12811	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	347.1197
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83559	1.2
53.03947	2.9
55.01868	3.1
56.96564	7.9
57.03448	7.1
61.02924	5.4
69.03435	18.2
70.06569	2.2
70.99849	1.5
71.01358	4.6
71.04993	1.9
71.49857	1.6
72.08165	2.6
73.02909	6.3
79.07594	1.2
81.03417	5.1
82.99860	6.3
84.08150	3.9
84.96023	2.9
85.02918	29.8
86.09748	1.4
87.04470	4.9
95.68772	1.4
97.02913	23.2
98.97600	30.7
98.98222	2.9
99.04477	2.6
101.00898	34.3
102.01576	1.3
103.00650	2.0
104.43984	1.4
109.02917	2.7
110.01295	1.7
110.97605	4.3
112.99165	8.3
113.00851	5.4
113.02391	1.7
115.02404	3.5
115.03938	2.5
116.98636	5.5
117.04025	1.5
119.01933	29.2
120.02660	2.4
127.00686	1.9
127.02412	1.7
127.03921	9.7
128.98669	2.1
129.01936	1.5
129.03110	1.8
129.05513	1.6
131.00159	4.1
131.01891	8.9
131.03529	1.6
133.03514	2.2
139.02431	2.2
140.02287	1.5
143.00166	2.6
143.01917	100.0
144.01981	2.5
145.03499	4.2
145.04976	5.5
146.02322	2.9
146.05135	1.3
150.09154	2.0
155.00174	1.4
155.01909	5.5
155.03038	2.0
157.03502	10.6
158.03656	1.6
158.99692	8.7
159.01286	2.1
159.03239	2.4
161.01477	2.8
161.02983	83.9
162.03468	2.2
167.01869	2.0
167.07158	1.7
167.11871	2.7
169.04451	11.3
170.99767	1.9
171.01405	1.7
171.05170	2.6
173.01283	1.6
173.03036	4.6
175.02802	1.9
175.04567	2.4
176.03427	2.6
176.06148	8.6
177.00888	3.1
177.04105	10.1
178.04919	18.9
178.55154	2.5
179.02251	3.9
182.99733	2.0
184.04478	2.1
184.05957	2.2
184.55962	2.7
185.02939	4.2
185.06668	2.2
185.10049	2.3
186.04718	6.3
187.02751	1.8
191.02330	2.0
192.04741	6.5
193.03874	1.9
194.07155	2.0
197.03081	2.4
197.06551	2.0
199.04596	2.2
201.00821	7.3
201.02528	2.5
203.02617	2.1
203.04039	41.0
209.03116	3.3
215.04172	1.8
219.01855	6.4
221.05095	4.0
223.06609	5.2
225.02536	2.4
225.06459	1.5
227.02354	2.3
227.04311	2.1
227.07687	4.3
233.05002	5.6
234.05782	2.3
237.02669	2.2
239.04398	3.7
245.05087	2.6
248.05443	1.7
249.03094	1.5
249.08449	1.9
250.07111	2.4
257.03531	4.1
257.06033	4.6
258.06778	1.6
263.06363	2.8
266.06531	4.5
267.07376	3.7
287.04614	2.0
287.09909	3.5
305.05820	7.9
305.10898	2.1
315.06946	15.1
323.06787	2.3
337.08197	4.0
347.09579	36.4
347.23172	1.9
348.00659	1.5
351.11292	6.2
353.07712	2.5
355.09198	1.5
367.10733	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.3317
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00283	0.1
55.05509	0.3
55.16700	0.1
56.05042	0.2
57.07076	8.4
58.06602	2.1
60.04506	0.3
62.06103	0.1
68.05029	0.3
69.07063	0.4
69.63638	0.1
70.06593	18.5
70.55615	0.3
71.08633	3.2
72.08151	0.7
74.06084	0.2
83.08624	0.1
84.08153	0.4
85.10188	1.4
86.09713	0.3
88.07631	23.7
89.06047	0.1
89.07957	0.2
98.09720	0.1
98.47528	0.1
100.07656	0.1
102.09180	15.1
114.09159	0.1
132.10214	1.3
146.11781	0.9
150.11267	0.9
150.79170	0.1
168.96855	0.1
176.21855	0.1
240.26877	1.0
258.27972	0.2
266.28354	0.1
284.29474	42.9
285.29828	0.9
328.32117	2.8
346.33154	100.0
347.33466	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	347.0948
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33345	1.1
52.47665	1.4
53.03945	1.6
55.01871	1.5
56.96568	19.8
57.03455	6.0
59.05002	4.0
60.95872	1.9
61.02923	4.7
62.27441	1.3
69.03436	18.3
69.07059	1.3
70.03772	1.8
70.06593	2.6
70.98109	1.2
71.01369	8.9
71.05000	3.8
72.08163	4.7
73.02908	6.0
74.12480	1.2
81.03414	4.2
82.99858	1.9
83.04951	1.4
84.08144	4.2
84.96038	5.7
85.02915	29.5
86.03241	2.8
86.09709	1.8
87.04473	4.5
89.00758	1.5
91.03949	1.4
91.05511	1.8
97.02905	22.0
97.96838	1.8
98.03202	1.3
98.06055	4.6
98.97584	33.0
98.98196	1.7
99.04493	3.7
101.00880	12.4
101.02370	2.1
103.05455	1.4
107.04963	3.2
109.02900	3.7
110.97572	9.4
112.99176	4.6
113.00874	10.5
113.02377	4.1
115.00710	3.0
115.02427	3.4
115.03882	1.5
116.98659	6.5
119.01918	8.3
122.06025	3.0
126.97039	1.7
127.00736	2.7
127.03980	5.9
128.98631	5.8
129.01852	2.3
129.03946	1.4
129.10262	2.5
130.08664	1.8
131.00214	3.4
131.01913	15.3
133.01740	1.9
133.03462	2.6
137.06035	3.1
143.00153	3.7
143.01910	24.2
144.98079	2.6
145.01724	2.1
145.03546	2.1
145.04999	6.1
146.99664	1.8
147.01405	1.9
147.03236	2.0
147.04410	2.1
148.03928	2.4
148.07597	1.7
149.07979	3.1
149.10822	1.4
150.05460	1.6
150.09169	3.9
153.01614	1.5
155.01918	5.7
156.98122	1.8
157.03510	7.3
158.99681	6.7
159.01428	6.8
159.03241	4.7
160.03963	1.7
161.01122	2.6
161.02998	15.6
161.04689	3.4
161.54846	3.0
166.05051	2.2
166.08612	2.3
167.01912	1.6
167.05351	2.7
167.09061	2.6
167.11836	4.3
168.03722	1.5
168.05368	1.6
168.06644	2.9
169.04433	8.9
170.03828	1.3
170.05138	7.0
170.55385	7.5
170.99721	4.9
171.01335	1.2
173.01285	1.7
173.03003	3.9
174.99239	4.7
175.02811	1.6
175.04561	2.3
177.00739	2.3
177.04289	4.2
177.05885	1.6
178.04936	14.4
179.02179	2.6
182.99731	1.6
183.01480	2.1
184.06078	3.4
184.09700	2.4
184.55959	3.5
184.97704	1.5
185.01437	1.9
185.02916	6.8
185.06606	1.4
185.10052	4.5
186.07736	1.3
186.99153	3.3
189.00710	1.9
189.02385	1.7
191.02051	2.9
197.02954	2.9
201.00826	5.7
201.02516	2.3
203.03979	8.3
204.04248	1.5
209.02924	7.8
213.02521	2.1
217.00266	1.8
217.02054	1.9
219.01738	10.7
221.05153	5.0
223.01079	1.5
223.06654	3.1
225.02563	2.5
225.55353	2.3
226.56265	1.8
227.04102	4.7
232.96490	1.8
233.05064	3.1
234.05783	2.1
237.02676	8.4
239.04491	1.8
240.05745	1.5
243.03596	1.5
245.06296	4.8
250.06808	1.7
255.03630	1.6
256.57272	1.6
257.06879	2.1
270.57169	1.5
273.05414	1.6
279.04150	1.5
292.98779	1.5
305.05276	1.5
313.07254	1.2
315.06894	81.2
321.08673	1.5
321.58347	1.3
323.06604	1.7
347.09515	100.0
347.15421	4.3
351.09439	1.6
369.10440	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.2591
Annotation	Unknow
Peak:m/z	Relative Intensity
58.58067	28.4
67.05532	66.2
69.07059	29.1
70.75539	68.2
79.05498	61.1
81.07053	78.4
83.08628	34.8
91.05474	41.2
93.07041	42.1
95.08607	56.4
107.08574	74.8
109.10156	77.2
115.97917	29.1
133.10136	33.2
155.10648	37.6
173.11771	71.6
189.11255	32.6
195.13800	100.0
275.20016	95.9
288.63278	29.0
313.10318	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	346.3318
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	0.6
56.05041	8.4
57.06829	0.6
57.07082	6.9
58.06353	0.4
58.06603	5.0
60.04520	1.5
63.30469	0.4
68.05018	0.6
68.08417	0.4
69.07067	0.5
70.06584	2.4
70.90323	0.9
71.08637	3.6
74.06087	8.2
83.08614	0.4
85.10186	1.4
86.06054	1.4
88.07635	38.2
102.09185	1.7
104.07106	0.7
118.08656	6.6
122.08154	3.7
279.08444	0.4
279.50916	0.5
284.29489	5.5
298.31058	25.2
328.32013	2.0
346.09848	0.6
346.33179	100.0
347.26117	0.8
347.33496	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	346.3319
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50937	0.2
55.05509	0.3
56.05025	0.3
57.07084	7.2
59.48709	0.2
67.05493	0.3
68.05035	0.4
69.07058	0.3
70.06596	16.4
71.04995	0.3
71.08638	4.3
71.50356	0.3
72.08163	0.3
79.05454	0.2
84.08139	1.4
85.10170	1.6
86.09701	0.6
88.07635	18.0
102.09178	1.2
105.07058	0.3
106.08669	2.5
114.09179	6.0
118.08657	1.6
130.08650	0.5
132.10214	22.7
148.09715	0.3
150.11263	19.5
150.65146	0.2
173.97768	0.2
187.99918	0.3
270.27939	1.2
284.29501	1.1
302.30536	4.9
346.33176	100.0
347.33521	2.8
369.38104	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.1499
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.6
55.01883	2.8
57.03426	5.2
61.02941	10.5
69.03437	20.9
70.06596	5.8
70.79902	1.8
70.80237	3.7
71.04990	3.2
72.32646	1.6
73.02925	4.0
81.03432	10.4
85.02914	100.0
86.09715	9.7
87.04483	1.9
91.03957	5.7
96.08144	2.8
97.02913	28.7
99.04467	5.3
107.04968	74.5
109.02895	9.9
110.09690	4.6
116.07098	4.8
120.08136	2.2
121.06496	3.1
127.03931	21.8
130.54807	1.9
132.59003	1.7
137.06004	3.1
138.06470	2.2
138.09157	5.8
143.13524	1.6
145.04976	30.7
145.06259	1.9
147.04381	4.0
149.04955	2.4
149.06013	18.2
163.06039	3.6
165.05482	1.8
165.99644	1.5
166.08659	17.2
167.07100	10.3
173.05980	3.2
174.68317	1.6
180.08736	9.1
184.09732	5.8
187.07686	2.0
215.07086	6.6
233.08128	4.5
237.09151	2.0
257.08087	2.3
293.10153	2.2
300.12289	2.9
333.06720	1.8
346.15305	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	346.259
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15496	10.2
53.03955	14.1
55.01862	9.8
55.05510	58.0
57.07062	15.8
61.45886	11.5
67.05227	10.8
67.05512	100.0
69.07062	25.4
69.81425	45.2
71.04997	19.0
73.27911	10.1
79.05495	67.0
81.03447	13.5
81.07072	83.3
83.04978	20.9
83.08616	22.3
85.10155	10.7
91.05479	40.9
92.05799	11.9
93.07043	55.0
95.04955	31.7
95.08622	85.6
97.10179	16.1
101.67178	13.0
105.07033	39.1
107.04929	16.7
107.08600	46.0
109.10152	42.8
112.23030	9.4
113.09640	22.4
117.07037	12.9
119.08594	21.2
121.06425	17.4
121.10144	69.9
125.09650	13.1
131.08586	24.2
133.10146	31.7
135.11713	25.6
137.09583	11.8
139.11174	15.3
145.10129	16.5
149.09630	23.3
153.40079	11.1
163.11246	14.7
167.10703	21.1
173.11751	13.9
192.96912	11.1
193.77155	10.6
209.11847	13.6
275.20071	25.7
293.21048	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	346.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	2.1
55.01869	5.4
57.03439	6.5
61.02942	12.0
69.03439	20.7
69.07082	2.4
70.06623	9.3
70.67930	3.9
70.68300	3.5
71.04983	3.1
73.02915	5.1
74.56310	1.9
79.05481	2.1
79.77055	1.9
81.03427	7.3
83.35579	2.1
85.02919	100.0
86.09719	20.5
87.04481	3.2
90.79652	1.8
91.03973	6.6
91.05499	3.9
93.07060	3.0
96.08154	4.7
97.02912	29.6
99.04458	6.0
107.04971	79.0
109.02898	8.8
110.09692	10.6
116.07104	6.2
120.08091	3.5
121.06528	4.9
127.03945	21.3
137.05980	6.6
138.06326	3.3
138.09175	11.9
145.04985	38.0
147.04408	4.6
148.04788	4.2
149.05991	25.2
163.06110	2.3
165.05573	2.7
166.06018	2.6
166.08669	24.6
167.07124	16.3
167.08481	3.2
173.06076	4.1
180.08714	17.8
180.30345	2.2
184.09749	8.5
215.07108	8.5
233.08168	6.9
257.08136	2.6
275.09290	3.2
283.09726	3.4
341.11459	2.5
346.15002	5.3
347.16641	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.3001
Annotation	Aggreceride C
Peak:m/z	Relative Intensity
52.90506	2.3
53.12286	2.2
55.05524	14.5
57.03435	12.1
57.07080	100.0
63.42686	2.2
67.05512	25.1
69.07079	13.9
70.07016	10.3
71.08639	69.4
75.04488	3.7
77.80775	2.1
78.98775	2.2
80.87023	2.5
81.07052	40.3
83.08623	23.5
85.10185	35.0
93.07062	4.1
95.08614	56.7
97.10185	21.2
98.20740	2.3
99.11744	3.7
103.21871	2.1
107.08582	2.9
109.10165	26.6
111.11729	6.8
121.10106	2.1
123.11707	10.1
123.54709	2.2
137.13280	6.3
144.12024	2.1
149.04381	2.7
187.49069	2.4
235.24222	4.3
253.25252	12.1
271.26331	3.8
274.70969	2.3
315.05017	3.0
327.28970	61.8
345.09683	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.3001
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	19.4
57.03447	8.3
57.07078	100.0
58.41649	5.4
67.05501	24.8
69.07056	18.2
69.51633	34.8
71.08631	69.8
75.04472	7.4
80.80466	5.0
81.07065	56.9
83.08616	22.6
85.10194	33.1
93.07030	8.9
95.08604	73.8
97.10165	18.7
98.21481	12.1
105.07028	11.0
107.08613	6.1
109.10155	30.9
121.10185	8.5
123.11714	20.9
131.08546	6.1
137.13260	9.2
253.25223	15.8
261.05347	5.7
315.05130	21.1
327.29007	60.9
335.38217	5.9
345.09555	27.7
345.28021	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	345.191
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.6
55.05512	2.4
57.03430	1.8
67.05501	4.9
68.99829	1.3
69.03435	7.6
69.07076	13.0
70.76758	1.4
70.95977	3.2
71.04996	1.7
79.05500	5.3
79.70923	1.4
81.03439	2.3
81.07065	21.2
83.04977	4.6
85.02917	8.4
85.06545	5.6
85.41539	1.4
86.09695	2.2
88.04731	1.2
91.05478	4.1
93.07038	2.7
95.08617	7.0
97.02874	2.3
97.06522	3.5
99.04463	3.7
99.08089	10.4
105.07046	4.7
107.08582	5.9
109.06529	5.7
109.10165	4.7
111.08109	1.9
113.06028	1.5
119.08591	2.6
121.02879	1.8
121.10159	11.6
123.04432	1.6
123.08107	2.8
123.11727	5.6
125.09660	10.4
127.03957	2.3
127.07568	3.7
131.04955	2.3
137.02351	10.2
137.05974	4.6
137.09601	2.8
137.13252	1.4
139.11200	10.2
145.10150	2.1
145.97578	1.3
147.11658	2.5
151.03912	1.5
165.12772	5.5
167.07076	2.6
172.03894	1.7
177.09238	1.8
183.13821	100.0
204.06636	1.8
225.05367	1.9
225.09090	1.8
236.69701	1.5
271.06000	1.6
299.05490	8.2
299.08575	1.5
301.03510	3.2
302.04309	5.0
313.10706	4.8
315.05008	3.1
316.05826	5.0
327.05109	3.1
345.06094	56.2
345.15170	27.9
346.06393	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	345.17
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79172	1.2
53.03950	1.7
55.01869	1.9
55.05512	3.4
55.44053	1.3
64.40456	1.1
67.05500	3.9
69.03428	2.5
69.07074	2.5
69.39115	6.3
69.39536	3.8
71.04980	2.9
72.08186	1.5
79.05509	7.4
81.03416	1.4
81.07069	4.5
85.02906	2.0
85.06582	1.6
86.09704	1.8
91.05486	9.2
93.07046	4.9
95.04983	3.0
95.08626	5.8
103.05489	6.6
105.07063	6.8
107.04962	5.6
107.08624	3.1
108.41247	1.3
109.06560	4.4
109.10170	2.3
111.04460	2.7
115.05476	5.6
117.07040	4.7
119.04951	2.2
119.08601	3.3
121.06486	2.6
121.10175	2.3
123.04440	2.4
123.08124	1.8
124.56640	1.2
128.06268	6.3
129.07059	6.9
131.04935	10.6
131.08580	8.0
133.06520	3.6
133.10127	2.0
135.04346	1.8
135.08116	1.8
137.05997	11.6
139.07596	1.9
141.06984	1.5
143.08578	8.9
145.06487	14.1
145.10147	6.0
149.06003	3.4
149.09639	2.3
151.03952	1.7
151.07506	1.3
151.54599	1.3
152.11726	1.2
153.05466	1.9
153.07062	3.5
155.08586	3.5
157.06558	4.0
157.10117	3.3
159.08063	8.6
159.11737	1.3
160.05234	1.3
161.06023	2.3
163.07587	3.1
165.05666	2.3
165.07016	6.7
166.07823	2.3
167.07034	3.6
167.08598	4.7
168.09308	1.4
169.06526	1.7
169.10123	2.5
171.08066	17.5
173.09691	6.4
175.07607	1.8
175.11240	1.7
177.09160	1.3
178.07753	3.1
179.07138	1.8
179.08600	7.8
180.09329	2.4
181.06514	3.0
181.10161	3.3
183.08041	1.5
184.08638	1.6
185.09587	7.0
187.11215	1.8
189.09175	10.7
191.07051	7.8
191.08643	3.2
192.09337	7.1
193.08672	1.5
193.10104	7.6
194.07368	1.6
194.10951	3.0
195.08032	3.1
195.11736	3.6
197.05901	1.4
197.09698	2.5
198.06804	1.7
198.10460	1.9
199.07486	1.5
199.11275	2.3
201.12759	1.4
203.08746	2.8
203.10698	7.4
205.10143	4.9
206.10986	3.7
207.08037	4.8
207.11700	8.2
208.08847	4.5
209.09685	2.7
209.13400	1.5
210.06804	2.0
211.07385	1.9
211.11237	2.1
213.09103	2.0
215.08618	2.1
217.10106	3.0
219.11763	3.8
220.08899	5.4
220.12520	5.0
221.06023	1.9
221.09657	6.0
221.13324	3.3
222.06766	2.0
222.10405	4.5
223.11203	5.8
224.08479	3.2
225.09033	2.7
225.12846	1.9
227.06969	1.7
232.08807	1.8
232.12491	2.9
233.09637	7.2
234.10384	3.2
235.07770	1.7
235.11182	17.0
235.14824	4.4
236.12067	2.4
237.09140	4.3
237.12840	3.1
238.06242	2.3
239.06999	1.8
239.10794	2.0
247.11143	2.5
247.14923	3.6
248.08376	2.7
248.09584	1.7
248.11949	12.9
249.12762	4.0
251.06985	1.4
251.10570	2.4
252.07944	1.4
253.08611	5.0
255.06490	2.7
263.10641	8.2
263.14377	17.6
265.16000	1.7
266.09262	1.8
267.10190	3.5
267.13690	3.9
270.08798	3.1
273.12772	1.6
276.11615	3.8
279.10214	1.9
281.08731	2.5
281.11804	14.0
281.15399	8.3
284.10516	2.1
285.11243	2.7
291.13867	13.9
295.09738	4.1
299.09348	3.0
299.12787	31.0
309.11435	2.2
309.14871	21.7
310.15384	1.6
313.07275	2.7
313.10675	14.7
314.11627	2.3
327.12576	3.8
327.15933	100.0
328.16324	2.4
330.10999	1.6
345.06027	3.0
345.09808	4.0
345.13351	9.8
345.16656	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	345.17
Annotation	Chushizisin B
Peak:m/z	Relative Intensity
52.79172	1.2
53.03950	1.7
55.01869	1.9
55.05512	3.4
55.44053	1.3
64.40456	1.1
67.05500	3.9
69.03428	2.5
69.07074	2.5
69.39115	6.3
69.39536	3.8
71.04980	2.9
72.08186	1.5
79.05509	7.4
81.03416	1.4
81.07069	4.5
85.02906	2.0
85.06582	1.6
86.09704	1.8
91.05486	9.2
93.07046	4.9
95.04983	3.0
95.08626	5.8
103.05489	6.6
105.07063	6.8
107.04962	5.6
107.08624	3.1
108.41247	1.3
109.06560	4.4
109.10170	2.3
111.04460	2.7
115.05476	5.6
117.07040	4.7
119.04951	2.2
119.08601	3.3
121.06486	2.6
121.10175	2.3
123.04440	2.4
123.08124	1.8
124.56640	1.2
128.06268	6.3
129.07059	6.9
131.04935	10.6
131.08580	8.0
133.06520	3.6
133.10127	2.0
135.04346	1.8
135.08116	1.8
137.05997	11.6
139.07596	1.9
141.06984	1.5
143.08578	8.9
145.06487	14.1
145.10147	6.0
149.06003	3.4
149.09639	2.3
151.03952	1.7
151.07506	1.3
151.54599	1.3
152.11726	1.2
153.05466	1.9
153.07062	3.5
155.08586	3.5
157.06558	4.0
157.10117	3.3
159.08063	8.6
159.11737	1.3
160.05234	1.3
161.06023	2.3
163.07587	3.1
165.05666	2.3
165.07016	6.7
166.07823	2.3
167.07034	3.6
167.08598	4.7
168.09308	1.4
169.06526	1.7
169.10123	2.5
171.08066	17.5
173.09691	6.4
175.07607	1.8
175.11240	1.7
177.09160	1.3
178.07753	3.1
179.07138	1.8
179.08600	7.8
180.09329	2.4
181.06514	3.0
181.10161	3.3
183.08041	1.5
184.08638	1.6
185.09587	7.0
187.11215	1.8
189.09175	10.7
191.07051	7.8
191.08643	3.2
192.09337	7.1
193.08672	1.5
193.10104	7.6
194.07368	1.6
194.10951	3.0
195.08032	3.1
195.11736	3.6
197.05901	1.4
197.09698	2.5
198.06804	1.7
198.10460	1.9
199.07486	1.5
199.11275	2.3
201.12759	1.4
203.08746	2.8
203.10698	7.4
205.10143	4.9
206.10986	3.7
207.08037	4.8
207.11700	8.2
208.08847	4.5
209.09685	2.7
209.13400	1.5
210.06804	2.0
211.07385	1.9
211.11237	2.1
213.09103	2.0
215.08618	2.1
217.10106	3.0
219.11763	3.8
220.08899	5.4
220.12520	5.0
221.06023	1.9
221.09657	6.0
221.13324	3.3
222.06766	2.0
222.10405	4.5
223.11203	5.8
224.08479	3.2
225.09033	2.7
225.12846	1.9
227.06969	1.7
232.08807	1.8
232.12491	2.9
233.09637	7.2
234.10384	3.2
235.07770	1.7
235.11182	17.0
235.14824	4.4
236.12067	2.4
237.09140	4.3
237.12840	3.1
238.06242	2.3
239.06999	1.8
239.10794	2.0
247.11143	2.5
247.14923	3.6
248.08376	2.7
248.09584	1.7
248.11949	12.9
249.12762	4.0
251.06985	1.4
251.10570	2.4
252.07944	1.4
253.08611	5.0
255.06490	2.7
263.10641	8.2
263.14377	17.6
265.16000	1.7
266.09262	1.8
267.10190	3.5
267.13690	3.9
270.08798	3.1
273.12772	1.6
276.11615	3.8
279.10214	1.9
281.08731	2.5
281.11804	14.0
281.15399	8.3
284.10516	2.1
285.11243	2.7
291.13867	13.9
295.09738	4.1
299.09348	3.0
299.12787	31.0
309.11435	2.2
309.14871	21.7
310.15384	1.6
313.07275	2.7
313.10675	14.7
314.11627	2.3
327.12576	3.8
327.15933	100.0
328.16324	2.4
330.10999	1.6
345.06027	3.0
345.09808	4.0
345.13351	9.8
345.16656	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	345.1333
Annotation	3'-Hydroxy-5,7,4'-trimethoxy-8-C-methylflavanone
Peak:m/z	Relative Intensity
50.93139	1.0
53.03942	1.2
53.98212	1.0
55.01879	2.1
55.05507	1.1
56.96576	4.5
57.03440	2.2
61.02938	1.3
67.05486	1.3
68.99802	1.2
69.03436	6.2
70.06602	5.5
71.01361	1.1
71.51404	1.2
72.08169	8.6
73.02924	1.4
79.05515	3.1
80.05042	1.0
81.03442	2.6
81.07092	1.2
81.10497	1.1
83.04972	1.3
83.06095	1.1
84.08163	3.4
84.96050	2.8
85.02908	10.9
85.06574	1.1
86.09716	3.8
91.05498	8.0
93.07079	1.0
94.04179	4.8
94.06558	1.3
95.01333	1.4
95.04991	1.2
97.02908	5.1
98.97597	6.2
99.04456	1.7
100.77028	1.0
103.05503	2.1
105.07060	2.2
107.04961	2.5
109.02929	1.4
109.06556	2.6
110.97581	1.9
111.05604	3.1
115.05486	1.2
115.35684	1.1
116.98582	1.3
118.06578	2.2
119.04978	2.0
120.04508	2.1
120.08117	1.7
121.06554	2.1
122.03674	8.4
122.09682	4.1
123.04473	2.2
123.05592	1.4
125.05994	2.0
127.03909	2.5
128.98611	2.5
129.10251	1.3
131.04950	4.2
132.04457	15.8
133.06377	1.1
134.06046	3.3
135.04550	1.7
136.07567	5.8
137.05989	100.0
138.06425	1.6
139.12360	2.5
143.04907	1.5
145.05046	2.0
145.06479	2.1
147.04454	2.8
149.06007	3.9
150.05544	3.5
151.03990	2.0
151.06178	8.2
155.70204	1.0
159.04477	1.7
160.05241	1.3
161.06012	4.1
165.05493	3.5
165.06882	1.6
166.08685	2.0
167.07072	1.7
172.65770	1.1
175.07613	4.6
177.00621	1.3
177.05513	1.3
178.07771	1.8
179.06998	1.2
179.08572	2.4
181.04961	1.0
181.06610	1.3
182.08325	1.6
183.07834	1.3
183.11424	1.4
184.09702	5.0
190.12628	1.1
191.07037	5.8
193.06631	1.4
194.06845	2.2
203.07036	2.1
205.06462	2.1
206.07500	1.0
207.08156	3.4
210.06760	1.6
213.07947	1.3
219.01784	1.8
221.06071	3.2
221.08205	1.8
222.06865	2.1
225.09218	2.7
227.07083	1.8
232.10927	1.4
234.06854	1.6
237.02898	1.9
237.09172	2.6
238.06456	1.1
242.09329	2.7
249.09363	1.1
251.07195	1.3
253.08690	3.5
257.10474	3.1
259.09494	1.4
259.11890	7.2
265.08746	4.4
267.10226	2.0
277.08905	2.6
284.11450	3.1
285.11389	4.6
294.08929	1.4
295.09863	1.3
302.12555	8.6
309.11386	2.6
313.10727	1.8
327.12338	2.0
345.13153	54.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1319
Annotation	3'-Hydroxy-5,7,4'-trimethoxy-8-C-methylflavanone
Peak:m/z	Relative Intensity
53.03926	1.4
55.01859	2.1
55.05500	1.8
56.05032	1.1
57.03411	1.9
57.40963	1.0
61.83499	0.8
65.03922	2.2
67.05477	1.6
69.03422	2.4
69.07021	1.2
70.06570	4.2
72.08131	4.6
79.05470	4.0
79.95349	1.0
81.03394	0.9
81.07023	3.6
83.04955	1.3
83.06084	2.2
84.04425	1.1
84.08115	4.0
85.02911	6.6
86.03570	1.3
86.09689	2.2
91.05499	11.8
92.05786	1.0
93.07027	2.1
94.04138	2.9
95.04932	3.5
97.02857	3.0
98.97565	1.3
99.04408	1.4
103.05428	3.3
105.03421	1.4
105.07023	2.0
106.06532	1.1
107.04923	4.0
109.02869	1.5
109.06461	3.9
111.04427	1.5
111.05533	4.0
113.02377	1.0
115.05428	2.7
115.38811	1.0
117.06975	1.1
119.04956	5.7
119.08505	1.1
119.36687	0.9
120.04417	4.0
120.05238	2.2
120.08084	1.3
121.06493	2.3
122.03683	7.7
123.04455	1.9
123.05481	0.9
124.07505	0.9
125.05902	2.2
126.06626	2.4
127.03951	1.2
129.10193	2.1
131.04951	12.2
132.03503	1.3
132.04468	22.9
132.05429	1.3
133.06485	2.4
133.33090	1.1
134.05989	4.4
134.52202	0.9
135.04355	1.9
135.08034	1.8
135.17174	1.0
137.05989	100.0
143.04890	2.4
145.06413	1.1
146.03609	1.2
147.04431	15.0
148.04756	8.8
149.05939	3.1
150.05507	2.4
151.06195	10.8
151.07410	2.2
153.05350	2.1
153.06953	1.4
159.04366	3.3
161.05960	3.4
162.76460	1.0
163.06218	1.2
163.07536	2.3
165.05421	8.3
165.06818	1.8
166.05891	4.9
166.07065	1.5
166.08640	1.2
167.06960	2.7
167.08392	1.7
175.07475	3.8
176.04625	2.0
177.05396	3.6
178.07715	1.9
179.06976	3.3
179.08498	2.2
181.06444	1.5
183.06485	2.2
183.08099	1.1
183.11270	1.9
189.06853	2.0
191.05420	1.3
191.07024	14.3
193.06429	2.7
194.06821	4.4
195.07956	1.5
197.05931	1.0
202.09721	2.3
203.06837	2.1
205.06570	1.5
206.07071	1.8
210.06728	2.1
211.07407	2.2
216.11357	1.3
217.17471	1.0
221.05981	2.0
221.07988	1.5
221.09935	1.1
222.06886	1.5
223.07460	2.4
224.08261	2.8
225.09035	2.8
227.06873	1.1
230.09274	1.7
231.07642	1.5
231.12440	1.3
232.10760	2.2
233.05759	1.1
234.06691	2.0
237.09091	3.3
238.06143	1.4
239.07082	1.3
239.10640	1.4
242.09274	4.7
249.09059	2.3
252.07758	1.2
253.08487	4.1
255.06396	2.4
255.10498	1.2
257.10452	5.1
259.11896	9.7
262.06104	2.0
265.08530	4.0
267.06308	1.0
267.10068	3.6
269.08218	1.2
270.08981	1.2
277.08575	4.0
284.11389	5.6
285.11160	4.3
295.09628	3.5
297.11163	3.0
299.09012	2.7
302.12540	13.5
309.11188	2.3
313.10770	6.4
327.09171	1.4
345.12967	93.4
349.74417	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1036
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84056	1.8
53.03954	4.0
53.04704	2.1
54.50166	2.3
55.01875	6.8
55.05513	2.7
56.96568	33.1
57.03446	19.9
57.66636	2.4
60.46503	2.2
61.02933	17.1
63.49089	1.7
67.05501	3.3
68.05037	2.1
69.03437	60.2
69.43672	16.6
70.03761	2.2
70.06588	8.7
71.01344	13.3
71.04985	9.1
71.95245	2.4
72.08169	10.8
73.02925	20.9
81.03426	18.8
82.05344	3.7
82.99848	2.7
83.04963	3.1
84.08156	13.5
84.96048	14.7
85.02911	100.0
86.03262	4.6
86.09752	3.0
87.04472	15.6
91.03983	5.7
91.05487	4.5
93.99746	2.3
95.04967	2.1
96.08109	4.0
97.00529	2.1
97.02898	55.0
98.03227	3.8
98.20738	4.1
98.97591	50.7
99.04459	12.2
101.00898	20.6
101.02380	4.9
109.02860	11.8
109.07689	3.5
110.01279	3.0
110.97582	31.9
111.02944	3.7
112.99139	7.7
113.00906	11.5
113.02368	5.0
114.09173	3.4
115.02431	6.3
115.03919	7.2
116.98613	10.0
117.92302	1.9
119.01914	19.4
120.02667	2.7
123.02941	2.8
124.99121	6.4
127.00668	2.3
127.02451	4.6
127.03928	31.2
128.98615	18.2
129.01892	8.3
129.02982	2.5
129.03918	2.1
131.00179	6.3
131.01933	18.3
131.03488	2.8
133.03442	7.1
136.07571	8.8
137.05991	6.0
137.10730	3.3
138.03452	2.8
139.02385	3.3
141.01854	2.7
142.14784	2.2
143.00189	7.1
143.01901	20.6
144.03455	2.7
144.98128	4.6
145.01663	5.0
145.03476	10.2
145.04977	19.5
146.99614	5.4
153.04091	4.6
155.00139	3.0
155.01895	20.8
155.02966	3.3
156.98120	10.4
157.00856	2.7
157.03438	16.3
158.99649	10.1
159.01442	4.9
159.02969	4.4
161.01230	6.6
161.02931	12.6
162.54704	2.6
163.02760	2.5
163.04259	2.1
165.10245	14.2
166.04987	4.9
167.01915	6.0
167.11835	6.1
168.98108	2.4
169.04448	8.8
170.99686	7.6
171.01355	4.8
171.05028	3.1
172.94388	2.7
173.01265	7.3
173.02968	16.4
173.04459	3.1
174.04512	7.6
174.99158	10.9
175.02769	5.1
175.04507	7.5
176.06049	2.8
177.00722	4.6
177.04169	4.2
178.04930	14.3
179.02075	6.0
181.03596	4.3
182.08121	2.7
182.99788	3.1
183.01387	4.9
183.05157	11.6
183.11305	4.4
184.05859	9.4
184.55957	3.6
185.01437	3.6
185.02892	12.4
186.99217	3.1
187.04504	7.2
189.00807	5.0
189.02477	3.1
189.04449	2.3
191.02313	3.0
191.03957	4.3
192.04526	15.1
197.01350	3.3
197.03038	10.3
199.00916	3.0
201.00748	6.8
201.02507	7.5
201.05147	2.3
203.02289	3.1
203.04033	9.3
203.07478	2.2
209.02965	2.8
213.02463	3.6
213.08035	6.8
214.98772	2.4
215.02232	2.8
215.04088	6.7
217.00288	3.2
219.01799	10.1
221.03195	3.6
221.05087	6.6
223.06647	7.0
225.02515	5.1
227.03983	4.3
229.01999	3.3
231.03647	2.8
231.09106	6.1
232.99794	2.5
234.06589	4.6
237.02690	8.9
239.04198	4.1
243.03568	5.2
245.05106	24.2
246.05078	2.5
248.05675	2.5
253.05302	3.8
255.07045	3.6
256.05124	2.9
257.05093	5.0
261.02939	2.3
263.06219	2.9
264.07709	10.6
277.09531	2.5
282.11087	2.9
285.04510	6.0
299.13980	2.6
305.07303	3.3
307.09103	2.3
313.05737	2.7
333.06570	4.3
345.07025	13.9
345.16626	21.3
347.08170	2.8
353.56641	2.6
365.09122	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	344.2434
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95370	6.4
51.89428	7.1
53.03951	8.6
55.05502	9.1
57.07070	6.3
58.02284	6.3
62.05542	6.5
62.95669	6.2
67.05501	26.2
69.07066	38.2
69.16129	77.8
70.25857	6.4
71.05009	10.5
72.08142	11.9
73.06526	7.6
79.05493	30.6
81.03417	14.6
81.07067	30.5
83.04961	7.7
91.05484	18.1
93.07053	20.8
95.04959	24.4
95.08613	18.7
97.06541	100.0
98.21547	15.3
105.07039	15.1
107.08628	12.3
109.06539	7.9
115.07590	24.1
117.07000	7.8
119.08624	9.9
119.53448	7.5
121.10185	10.6
122.61675	7.8
131.08647	8.4
133.10150	13.0
135.08017	9.4
137.86130	6.5
163.11223	10.7
173.97978	7.1
273.18573	8.1
298.11920	6.6
329.06705	8.6
330.07278	18.3
345.09717	32.8
348.01550	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	344.2434
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05319	10.1
53.03934	10.3
55.05494	36.8
57.03436	13.1
67.05512	57.6
67.47782	9.5
69.03423	12.2
69.07063	19.7
70.06580	10.3
71.04995	20.0
71.51423	14.8
76.05870	10.1
79.05518	49.6
81.03399	18.8
81.07061	28.6
82.06568	10.4
83.04979	13.0
83.08601	27.0
86.09710	10.4
91.05468	33.8
93.07031	60.2
95.04967	16.2
95.08611	33.6
97.10176	22.2
105.07011	26.4
107.08596	32.6
109.06569	15.1
109.10168	21.6
117.07011	13.1
119.08595	29.3
119.27941	9.6
121.10097	16.1
123.08046	13.6
131.08614	13.0
135.11707	15.0
137.09610	19.1
154.12299	12.9
173.11977	9.6
189.11182	12.4
214.16060	16.2
270.39932	9.9
291.19626	10.6
318.83237	10.3
344.25897	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	0.5
55.08356	0.4
57.03436	1.1
61.02922	1.5
65.03936	0.5
69.03440	3.4
69.49197	2.8
71.04983	0.6
73.02924	0.5
81.03412	1.5
85.02909	15.6
91.03986	0.6
91.05476	4.9
95.05035	0.5
95.92061	0.5
97.02900	4.1
99.04450	0.8
99.91322	0.5
101.50010	0.4
102.90024	0.4
109.02885	1.3
119.04955	21.3
122.63133	0.5
123.04421	2.1
127.03934	2.4
145.04974	3.3
147.04422	100.0
148.04799	1.2
156.13998	0.6
165.05492	49.9
166.05904	0.5
170.63084	0.6
180.08649	1.1
183.15012	0.5
318.53149	0.5
344.13446	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1342
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35980	0.6
53.03934	1.0
55.01875	0.7
57.03440	1.2
60.04520	0.6
61.02942	1.4
69.03444	4.3
69.18762	5.9
81.03418	1.1
81.77979	0.6
85.02438	1.0
85.02914	16.2
91.03943	0.8
91.05477	4.9
97.02895	3.6
109.02883	1.9
115.27305	0.5
119.04955	19.6
119.75224	0.6
120.08181	0.8
123.04429	2.0
127.03924	2.6
130.80182	0.6
137.06000	0.7
138.09222	1.1
145.04980	3.3
147.04420	100.0
165.05493	49.5
180.08813	0.9
182.08205	0.8
250.62807	0.6
316.13861	1.1
344.13641	1.3
344.29303	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.7
55.01883	2.0
56.96570	10.5
57.03448	5.1
58.03791	0.4
59.05010	1.7
61.02935	3.3
69.03085	1.0
69.03442	16.0
69.03824	0.8
70.03770	0.6
70.06598	1.3
71.01362	11.2
71.04997	1.5
71.50297	0.9
71.95291	0.5
72.08187	1.1
73.02927	4.4
78.39879	0.4
81.03445	2.9
82.05348	0.8
83.01355	0.6
83.05007	1.0
84.08156	1.7
84.96046	6.5
85.02916	19.5
86.03267	0.7
87.04477	11.4
91.04007	0.5
91.05473	0.7
95.00805	0.7
95.01355	0.7
95.04987	0.7
96.08144	1.3
97.02901	16.2
97.03530	0.8
98.03237	0.6
98.09705	0.6
98.96947	0.9
98.97596	18.0
99.04472	2.1
101.00871	2.1
101.02415	0.9
103.00584	0.5
103.03954	0.6
104.01324	0.6
107.04953	0.7
108.08138	3.8
109.02895	1.4
109.07652	0.9
110.01315	0.7
110.97578	16.7
111.04469	0.5
112.99162	2.8
113.00874	1.9
113.02386	4.1
115.03954	2.6
116.98622	3.3
118.06544	0.5
119.01884	2.4
119.04963	1.2
123.04471	1.6
124.99180	1.0
126.97059	1.6
127.00694	1.5
127.03915	3.1
128.98630	8.3
129.01855	6.1
129.02820	0.8
131.00136	0.9
131.01895	1.9
131.03459	0.9
132.01952	0.5
133.01642	0.8
134.99632	0.7
136.07594	75.5
137.07941	1.0
137.10751	0.9
138.05513	4.8
138.97025	1.5
139.01505	0.5
139.02515	0.6
140.02310	0.9
140.98631	1.8
143.00175	2.8
143.01930	1.4
144.98116	2.0
145.01640	1.6
145.03482	1.4
145.04971	2.7
146.02333	1.0
146.06015	1.5
146.99663	1.2
147.03194	0.5
149.02943	0.8
150.97006	0.7
151.01534	0.7
152.98611	1.4
154.02046	1.1
155.01855	0.9
156.98151	4.3
157.01639	0.6
157.03503	1.7
158.99667	6.1
159.01338	1.9
160.01881	0.5
160.97549	0.6
161.01212	1.5
161.03043	0.7
161.53259	1.5
162.03648	1.0
162.99080	0.7
163.02667	0.9
164.05733	0.7
164.07086	10.4
165.05486	1.8
165.10358	2.2
166.10582	0.5
168.98143	1.0
169.03387	0.7
170.99643	3.5
173.01193	1.2
173.02866	0.9
174.99170	5.2
175.02634	1.7
175.05330	0.7
176.03473	1.1
177.00775	2.2
182.03462	1.8
182.08148	100.0
182.99721	0.8
183.08495	1.3
184.03313	0.8
184.04834	3.2
184.97578	1.8
186.02963	0.6
186.99181	1.9
187.00868	0.8
187.02719	1.1
189.00719	1.8
191.03868	4.7
192.04724	0.9
193.00189	0.5
196.97607	1.0
197.02916	0.9
198.02986	0.7
198.99112	0.6
200.07687	0.6
201.00703	2.0
201.02419	0.7
202.02898	0.6
202.98660	1.3
203.02274	1.1
203.03984	0.6
210.02774	0.7
213.00740	1.1
213.02495	0.8
214.98671	0.9
215.02145	1.1
217.00214	0.6
217.54034	0.7
219.01755	5.4
223.06767	0.9
224.04346	0.6
228.01189	0.5
229.00165	0.5
231.03464	1.7
232.04115	0.9
232.99680	1.0
233.55342	1.0
237.03029	2.6
240.96202	0.5
241.00174	1.0
245.06465	0.8
246.04160	0.6
247.01132	0.5
247.04726	1.1
248.05466	0.7
261.02805	0.8
262.58899	0.6
263.07205	0.4
275.04181	0.7
284.09549	0.6
285.07153	0.5
302.07178	1.5
307.06860	0.6
314.57928	0.9
326.12399	0.6
328.07373	0.7
331.03372	0.7
344.09323	1.1
344.13272	3.9
345.01193	1.3
345.16516	2.7
349.04343	2.1
363.02078	0.9
367.09140	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2269
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
51.47628	3.5
53.03936	8.2
54.44913	3.0
55.01863	8.0
55.05517	17.5
57.03432	11.7
57.07067	12.6
59.04988	8.4
59.65827	3.1
62.63301	3.4
65.03940	5.1
67.05509	34.1
69.03422	13.2
69.07062	9.5
69.18353	34.5
70.49432	3.1
71.05006	26.3
79.05499	30.0
81.03428	4.3
81.07071	41.6
83.04987	7.8
87.04467	4.7
91.05486	45.7
93.06478	6.3
93.07053	89.5
95.04983	66.1
95.08617	100.0
97.03824	3.2
97.06523	21.0
103.05479	6.7
105.04521	3.8
105.07045	93.4
105.08412	3.2
105.21627	3.1
107.04920	7.8
107.08604	64.4
109.06553	22.4
109.10191	6.2
111.08047	3.6
115.05488	9.7
117.07025	33.9
119.08596	40.2
121.06519	20.8
121.10140	22.0
123.08072	28.0
123.11700	9.6
128.06171	6.1
129.07004	6.0
130.07788	24.7
131.08560	11.3
133.06477	10.0
133.10141	27.0
135.08081	35.2
135.11719	23.3
137.06000	5.3
137.09602	10.4
142.07771	4.0
143.08569	17.0
144.09361	3.9
145.06516	4.2
145.10139	96.0
147.08040	15.8
147.11714	7.0
149.09598	9.9
151.07565	53.5
153.09105	6.2
155.08533	4.1
157.10115	12.1
159.11679	14.0
161.05992	4.6
161.09641	8.1
161.13211	4.9
163.11185	77.8
165.06950	3.1
165.09143	29.8
169.10077	5.4
171.11676	4.9
173.09659	9.9
173.13286	6.1
175.11203	4.2
177.09064	7.7
179.07045	5.1
179.10695	3.4
183.11702	4.0
185.13252	6.0
187.11194	6.4
187.13306	6.3
187.14771	3.9
189.08981	4.4
189.12758	16.2
191.14308	5.7
197.13281	3.7
203.14355	9.3
207.13702	6.6
209.13303	7.4
209.15288	4.2
215.14435	4.1
217.12199	3.5
221.15363	37.6
223.14989	4.0
225.12761	3.7
233.15291	3.7
240.23218	11.3
243.13800	4.2
263.16495	11.9
269.15350	3.9
286.19287	5.5
287.16522	4.2
287.19934	5.2
325.21692	14.5
343.18802	6.8
343.22711	90.2
343.26880	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2272
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
51.20132	4.1
53.03955	6.3
55.01865	7.4
55.05500	19.3
57.03433	5.2
57.07080	11.4
59.04994	4.5
59.93950	5.3
62.14327	5.0
62.59506	4.6
67.05519	26.3
69.03454	11.0
69.07066	10.3
69.36093	37.3
71.05005	13.1
79.05508	23.6
81.07056	39.6
83.04980	5.4
91.05492	46.7
91.41678	5.0
93.07053	80.8
95.04986	60.8
95.08610	84.2
97.06515	19.0
105.06399	7.0
105.07052	93.8
107.04967	8.1
107.08598	55.9
109.06522	18.7
109.10145	7.6
117.07050	27.1
119.08581	38.3
121.06528	19.3
121.10139	17.6
123.08063	33.7
128.06201	5.3
130.07809	19.7
131.08583	15.5
133.10143	24.0
135.04558	5.0
135.08109	26.0
135.11682	18.8
137.05992	10.7
137.09605	6.0
143.08524	18.5
144.09302	5.1
145.09073	7.8
145.10136	100.0
147.08064	18.4
147.11673	10.3
151.07544	50.9
156.09386	6.5
157.10112	11.9
159.11713	10.8
161.09631	5.4
161.13243	9.2
163.11212	65.0
165.09117	14.4
169.10126	6.6
171.11632	8.2
173.09575	8.7
173.13306	8.3
175.11142	6.7
177.09097	6.5
185.09637	5.8
187.11157	5.9
189.12720	8.2
195.11684	5.2
197.13313	4.9
203.14371	9.2
207.11819	5.9
207.13774	7.3
221.15331	37.8
233.15445	5.8
240.23228	13.9
268.53690	5.2
286.19449	6.9
325.21643	13.3
343.11523	8.0
343.22714	79.4
343.26437	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	343.1756
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09998	5.8
55.05512	11.0
59.04990	7.6
62.58907	6.3
67.05508	9.1
69.07065	32.4
69.80878	27.4
79.05502	10.2
81.07061	26.0
82.90358	6.1
91.05517	32.6
93.07035	13.9
95.08621	15.4
97.06573	9.1
104.74944	5.5
104.75809	6.4
105.07053	36.1
107.04963	15.5
107.08620	14.8
108.53033	7.7
109.06550	6.9
109.10138	8.4
111.04458	8.2
117.07047	8.4
119.08581	35.1
120.21844	6.0
121.06525	9.0
121.10178	7.2
123.11788	8.7
128.06245	16.0
129.06981	10.8
131.08600	37.9
133.10120	25.9
137.05943	8.4
141.07039	9.1
143.08574	21.6
145.10164	32.1
147.08067	34.0
149.21637	7.5
159.08058	50.0
161.06041	13.1
161.09653	66.3
163.07651	8.1
171.08046	8.9
171.11754	6.5
173.13286	9.1
177.09126	100.0
183.11777	10.0
189.09152	68.7
189.12827	22.6
201.12781	34.8
207.10118	11.3
207.13792	12.8
217.12283	47.0
219.10258	31.3
219.13852	19.5
229.12305	24.7
235.13274	22.1
247.13417	13.5
343.11728	17.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1753
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28271	0.9
53.03942	2.7
55.01851	1.7
55.05510	2.5
56.32183	0.9
57.03432	3.5
57.07065	2.5
61.02922	4.6
67.05502	1.7
69.03430	18.7
69.07053	1.8
71.04999	2.1
71.27235	1.5
73.02921	2.0
79.05489	4.2
81.03413	6.3
81.07064	10.6
83.04994	7.0
85.02910	36.1
87.04463	1.6
90.40892	0.9
91.03966	2.5
91.05479	5.8
93.07053	10.7
95.04977	17.1
95.08601	2.3
97.02905	12.1
97.06551	4.8
99.04477	2.1
101.64487	1.0
103.03979	1.3
105.07038	10.7
107.04958	4.6
107.08614	12.7
108.89930	1.0
109.02880	3.7
109.06536	4.0
115.05421	1.1
117.07018	5.1
119.08610	4.8
121.06504	3.8
121.10161	10.7
123.08035	1.5
125.06010	11.5
127.03891	8.9
129.06966	1.5
130.07788	4.2
133.06555	1.4
133.10117	2.0
135.08017	1.5
135.11728	8.2
137.05972	3.9
137.09560	1.3
143.08543	1.4
145.04973	7.8
145.10120	16.1
147.08049	2.1
151.07515	1.2
161.06047	1.1
163.11186	100.0
164.11517	2.0
165.09135	2.3
167.06992	1.3
175.07556	1.2
175.11197	1.7
181.04836	1.1
181.12242	23.0
183.10120	1.2
207.99805	1.1
218.81657	1.2
223.13347	2.6
282.08716	1.2
293.08273	1.0
301.42032	1.0
307.15308	1.2
325.10611	2.1
343.18042	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2273
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
53.03949	5.9
55.01875	6.1
55.05510	28.3
57.03435	16.1
57.07063	7.7
59.04997	6.9
67.05520	34.8
69.03436	14.4
69.07078	6.5
71.04989	23.2
79.05492	33.2
81.03387	9.1
81.07072	41.0
83.04984	10.6
85.06610	6.2
91.05495	43.8
93.07057	86.7
95.04981	55.0
95.08617	97.1
97.06551	13.9
100.95749	5.0
105.07048	86.0
107.08596	65.4
109.06532	19.6
109.10148	13.5
111.08103	6.5
117.07014	32.2
119.08595	33.4
121.06519	24.6
121.10141	26.6
123.08090	26.3
128.06226	8.0
129.07021	12.6
130.07799	18.1
131.08595	17.5
133.06544	8.9
133.10127	22.4
135.08087	34.1
135.11713	12.2
137.05899	6.8
137.09624	8.7
143.08595	6.7
145.10132	90.0
147.08089	16.7
151.07573	44.6
153.09131	6.2
157.10164	12.4
159.11710	11.7
161.06024	7.5
161.13214	9.1
163.11211	77.2
165.09152	15.2
171.11693	13.2
171.63408	5.5
173.09700	7.6
173.13249	5.9
175.11024	5.5
177.09114	7.9
179.10748	6.4
187.14891	6.7
189.12791	12.9
191.72900	5.2
203.14272	10.7
207.13895	8.9
209.13136	5.9
221.15338	28.8
240.23312	13.3
263.16418	8.2
282.27924	12.1
284.10568	5.9
293.88254	5.8
325.21680	10.7
328.89072	5.4
343.18860	7.3
343.22729	100.0
343.26370	15.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1756
Annotation	Unknow
Peak:m/z	Relative Intensity
55.29804	6.7
55.71928	5.2
67.05500	10.2
69.03435	8.6
69.07063	9.1
70.62611	7.6
70.62966	15.9
79.05495	12.0
81.07057	20.0
83.04984	9.3
91.05492	31.6
93.07050	21.3
95.05028	10.3
95.08604	9.9
95.18601	4.8
103.05502	6.1
105.07053	45.2
107.04951	17.1
107.08630	13.3
109.06512	9.3
115.05523	5.1
117.07018	15.4
119.08633	37.1
121.06493	11.1
121.10180	8.5
123.08031	9.6
128.06216	13.7
129.07040	11.0
131.04984	7.7
131.08591	41.0
133.06549	6.5
133.10147	23.9
135.08057	9.1
137.05992	10.2
143.08582	24.9
145.10141	35.1
147.08067	23.3
149.09633	13.6
157.06479	5.4
157.10124	7.3
159.08102	43.8
161.05983	10.0
161.09630	58.5
163.11244	9.7
167.07112	7.5
173.13301	10.9
175.07587	8.7
177.09143	100.0
181.12201	6.1
183.11768	7.5
189.09134	80.8
189.12775	15.1
199.11229	14.8
201.12756	34.5
207.10233	12.5
207.13751	11.2
217.12267	44.5
219.10173	24.2
219.13741	7.3
221.75475	6.4
229.12259	25.1
235.13274	20.7
247.13309	12.3
265.08606	6.8
311.08936	5.8
343.11954	20.8
343.15646	7.2
343.19067	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	343.1753
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28271	0.9
53.03942	2.7
55.01851	1.7
55.05510	2.5
56.32183	0.9
57.03432	3.5
57.07065	2.5
61.02922	4.6
67.05502	1.7
69.03430	18.7
69.07053	1.8
71.04999	2.1
71.27235	1.5
73.02921	2.0
79.05489	4.2
81.03413	6.3
81.07064	10.6
83.04994	7.0
85.02910	36.1
87.04463	1.6
90.40892	0.9
91.03966	2.5
91.05479	5.8
93.07053	10.7
95.04977	17.1
95.08601	2.3
97.02905	12.1
97.06551	4.8
99.04477	2.1
101.64487	1.0
103.03979	1.3
105.07038	10.7
107.04958	4.6
107.08614	12.7
108.89930	1.0
109.02880	3.7
109.06536	4.0
115.05421	1.1
117.07018	5.1
119.08610	4.8
121.06504	3.8
121.10161	10.7
123.08035	1.5
125.06010	11.5
127.03891	8.9
129.06966	1.5
130.07788	4.2
133.06555	1.4
133.10117	2.0
135.08017	1.5
135.11728	8.2
137.05972	3.9
137.09560	1.3
143.08543	1.4
145.04973	7.8
145.10120	16.1
147.08049	2.1
151.07515	1.2
161.06047	1.1
163.11186	100.0
164.11517	2.0
165.09135	2.3
167.06992	1.3
175.07556	1.2
175.11197	1.7
181.04836	1.1
181.12242	23.0
183.10120	1.2
207.99805	1.1
218.81657	1.2
223.13347	2.6
282.08716	1.2
293.08273	1.0
301.42032	1.0
307.15308	1.2
325.10611	2.1
343.18042	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	8.4
55.63236	1.6
56.43203	1.9
57.03448	1.9
57.07082	12.9
61.02922	2.6
63.15698	1.6
63.36934	1.6
69.03455	4.3
70.06589	8.3
70.65948	5.0
79.05489	2.1
83.08617	4.7
85.02925	12.3
86.09746	2.7
89.06041	35.8
97.02888	3.6
99.04484	1.7
101.09666	16.8
101.28212	2.0
107.06406	2.9
107.07085	37.6
137.06039	3.2
145.04987	3.1
163.13327	100.0
175.07614	2.3
211.14554	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.3731
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	0.2
56.05029	0.2
57.07080	8.3
58.06604	1.2
60.04552	0.2
62.06092	3.2
66.16798	0.1
69.07064	0.4
70.48296	0.4
71.08636	4.5
72.08160	1.4
77.49082	0.2
85.10187	0.9
98.21472	0.2
124.48374	0.2
156.17488	1.7
170.19026	0.3
172.17021	0.2
174.17017	0.3
174.18546	5.1
202.21651	0.6
212.23743	1.5
226.25262	0.2
228.23218	0.2
230.24818	4.2
298.34726	0.2
324.36310	1.0
342.37314	100.0
343.37643	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.0213
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32784	1.1
55.61907	1.2
56.96570	5.7
71.31889	2.2
74.33952	1.1
80.32472	1.2
98.97593	41.2
115.29834	1.2
116.98627	17.5
119.01934	1.5
131.03738	1.2
134.99677	3.2
150.03107	1.4
156.84639	1.2
158.99861	1.6
174.97610	7.1
176.97398	2.6
177.00897	5.9
192.98720	3.9
194.98480	2.7
198.97708	4.1
216.95515	6.1
216.98773	20.0
217.98903	2.7
218.98463	12.4
219.02003	11.1
220.02238	1.7
222.97874	2.1
234.96471	7.4
234.99820	23.0
235.99930	2.7
236.99481	11.8
240.98885	13.7
243.02083	1.6
252.97414	2.0
258.96597	10.7
259.00006	40.0
260.00171	2.9
261.00232	2.0
261.03058	12.0
263.03027	1.6
264.99106	3.5
273.98807	1.9
276.97604	15.2
277.01035	17.4
278.00977	1.7
279.00775	2.2
283.00003	100.0
284.00131	5.9
294.98749	2.5
300.97592	41.1
301.01102	88.3
302.01147	6.8
317.98969	1.8
318.98688	49.0
319.02142	3.8
319.98499	1.8
325.01080	17.2
342.98593	11.0
343.02191	62.8
344.02322	3.3
360.99448	19.6
361.03635	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	341.255
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10100	0.4
55.01878	0.8
55.05530	0.4
62.81093	0.4
63.96236	0.4
67.05476	0.4
69.03425	1.1
69.07082	1.3
70.06596	100.0
70.17799	1.7
71.06931	0.6
72.08159	23.3
79.05513	0.5
81.03410	0.4
81.07057	0.7
83.06106	0.7
84.08161	0.5
85.02912	0.5
86.09711	11.6
87.04472	0.7
87.48973	0.5
89.06023	1.1
89.10797	8.6
91.05496	0.8
93.07053	1.0
94.04172	0.6
95.05000	0.6
97.02939	0.7
97.06528	0.5
99.09227	1.8
100.07648	1.5
103.03941	1.1
103.05470	1.8
105.03418	0.8
105.07029	1.1
106.52625	0.5
107.04968	0.8
109.06498	0.6
111.04471	0.6
115.08685	3.6
119.04926	0.5
119.08601	0.8
121.06488	0.7
121.10114	0.5
122.03664	1.2
123.04452	0.7
123.08038	0.7
128.06255	0.9
128.10722	5.7
129.07034	1.3
131.04956	2.3
131.08571	0.4
133.02907	0.8
136.07578	0.6
137.05991	11.7
144.05750	0.6
151.07587	0.9
153.05453	0.7
157.06519	0.8
159.11551	0.4
161.05969	1.3
161.09584	0.6
162.06816	0.4
163.07561	2.1
165.05513	0.5
167.07062	1.6
168.14995	4.5
169.13374	12.3
174.06804	1.1
175.07584	1.3
179.03401	1.4
179.06866	0.5
180.10330	0.5
181.04982	1.1
182.12929	0.9
186.16029	94.4
187.07545	4.1
187.16327	1.2
189.09138	1.6
191.06877	0.4
191.08572	0.8
202.07841	0.6
203.08598	1.6
205.06812	0.9
207.08070	0.6
217.08553	2.3
219.08072	1.5
220.08835	0.7
221.09618	0.5
227.07129	0.5
231.08101	1.7
247.07611	1.1
248.08330	1.5
249.09106	0.7
251.10840	0.8
253.08907	0.5
255.06459	0.8
259.07608	0.6
260.08478	0.5
263.10718	2.0
265.08575	1.1
270.08932	0.6
271.09586	0.7
276.07767	0.7
277.08649	0.6
279.10147	1.0
281.11673	0.7
291.10123	3.7
292.10916	0.7
293.08035	0.7
296.10510	0.7
311.12872	1.5
323.12689	3.9
341.13937	2.6
341.25510	17.6
342.25894	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2113
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62877	1.9
55.05499	5.5
57.07063	1.9
61.38322	1.8
63.52987	1.8
66.30672	2.1
67.05495	9.2
69.07063	3.2
71.04984	4.7
71.05342	2.2
71.16367	4.1
79.05492	8.3
81.07053	12.9
85.06546	16.6
91.05479	8.8
93.07056	15.1
94.14334	2.1
95.08614	20.8
99.08056	2.5
105.07027	11.2
107.08591	9.2
109.06477	2.9
109.10146	5.2
111.08099	2.7
113.09633	3.4
119.08614	12.5
121.10143	9.1
123.08091	11.8
130.07741	2.3
131.08580	5.5
133.10162	12.0
135.08060	7.6
135.11681	3.7
137.05933	3.4
138.12402	2.2
142.07809	3.0
143.08549	3.9
145.10124	16.6
147.11652	2.9
149.09555	2.5
151.07555	100.0
153.42567	1.9
157.10139	2.8
158.16982	2.1
159.07916	3.1
159.11642	5.9
161.13274	4.7
165.09120	4.4
169.10056	3.5
172.08955	2.0
173.09663	3.9
173.13309	2.6
175.07590	6.1
177.09091	7.7
177.12772	2.0
183.11841	2.1
185.13199	3.2
187.11163	2.5
188.08327	2.7
189.09125	17.6
191.10686	19.1
191.14252	2.5
195.11920	2.1
201.09163	11.3
202.09915	4.4
203.10683	6.6
211.11151	2.7
213.09068	3.1
214.09842	3.1
215.10649	11.0
226.09850	3.1
227.10690	7.2
228.11288	2.5
229.12299	14.7
241.12285	8.0
243.13853	4.6
252.11520	3.0
253.12248	5.3
255.13823	5.0
256.14572	4.6
257.15488	13.1
267.13858	5.7
268.14417	2.9
271.16925	3.6
283.16989	26.3
305.19150	2.2
323.20047	14.6
341.21146	56.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03962	2.3
55.01876	8.9
55.05513	8.1
57.03438	8.2
57.07082	2.3
63.67166	1.8
67.01868	2.7
67.05510	16.7
69.03438	12.7
69.07072	8.2
69.72954	11.0
71.05006	2.1
71.91444	1.9
73.02923	6.2
73.74629	1.6
75.23825	1.8
75.75567	2.0
76.97184	1.6
79.05496	16.3
81.07066	49.0
82.26374	1.8
83.04985	6.5
83.08627	3.0
85.02907	14.9
85.06561	2.0
87.00823	2.0
91.05476	20.1
93.07054	26.5
95.04992	6.0
95.08616	23.4
97.02901	4.1
97.06551	3.2
97.10181	3.6
98.20674	1.9
103.05462	2.1
104.51359	1.6
105.07039	34.0
107.04992	4.2
107.08608	16.9
109.06541	6.2
109.10153	9.6
111.04497	3.5
111.08120	3.0
113.02377	90.1
115.03949	7.9
117.07030	9.6
119.04947	2.3
119.08594	25.1
121.06519	4.1
121.10168	8.8
123.04436	2.3
123.08054	3.0
123.11723	31.9
125.06013	3.2
129.05505	6.0
129.07062	3.8
131.03398	3.0
131.08594	27.1
131.35609	1.9
133.06494	2.2
133.10150	29.1
135.08087	3.1
135.11736	6.3
137.05994	5.8
140.12691	1.6
141.06990	2.5
142.07733	2.7
143.08569	5.5
144.09360	3.0
145.10143	25.1
147.08057	3.4
147.11710	21.1
149.05998	2.8
149.13303	8.6
151.11266	2.6
155.07085	3.5
155.08545	3.0
157.10149	7.9
158.10971	2.4
159.08078	4.7
159.11700	10.1
161.09688	11.9
161.13303	5.2
163.07570	3.3
163.11198	2.7
165.12755	5.8
168.09334	2.4
171.11693	4.1
173.09671	2.6
173.13264	35.5
177.12799	6.3
179.10674	9.9
183.11751	5.7
189.05504	2.6
189.12793	4.5
191.14246	10.5
201.12758	17.1
207.13756	3.8
213.92448	1.8
219.13821	42.5
237.14876	100.0
253.08626	2.9
265.10870	2.3
280.07324	1.9
295.15500	3.5
309.07568	4.5
309.10992	2.6
323.14966	5.7
341.10208	6.4
341.13565	2.1
341.16058	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	340.9881
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96632	7.4
60.97853	0.7
69.35793	0.6
69.36140	6.0
71.95319	1.4
77.44140	0.7
86.93760	0.6
95.15864	0.7
96.32332	0.6
98.96672	2.5
98.96986	3.6
98.97593	80.1
106.45919	0.7
114.95617	1.2
116.98632	27.6
132.96658	1.4
134.99649	5.7
140.00232	0.9
156.96558	4.6
173.97350	0.8
174.97688	20.1
174.99107	1.3
177.01045	0.9
190.94020	0.8
190.95708	2.8
192.98711	7.2
195.77481	0.7
198.97661	5.4
214.95668	13.5
216.98730	55.3
217.99019	1.1
219.02173	0.8
227.84200	0.7
232.96741	15.9
234.32164	0.7
234.99777	53.1
236.00047	1.3
238.95714	1.8
240.00258	0.8
240.98776	0.8
250.97780	6.0
253.01085	1.1
256.96732	27.9
257.96951	1.1
258.99786	14.0
261.02908	0.8
263.02808	1.0
274.97775	36.0
275.97745	1.8
277.00864	11.9
280.96796	3.4
289.96576	0.9
292.98895	4.3
298.97778	89.6
299.97830	4.3
316.98837	100.0
317.99020	4.4
334.99881	2.3
340.00366	2.3
340.98819	26.6
341.98972	1.2
358.99881	43.4
360.00024	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00307	0.9
55.05507	2.3
62.06096	15.9
63.16227	0.5
65.46744	0.6
67.05517	1.5
68.05039	4.5
69.03438	7.6
69.07080	1.2
70.02951	1.5
71.50893	0.9
78.03474	0.8
79.05505	0.7
80.01385	1.8
81.07062	1.5
82.02512	0.5
83.08606	0.9
85.06553	0.8
88.03983	0.8
91.05486	10.0
94.07399	0.7
95.08611	1.5
96.04505	10.6
97.02878	1.0
97.10168	1.2
98.02431	0.7
98.10512	0.6
99.00820	2.8
100.11269	2.6
103.05485	4.9
105.07031	0.9
109.10114	0.5
111.04476	1.2
122.10403	0.5
124.03969	100.0
127.02721	0.6
127.18535	0.6
129.07005	2.1
131.04912	1.2
142.05016	63.1
153.07037	0.6
157.06531	0.8
165.07018	2.3
166.07797	7.1
174.09203	1.0
178.07761	0.7
179.08583	1.7
181.10152	13.8
181.11656	1.2
182.10503	0.6
190.07816	0.8
191.08578	2.1
203.08578	1.6
204.09435	1.9
205.10158	6.2
210.14941	1.0
215.08615	8.8
218.07210	0.8
219.07671	0.6
233.09666	6.2
243.08090	1.6
248.08034	0.7
249.08904	0.7
261.09183	2.4
275.37219	0.6
276.72855	0.7
277.08603	0.7
279.10095	1.0
286.12375	0.7
304.13342	5.9
308.10162	1.1
322.14404	10.1
322.24542	0.7
340.12946	2.5
343.30859	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2896
Annotation	Glycidyl oleate
Peak:m/z	Relative Intensity
50.90657	0.7
52.83544	0.8
53.03949	1.7
55.05515	31.9
57.03439	10.4
57.07083	12.3
58.61849	0.8
67.05506	20.8
69.07071	40.4
71.04968	1.3
71.08635	7.5
77.66292	0.7
79.05502	8.5
81.07059	24.5
83.08620	24.2
85.06557	1.2
85.10173	2.9
86.74339	0.7
87.08056	0.8
91.05498	2.8
93.07049	11.9
95.08614	21.7
97.06529	3.6
97.10169	13.8
98.10506	0.9
98.21513	2.0
99.08148	0.8
105.07035	2.3
107.08592	7.6
109.10165	9.3
111.04604	0.9
111.08098	2.0
111.11708	4.4
119.08575	2.7
121.10147	11.2
123.11707	4.1
125.13272	1.0
128.10741	1.0
133.10107	1.2
135.11685	7.1
137.13286	1.3
145.10149	0.9
147.11693	2.2
149.13264	2.4
151.14854	0.9
163.14793	1.5
165.16417	0.7
247.24409	1.2
265.25323	3.0
283.16962	7.7
321.27814	1.4
339.28983	100.0
340.29144	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2534
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	17.1
57.03438	10.7
57.07068	8.7
65.03934	5.4
67.05511	100.0
69.07069	18.9
71.51149	6.0
79.05498	51.9
81.07059	87.1
83.08622	9.7
85.02895	5.5
85.06535	7.4
88.04891	5.0
91.05491	32.1
93.07058	54.8
93.91737	4.7
95.08617	79.9
101.46736	4.6
105.07030	30.6
107.08605	50.8
109.10165	58.0
111.08003	6.5
115.79448	4.5
117.07039	14.8
119.08574	21.0
121.10143	49.3
123.11718	18.2
131.08607	24.9
133.10115	23.5
135.11694	35.1
145.10107	28.8
147.11668	18.4
149.13278	22.1
159.11696	26.6
161.13293	10.9
163.14783	7.3
173.13280	19.3
187.14748	10.0
219.21083	7.3
229.19569	28.3
247.20605	90.0
265.21573	5.8
266.87082	5.5
283.16925	13.9
321.24234	8.5
339.25348	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	339.2533
Annotation	11,12-DHET
Peak:m/z	Relative Intensity
53.03937	2.4
55.01880	2.1
55.05517	46.3
57.03422	1.5
57.07064	3.1
65.03925	1.5
67.05512	9.7
69.03437	4.5
69.07076	22.0
69.16080	9.2
71.08612	0.8
79.05511	5.5
80.45544	0.8
81.07063	31.8
83.04967	2.5
83.08623	3.7
85.06550	11.3
87.08115	1.1
91.05482	4.8
93.07056	15.0
95.04974	5.2
95.08613	37.8
97.06558	5.3
97.10178	100.0
98.10512	1.0
99.08138	4.9
101.06035	9.2
105.07043	9.5
107.08601	15.3
109.06512	3.0
109.10166	15.7
111.08085	9.9
111.11710	1.1
113.09655	1.0
117.06976	1.2
119.08589	7.9
121.10163	8.6
123.08075	1.8
123.11708	9.2
125.09645	23.9
131.08583	1.8
133.10121	4.8
135.08002	1.3
135.11732	8.2
137.05972	1.9
137.09599	2.5
137.13234	1.0
139.11186	3.7
143.10684	45.7
145.10133	2.7
147.08118	1.3
147.11694	3.4
149.13234	5.5
151.11179	7.3
151.14830	3.7
153.12759	1.6
159.11679	2.1
161.13261	4.2
163.11208	1.6
163.14821	1.3
165.09145	0.9
165.12746	2.2
171.10199	4.3
173.13275	2.3
175.14854	2.3
177.05482	1.1
177.12755	1.2
179.14311	1.3
187.14780	1.2
189.11264	5.4
195.13794	1.5
203.17926	1.3
206.07060	0.9
219.08162	1.1
235.07596	1.8
235.17003	1.7
243.17310	1.1
247.07584	1.6
264.07788	1.6
265.08533	1.1
275.23697	1.5
279.10275	1.7
285.22055	1.4
303.23187	6.2
307.09595	3.3
309.24356	1.4
311.12662	1.5
321.24280	12.8
331.08917	1.0
338.37637	1.1
339.12189	5.3
339.25403	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	339.2533
Annotation	11,12-DHET
Peak:m/z	Relative Intensity
52.76699	1.2
53.03947	3.1
53.41837	1.2
54.23970	1.3
55.01869	5.9
55.05516	59.8
57.03425	3.0
57.07081	3.4
59.05000	1.6
63.84304	1.5
67.05180	1.6
67.05515	17.8
69.03425	4.2
69.07074	43.9
69.74586	2.4
69.74988	5.2
71.05000	1.9
79.05504	11.7
81.03417	2.0
81.07069	56.4
83.04986	5.9
83.08636	3.6
85.06555	30.1
91.05493	5.1
93.07047	26.7
95.04980	6.8
95.08003	2.1
95.08615	57.9
97.06548	12.2
97.10181	100.0
99.08113	9.3
101.06023	22.3
105.07024	17.2
107.04956	1.6
107.08608	24.7
109.06526	4.9
109.10157	23.1
111.08091	46.6
111.11762	8.1
119.08566	10.7
121.10146	23.1
123.08080	4.4
123.11720	17.3
125.09628	23.8
125.97434	1.6
131.08632	2.0
133.10138	8.9
135.11708	11.0
137.05983	2.4
137.09625	3.7
137.13268	3.6
139.10226	1.1
139.11191	24.1
143.10684	35.1
145.10146	4.5
147.11717	11.5
149.09628	2.8
149.13297	7.9
151.10149	1.6
151.11148	10.3
151.14835	3.5
153.12733	3.6
157.12263	13.3
159.11710	3.4
161.09718	1.8
161.13298	7.0
163.11156	3.3
163.14824	2.9
165.12781	10.9
166.49065	1.4
171.10150	4.9
171.11494	1.5
173.13380	2.0
175.14735	1.6
177.12758	2.4
179.14365	2.1
183.13776	4.3
187.14809	2.8
189.11180	3.4
195.17528	2.6
197.15533	2.2
201.16420	1.5
203.12715	2.1
203.17912	2.9
207.08087	2.9
218.07330	1.9
219.08043	2.7
221.19029	1.6
223.16862	2.3
229.08607	2.1
235.07555	2.0
236.08206	1.9
247.07524	2.0
249.09109	1.8
250.06459	1.6
251.10529	3.0
263.06937	2.3
264.07837	3.5
265.08725	1.5
275.23648	3.6
277.21411	1.7
278.09204	1.7
279.10162	3.9
285.22177	1.8
292.07211	2.2
293.24637	2.2
303.23199	17.3
307.09653	7.2
311.12665	4.9
315.33676	1.6
321.24277	23.2
321.80801	1.4
339.12335	16.6
339.25244	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	339.2535
Annotation	11,12-DHET
Peak:m/z	Relative Intensity
53.03947	1.7
55.05517	47.6
57.03428	2.1
57.07077	2.3
67.05513	7.1
69.03432	2.2
69.06733	1.4
69.07076	18.4
69.47459	1.7
69.47875	3.8
71.04991	1.4
71.08643	1.1
79.05505	3.5
81.07066	22.0
83.04999	1.1
83.08620	4.5
85.06550	2.9
85.53412	0.8
87.08088	1.0
91.05483	2.7
93.07066	7.5
95.04977	2.2
95.08624	29.8
97.06563	2.5
97.10183	100.0
99.08086	1.7
99.72498	0.7
101.06021	2.7
105.07050	4.5
107.08602	7.7
107.14046	0.9
109.06516	1.4
109.10163	11.5
111.08112	4.2
111.11737	1.3
119.08588	5.3
121.10142	5.5
123.08075	2.0
123.11703	5.4
125.09647	16.7
128.06174	1.0
131.08612	1.4
133.10141	3.0
135.11748	3.9
137.09612	1.9
137.13298	2.3
139.11195	5.6
141.09113	1.8
143.10692	35.5
143.11842	1.9
145.10129	1.3
147.11728	2.9
149.13272	3.8
151.07553	1.3
151.11191	1.7
151.14812	3.7
153.12756	1.4
155.10683	0.9
157.10139	1.2
157.12259	2.7
159.11723	1.3
161.13260	3.2
163.11214	1.6
165.12770	2.1
167.14389	1.7
171.10178	4.2
173.13333	1.4
175.14818	0.8
177.12831	1.5
179.14331	4.6
187.14919	2.0
189.11218	5.1
189.12726	1.5
191.08684	1.3
195.13765	1.7
200.15186	1.3
205.06442	0.8
209.15434	1.0
218.07309	1.6
219.08086	2.4
221.06065	1.5
235.07681	1.6
236.08546	1.1
247.07590	2.0
250.05997	0.9
264.07892	1.1
265.08655	1.3
277.21658	1.3
279.10187	1.6
285.22025	1.4
303.23196	5.5
307.09534	3.9
309.24240	1.2
311.12955	2.2
321.24298	29.6
321.28082	1.4
339.12344	9.2
339.25497	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	339.2532
Annotation	11,12-DHET
Peak:m/z	Relative Intensity
53.00977	2.0
53.03949	3.4
55.05515	16.7
57.03437	5.8
57.07065	7.2
62.32573	1.5
65.03949	4.3
67.05510	100.0
68.05851	1.7
68.17361	1.5
69.07078	14.2
71.04991	3.5
71.08582	2.0
71.24830	2.3
71.25171	2.5
79.05499	48.8
81.07061	95.9
83.04964	3.2
83.08622	7.3
85.06532	2.7
91.05487	29.1
93.07049	63.3
95.04962	3.7
95.08614	98.4
97.06543	4.2
97.10176	3.3
99.08092	1.8
105.07033	25.9
107.08604	48.1
109.06571	1.8
109.10162	54.6
111.08068	2.1
117.07047	8.9
119.08593	19.7
119.64076	1.6
121.10154	46.2
123.11708	22.6
125.09628	3.6
131.08580	18.9
133.10143	20.4
135.11700	34.6
136.60953	2.0
137.13272	5.0
139.11208	3.5
145.10136	20.7
147.00977	1.6
147.11690	17.7
149.09666	1.8
149.13289	23.3
151.11201	2.9
159.11702	20.7
161.13290	4.9
163.14853	8.2
165.12796	1.8
173.13301	14.8
175.11171	2.1
175.14857	1.8
177.12813	1.8
187.14886	6.7
189.16403	2.6
189.81461	2.2
219.21111	4.2
229.19533	25.4
247.20586	99.3
248.20908	1.6
256.61401	1.8
265.21646	6.1
283.16882	14.9
321.24222	9.1
339.25317	23.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2535
Annotation	11,12-DHET
Peak:m/z	Relative Intensity
53.00931	1.4
53.03941	4.4
55.01867	1.7
55.05516	18.7
57.03453	8.6
57.07076	4.5
65.03942	3.5
67.05514	95.5
69.07072	14.4
70.90516	3.5
71.04994	2.6
74.21649	1.8
77.03900	1.9
79.05505	50.2
81.07069	100.0
83.04990	1.5
83.08615	7.3
85.06548	3.3
86.02475	1.4
87.78945	1.5
91.04974	2.3
91.05489	22.5
93.07059	61.0
94.07372	1.7
95.04968	3.2
95.08619	95.2
97.06516	4.3
97.10180	3.6
99.08056	2.6
105.06397	2.2
105.07051	24.4
107.07878	2.8
107.08609	48.6
109.06503	3.2
109.10172	57.7
113.09602	1.8
117.07011	10.8
118.78902	1.5
119.08608	22.5
121.09324	3.1
121.10159	39.4
123.11732	23.3
125.09648	2.2
131.08585	19.3
133.10141	17.9
135.10706	2.6
135.11713	34.7
137.09612	2.3
137.13278	3.9
139.11151	2.0
145.10147	19.0
147.11702	15.0
149.13280	20.5
151.11174	2.9
156.09351	1.5
159.11713	25.2
161.13284	6.1
163.14801	6.2
164.17867	1.8
165.12749	2.2
173.13278	16.7
175.14948	1.7
187.14838	5.3
189.02835	2.0
193.04959	2.3
219.21101	6.0
229.19557	27.8
247.20604	92.7
248.20874	1.7
265.21613	6.4
277.53256	1.9
321.24377	10.4
339.25314	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	339.2534
Annotation	11,12-DHET
Peak:m/z	Relative Intensity
53.03946	2.3
55.01868	2.6
55.05518	43.7
57.03449	2.8
57.07071	3.0
66.39317	1.4
67.05503	9.7
69.03425	4.7
69.06722	2.3
69.07073	22.5
70.06576	1.3
71.05003	2.2
71.51302	1.3
73.02908	1.3
79.05489	5.9
81.03399	2.0
81.07064	29.2
83.04971	2.2
83.08630	4.6
85.02901	2.3
85.06542	4.7
91.05502	8.9
92.12761	1.2
93.07045	11.2
95.04958	4.9
95.08618	39.6
97.06528	3.8
97.10178	100.0
99.08089	1.9
105.03403	2.4
105.07050	14.7
107.08592	12.9
109.06545	3.5
109.10174	14.6
111.08080	4.7
111.11749	2.5
117.06990	1.8
119.08613	9.7
121.06487	1.9
121.10150	11.9
123.08089	2.9
123.11718	6.2
125.05988	1.8
125.09651	18.1
131.04933	1.7
131.08582	5.8
133.10150	5.7
135.04350	1.5
135.08047	2.8
135.11705	5.0
137.05989	4.7
137.09608	2.5
137.13321	1.6
139.11176	5.0
143.08531	1.9
143.10686	32.8
145.06526	1.7
145.10143	3.6
147.11748	7.4
149.09721	1.8
149.13274	3.1
151.07579	1.8
151.11186	2.6
151.14824	3.1
157.10132	3.2
157.12297	2.6
159.11691	6.9
161.09735	1.7
161.13257	4.9
163.11209	1.8
163.14841	3.3
165.12770	2.6
167.14322	2.3
171.10222	2.4
171.11676	2.9
173.13293	2.1
175.14836	2.3
177.05475	1.6
177.09117	5.0
177.12808	3.8
179.14334	2.7
189.11270	5.8
189.16432	6.3
191.08588	2.1
199.14874	2.5
206.15317	1.6
208.08684	1.9
217.15836	6.5
218.07245	2.6
219.08026	5.3
221.06013	1.7
226.57545	1.5
235.07466	2.3
235.16875	2.7
236.08130	3.0
246.06816	1.7
247.07591	5.3
251.10689	2.4
261.09247	1.5
263.07013	2.3
264.07889	3.1
275.06897	2.5
275.23669	1.5
278.09467	1.4
279.10168	4.5
281.08200	1.8
282.08572	2.5
285.22144	2.0
292.07275	3.0
293.08054	2.1
301.18625	1.5
303.23172	6.6
307.09641	12.2
311.12729	3.2
321.24219	27.6
339.05124	2.7
339.08740	1.7
339.12292	11.9
339.26480	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2534
Annotation	11,12-DHET
Peak:m/z	Relative Intensity
53.03939	1.4
55.01868	3.7
55.05518	45.1
57.03428	2.3
57.07071	2.7
65.03944	1.4
67.05515	11.7
69.03417	3.4
69.07074	21.2
71.05005	1.7
71.51411	1.7
74.60440	1.3
79.05507	7.9
81.07071	30.8
83.04992	2.7
83.08613	4.6
85.06550	10.3
87.04481	2.0
91.05473	6.0
93.07067	14.6
95.04974	6.2
95.08622	34.9
97.06549	7.3
97.10181	100.0
99.04477	1.9
99.08086	3.1
101.06025	8.8
103.05464	1.9
105.07043	12.6
107.05001	1.7
107.08598	17.4
109.06520	4.2
109.10167	14.8
111.08101	9.8
117.07001	1.9
119.08606	9.7
121.06512	1.6
121.10143	10.0
123.08078	2.8
123.11737	6.9
125.09655	24.7
129.06978	1.3
131.04967	2.0
131.08582	4.5
133.10150	8.7
135.08038	2.5
135.11736	10.9
137.06006	2.4
137.09612	4.9
139.11177	2.1
143.08685	1.9
143.10699	41.8
145.06610	1.4
145.10141	2.5
147.11661	3.3
148.44901	1.2
149.09647	2.0
149.13316	6.9
151.11214	7.1
151.14809	4.1
153.12770	1.4
155.10641	1.6
157.10136	2.1
159.11705	4.7
161.13264	4.1
163.14815	1.6
165.12759	2.7
171.10188	4.4
171.11674	2.6
173.13295	1.9
175.14842	2.1
187.14784	1.5
189.11276	8.2
189.12773	1.9
191.08495	2.3
195.13728	1.1
198.82007	1.4
200.11960	1.2
218.07297	1.5
219.08093	2.5
221.19151	1.2
235.07620	1.6
246.06795	1.2
247.07587	2.6
248.08339	1.2
249.08917	1.2
261.63467	1.2
263.07101	1.6
264.07800	2.5
265.08438	1.2
275.07031	2.0
275.23758	1.1
279.10062	2.5
303.23248	6.7
307.09637	5.1
311.12793	1.5
321.10944	1.2
321.24197	10.7
339.08664	2.0
339.12158	10.9
339.19037	1.9
339.25327	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	339.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.1
55.01878	1.2
67.05510	1.9
69.18690	3.2
69.19119	6.2
70.06594	1.1
75.24382	0.9
79.05499	5.4
81.07056	7.3
82.06610	1.0
91.05466	2.9
93.07040	1.1
94.06564	3.9
96.08147	2.4
102.15714	1.0
106.06578	2.1
108.08121	2.6
109.05254	1.1
109.06542	1.1
110.06075	8.5
120.04472	1.4
122.06043	20.8
123.06805	3.2
124.07594	17.8
134.06035	17.9
136.07587	83.3
138.05562	1.4
140.07104	4.8
150.05524	8.7
152.07079	95.1
153.07349	1.0
158.08081	1.1
164.07080	100.0
165.07465	1.2
166.08676	1.9
168.06598	2.9
170.08165	13.0
170.55170	0.9
172.11211	1.6
177.05498	5.3
182.08142	24.1
187.03949	2.0
200.10751	1.8
203.03467	1.9
205.04985	2.6
214.12221	2.2
215.03403	1.2
219.02794	1.3
223.97359	0.9
232.13387	2.0
233.04474	3.3
242.11906	1.6
251.05461	2.6
260.12888	5.0
285.12387	2.6
295.04514	2.6
303.13406	53.1
321.14459	12.6
339.07080	2.3
339.11703	1.0
339.15680	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	338.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37757	1.0
53.63406	1.2
57.02018	0.9
57.03439	6.7
59.34727	1.0
69.07094	1.2
70.03870	4.6
81.07066	1.0
85.02882	1.8
97.02930	1.2
99.08105	100.0
128.54071	0.9
141.09100	4.4
159.10182	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	339.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51350	1.2
53.03944	1.4
55.01875	2.4
57.03434	1.3
58.56757	1.3
59.96252	1.3
67.05500	4.4
69.03438	2.4
70.06573	2.2
70.30051	1.2
70.30414	4.8
71.04977	1.3
72.08150	2.4
74.63471	1.1
79.05494	7.6
79.50504	1.1
79.50960	1.3
81.03401	2.2
81.07061	11.2
83.06104	1.9
84.08161	2.1
85.02915	2.6
91.05470	4.6
93.05799	1.4
93.07050	2.9
94.06554	4.2
95.04962	1.8
95.08582	2.3
96.08134	2.0
97.06549	1.6
100.07624	1.9
105.07019	2.7
106.06580	1.6
107.04930	2.2
107.08618	1.3
108.08144	1.9
108.45052	1.2
109.06526	2.9
110.06060	9.9
112.07623	1.7
120.08076	1.7
121.06536	1.6
122.06034	30.2
123.04448	1.2
123.06808	2.6
124.07617	21.7
134.06024	13.8
135.04486	2.5
136.07588	93.8
137.05977	3.7
138.05510	4.6
138.09059	1.3
139.03922	2.3
140.07088	7.2
147.04408	2.2
150.05547	9.3
152.07076	100.0
153.05513	1.4
153.07314	1.4
154.08659	3.1
158.05959	1.8
159.06461	2.3
162.05470	1.2
163.03906	3.0
164.07083	97.1
165.07381	1.9
165.09160	1.3
166.03256	1.5
166.05023	1.6
166.08746	2.0
168.06664	2.5
170.08182	13.3
172.18173	1.3
175.03893	2.0
177.05461	19.4
177.06844	1.8
180.06567	1.8
182.08145	25.8
187.03925	2.5
188.07062	1.4
191.03516	1.6
201.05356	1.3
203.03395	6.5
205.04924	7.5
211.57683	1.4
214.12224	2.1
215.03363	2.9
219.02919	5.5
231.02838	2.1
233.04411	8.6
251.05460	4.0
257.12793	1.9
260.12744	2.9
261.04001	3.3
261.08673	1.8
277.03549	1.9
285.12332	3.3
295.04462	4.9
303.13403	44.8
307.09570	1.8
321.06155	3.1
321.10995	1.7
321.14481	14.8
339.07123	9.5
339.11911	4.4
339.15594	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	338.145
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	1.4
55.01865	2.6
56.96563	3.3
57.03440	5.5
61.02937	2.4
66.70170	1.4
67.05505	8.1
69.03436	8.0
69.07072	5.8
69.66932	1.7
70.06597	5.3
71.01340	3.3
71.04998	17.1
72.08166	2.8
73.02916	1.9
79.02408	1.7
79.05498	3.3
81.03439	4.5
81.07075	3.6
83.01342	1.6
83.04948	2.0
84.08128	2.9
84.31442	1.6
85.02911	16.0
85.06584	1.7
87.04482	2.4
87.60487	1.8
91.05494	2.4
95.04991	9.1
96.08140	2.6
97.02894	5.6
98.97585	1.8
99.04472	36.5
101.02365	2.7
109.02874	2.7
110.06058	2.3
113.02361	2.3
113.06030	11.8
114.05582	2.1
120.08130	1.7
123.04452	17.0
124.07608	1.6
127.03912	6.3
129.10184	1.6
131.03479	2.4
131.07030	1.8
135.04430	2.2
136.07582	3.4
139.03912	4.8
139.52950	1.6
141.05476	43.4
143.96078	1.7
144.02101	1.9
145.04933	2.5
147.04451	3.1
152.07043	2.6
157.04999	2.0
158.06067	6.6
159.06552	100.0
162.03169	2.7
163.03935	1.9
164.07129	4.4
167.06975	2.3
176.03479	3.3
176.07112	11.0
176.09192	2.3
182.08264	2.2
194.04417	2.1
215.18571	1.6
228.97440	2.5
241.48691	1.7
242.03415	1.9
271.04504	12.4
289.05594	3.5
320.13293	3.3
338.16177	2.6
339.10721	2.2
339.15399	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	338.1082
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	3.9
55.05507	3.2
56.96584	7.8
57.03442	12.4
59.04990	3.9
61.02923	2.9
66.79922	1.6
67.05502	2.8
69.03437	17.6
69.07066	9.5
69.29874	11.3
70.06612	1.6
71.01354	10.7
71.04978	4.5
72.08157	2.9
73.02901	4.6
74.02393	1.3
79.05502	2.1
81.03407	4.7
81.07050	1.9
83.01336	2.3
83.04987	1.5
84.04519	2.3
84.96021	4.0
85.02914	43.2
86.03252	1.9
86.72648	1.3
87.04459	3.5
95.04961	2.5
97.02894	22.8
98.06081	1.6
98.97594	23.1
99.04442	4.4
99.72392	1.4
101.02382	3.3
103.03960	7.0
109.02889	2.2
110.97581	4.5
111.04440	3.4
112.16764	1.4
113.02406	10.9
113.06055	2.2
115.03913	1.6
116.98619	4.8
119.01815	2.0
123.04421	1.8
125.02371	1.8
127.00729	1.6
127.03925	5.5
128.98624	4.4
129.01868	4.2
130.04971	2.3
131.03404	5.0
136.07593	2.3
139.03882	2.9
140.07025	1.8
140.95010	1.3
141.01801	1.6
141.05511	1.5
143.00200	1.6
145.04958	6.0
151.03943	1.4
153.04805	6.5
155.03323	1.9
158.06055	2.3
158.11713	1.6
158.99701	8.7
159.02966	6.4
159.06590	2.6
160.06262	1.9
161.04671	3.2
162.05460	14.3
166.05118	1.5
168.98138	1.6
170.99687	1.8
176.03560	2.1
176.07079	5.5
176.12759	1.4
177.00761	4.5
177.03983	1.4
177.06572	1.6
191.62650	1.4
205.07237	2.7
212.06226	3.0
213.03998	2.2
217.05493	4.0
217.55846	1.7
218.06224	6.2
219.01758	6.0
227.06746	3.2
232.06032	2.7
234.07143	2.0
237.02890	3.8
239.06830	1.9
243.02785	1.9
243.04971	9.4
248.07211	4.3
257.07529	2.0
270.06091	3.4
271.04492	100.0
288.07159	5.0
303.07260	2.0
305.09058	4.7
306.08124	4.0
319.06735	1.4
321.08719	1.8
323.10028	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	337.9708
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96571	33.6
57.03439	3.1
61.02911	6.1
67.55440	1.3
69.03429	7.5
69.44983	5.6
69.45403	4.5
71.01322	1.7
71.83216	1.5
71.95255	3.8
73.02940	2.9
81.03394	2.7
84.32809	1.2
84.96034	2.8
85.02917	9.1
91.97881	1.4
95.01313	1.5
97.02905	16.5
98.97592	100.0
99.97925	10.7
101.00890	3.8
103.00620	1.5
109.02838	1.5
110.97569	5.2
115.02456	1.9
115.03909	1.5
116.98626	52.8
117.98988	3.4
119.01926	8.8
121.01682	3.1
127.03912	2.6
128.98607	4.1
131.01907	2.1
134.99678	14.8
137.02921	1.4
140.00150	1.7
141.01859	1.3
143.00229	2.5
144.98080	2.8
145.03450	2.5
145.72675	1.4
146.99657	1.3
155.01860	1.7
156.96455	1.7
158.05150	1.2
158.99669	2.2
160.00014	1.8
161.01199	2.1
162.99127	2.2
170.99022	3.3
174.97650	5.9
175.04486	1.5
177.00870	3.0
178.01035	2.7
185.02760	1.4
186.99092	2.2
187.99507	1.9
189.00076	2.0
192.98732	3.5
194.91211	7.1
197.00665	2.3
198.97728	4.4
201.03539	1.9
205.00201	10.1
206.00551	7.4
209.00856	1.5
212.92126	9.2
213.00204	1.9
215.01451	1.6
216.98714	46.8
218.00615	3.3
223.01254	1.7
224.01595	1.9
230.93294	6.6
234.99741	53.7
236.01614	3.1
236.92307	5.2
237.00172	2.6
240.56795	2.9
241.06673	3.8
247.04306	1.6
247.95726	1.5
254.93317	30.6
255.01146	4.8
256.96713	4.4
257.97495	2.8
258.96561	2.9
268.96368	1.7
270.91068	1.8
272.91208	2.0
272.94403	53.2
278.93390	2.3
288.92117	2.6
290.91751	8.7
290.95428	16.7
294.90915	1.5
295.03265	1.5
295.96121	2.5
296.03677	3.2
296.94324	15.2
296.96783	1.4
305.25412	2.2
308.92734	1.6
311.96106	4.4
314.91980	2.6
314.95459	43.7
315.95532	2.2
323.91006	2.9
324.40805	1.9
332.39951	2.2
332.91055	5.5
332.96606	2.4
333.41495	3.2
338.04706	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.274
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.9
55.01881	2.1
55.05520	39.2
55.14221	1.4
57.03198	1.9
57.03449	24.3
57.07071	8.8
60.20273	1.4
65.03935	4.1
67.05515	90.0
68.05827	2.2
69.07081	53.4
70.00874	1.9
70.01211	6.4
70.07430	1.6
71.05001	2.5
71.08626	2.0
79.05506	21.4
81.07068	87.9
82.07404	1.7
83.04987	3.0
83.08633	26.3
83.51617	1.3
85.06545	3.6
86.73426	1.4
91.05493	14.7
93.07056	25.1
95.04966	1.6
95.08620	63.0
97.06555	7.7
97.10189	14.1
98.21389	1.9
99.08115	2.3
105.03410	1.5
105.07059	10.9
107.08614	13.8
109.10169	23.9
111.08122	2.9
111.11707	2.9
119.08598	10.7
121.10159	9.4
123.11723	9.8
133.10196	9.7
135.11667	6.7
137.09668	2.4
137.13293	4.5
147.11693	7.4
149.02350	2.3
149.13252	5.4
151.14781	2.6
161.13254	3.7
163.14851	3.9
175.14847	3.2
176.50276	1.7
197.99702	1.8
245.22958	2.6
263.23697	4.8
272.00430	4.0
272.50653	1.9
294.01724	1.7
317.35541	1.4
337.27417	100.0
338.27795	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	337.2738
Annotation	Methyl 15-hydroxy-7-labden-17-oate
Peak:m/z	Relative Intensity
53.03946	2.2
55.01871	1.1
55.05516	39.6
57.03442	25.1
57.07079	5.3
65.03943	3.2
65.41666	0.4
67.05508	80.5
68.05849	0.6
69.03448	0.4
69.07072	48.2
71.05003	2.4
71.08631	2.5
73.06569	0.8
79.05495	22.0
81.07062	80.9
82.07417	0.6
83.04992	2.4
83.08623	24.4
85.06541	2.6
85.10196	1.1
91.05489	13.8
93.07050	20.1
95.04990	1.8
95.08614	58.1
97.06525	5.8
97.10174	12.4
99.08103	2.5
101.06025	0.4
105.04539	0.4
105.07038	10.8
107.08606	11.6
109.06537	0.4
109.10163	21.1
111.08060	2.6
111.11727	2.5
113.09645	0.9
119.08577	8.3
121.10146	9.0
123.08064	1.0
123.11716	10.4
125.09641	1.6
125.13251	0.5
131.08559	0.6
133.10144	8.3
135.11696	6.0
137.09660	1.0
137.13292	4.3
139.11113	0.5
147.11702	5.3
149.13225	2.6
151.11211	0.9
151.14818	2.1
153.12769	0.9
161.13229	3.7
163.14812	2.4
165.12825	0.7
165.16431	0.8
167.14442	0.6
175.14838	2.6
177.16429	1.1
179.14319	0.5
179.17947	0.7
180.09697	0.4
185.13506	0.5
189.16391	1.3
193.15910	0.6
221.19069	0.6
245.22729	1.6
263.23755	4.2
279.01184	0.4
337.27380	100.0
338.27600	2.0
351.21008	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2741
Annotation	Methyl 15-hydroxy-7-labden-17-oate
Peak:m/z	Relative Intensity
53.03936	3.9
55.01863	2.6
55.05519	40.7
57.03446	26.2
57.07081	8.6
65.03938	3.0
67.05515	87.8
69.07077	49.0
71.04999	1.8
71.08637	2.4
79.05503	23.7
81.07067	86.5
83.04986	3.0
83.08631	27.0
85.06527	3.3
91.05491	16.4
93.07053	26.7
95.08619	64.5
96.08964	1.0
97.06537	5.7
97.10191	14.6
99.08093	2.8
105.07052	12.7
107.08612	12.3
109.06541	1.9
109.10168	26.2
111.08056	3.4
111.11717	2.4
119.08589	8.8
121.10149	10.5
123.08093	1.8
123.11715	9.4
123.85896	0.9
125.09622	2.4
133.10150	9.2
134.48207	1.0
135.11707	6.5
137.09645	1.3
137.13251	4.8
139.11237	1.2
147.11687	4.8
149.13240	3.2
151.14900	1.5
161.13260	4.6
163.14856	3.7
166.93294	1.1
175.14828	3.6
189.16466	1.8
194.74361	1.1
208.61949	1.0
228.99265	1.2
239.49570	1.4
245.22652	3.1
263.23804	6.5
337.27408	100.0
338.27640	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	337.2374
Annotation	15H-11,12-EETA
Peak:m/z	Relative Intensity
53.03934	5.9
55.01866	6.1
55.05516	75.5
57.03425	6.9
57.07069	6.3
59.44536	2.4
60.48789	2.1
60.68442	2.5
63.30468	2.1
65.90868	1.9
67.05510	24.8
69.03439	10.9
69.07065	40.0
70.72253	4.3
70.72582	4.4
71.04980	6.2
79.05502	14.5
80.29890	2.4
81.07063	62.1
83.04995	17.9
83.08624	8.3
85.02898	3.2
85.06544	21.1
86.09668	2.1
88.33944	2.1
91.05485	17.2
93.07055	49.1
95.04978	20.1
95.08613	49.0
97.06544	11.8
97.10175	100.0
99.04418	2.7
99.08096	3.7
101.06019	8.5
103.05449	2.9
105.07042	37.4
107.04971	2.7
107.08599	45.8
109.06525	9.4
109.10153	32.4
111.04409	2.7
111.08093	18.1
111.11739	2.8
113.06086	2.7
113.09628	2.8
117.07010	8.5
119.04931	2.4
119.08596	19.0
121.06509	7.0
121.10152	27.6
123.08068	12.9
123.11714	13.3
125.05997	4.2
125.09657	25.6
128.06223	2.2
129.07005	5.4
131.04919	2.5
131.08611	12.3
133.10121	20.6
135.08026	6.5
135.11703	19.9
137.05960	3.7
137.09621	15.2
139.07553	6.7
139.11195	10.2
141.09087	6.1
143.08531	7.0
143.10677	22.8
145.06471	4.0
145.10106	19.7
147.04408	3.9
147.08072	4.5
147.11702	13.7
149.09647	8.4
149.13261	21.1
150.64616	2.7
151.07530	6.2
151.11157	18.4
153.12729	7.1
157.10133	10.1
158.10823	2.1
159.08076	4.3
159.11691	18.5
161.09616	33.2
161.13286	5.0
162.10210	2.6
163.11197	13.4
163.14787	2.7
165.09105	5.1
165.12798	17.2
167.10759	2.9
171.11682	8.3
173.09694	3.0
173.13258	9.5
175.11183	9.5
175.14825	6.3
177.12704	5.3
179.10709	3.2
179.14334	8.7
181.12268	3.3
185.13217	4.6
187.14851	5.7
189.11255	2.4
189.12822	3.0
191.14392	5.3
193.12250	5.1
193.15894	2.4
195.13843	5.0
199.14896	8.0
201.16377	6.7
203.14371	6.8
205.06543	2.7
206.07315	3.1
209.15179	2.3
213.16428	3.1
215.10725	2.7
215.14359	2.2
217.15915	3.1
219.13934	2.2
221.15369	6.6
227.17897	3.2
229.15878	6.7
231.08258	2.7
234.06744	3.5
234.98608	2.2
245.19122	2.9
249.09125	3.0
273.22186	6.4
275.20154	2.6
277.08685	5.6
279.06696	2.9
283.20557	3.0
291.23169	6.9
301.12003	2.6
301.21640	20.5
305.08075	13.8
319.22699	79.5
319.26495	3.7
337.10504	17.7
337.19745	2.6
337.23749	53.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0923
Annotation	Flustraminol A
Peak:m/z	Relative Intensity
51.02383	0.7
53.03955	3.0
55.01875	0.6
55.05512	0.8
57.03445	8.9
64.58360	0.5
65.18356	0.4
67.05502	1.2
69.03445	1.4
69.07091	0.5
69.15746	2.6
69.16171	2.3
70.06596	0.5
71.01366	5.0
71.05007	0.5
72.08169	2.0
73.02930	16.7
75.04492	1.2
75.72875	0.4
76.49110	0.5
77.03940	0.7
78.46336	0.4
79.05507	5.1
81.03442	0.6
81.07070	1.1
83.05020	0.5
85.02921	30.6
85.06567	0.8
86.09679	0.8
87.00842	0.7
91.05514	0.9
93.07052	1.5
95.01350	2.8
95.04985	3.7
95.08623	0.8
97.06630	0.5
99.00854	1.4
101.02401	8.1
103.03958	9.2
105.03409	100.0
105.07034	1.2
106.03767	0.6
107.05019	0.7
109.10183	0.9
111.08115	0.7
113.02419	2.8
119.04964	0.6
119.08624	0.8
120.08112	0.7
121.08434	0.6
121.10181	1.0
123.00751	0.5
123.04449	15.9
123.08116	0.6
124.84200	0.5
125.09670	0.8
129.07016	0.5
131.03444	3.4
131.08626	0.5
133.10188	0.6
135.11742	0.6
137.06013	0.9
141.01851	1.9
143.11800	0.6
145.10176	0.8
147.04457	0.9
149.06006	0.7
155.22551	0.5
159.02911	5.0
159.08199	0.7
162.06659	0.5
163.48938	0.5
166.05064	0.6
167.08731	0.7
177.09137	0.6
179.07063	6.2
206.07426	0.5
213.05511	0.5
259.10617	0.5
292.04391	0.4
301.11758	0.9
305.08063	0.8
319.12778	1.6
337.09180	27.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0895
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	4.2
56.96570	22.4
57.03427	11.0
61.02923	5.5
69.03084	2.5
69.03437	28.9
70.06601	4.3
70.98123	2.6
71.00721	1.8
71.01366	16.3
71.05006	3.2
73.02924	12.9
81.03416	6.5
82.99864	4.1
84.96027	3.3
85.02910	44.0
86.03211	2.3
87.04467	2.8
97.02894	33.8
98.03271	2.4
98.97591	54.2
100.99133	7.3
101.00892	46.2
102.00960	3.5
103.00617	9.3
103.03975	2.8
109.02907	4.6
110.97605	11.1
110.98239	2.2
112.99139	14.3
113.00897	9.3
113.02384	2.8
114.02373	1.8
115.00667	2.3
115.02444	6.2
115.03960	4.1
116.98627	10.7
117.02196	2.8
119.00224	3.2
119.01939	37.8
120.01999	1.8
121.01687	7.8
124.99122	4.7
127.02442	12.2
127.03953	10.6
127.77643	2.0
128.98605	6.0
129.01889	4.8
130.31079	2.4
131.00183	7.5
131.01904	16.5
132.01996	3.3
133.01707	4.1
133.03439	10.1
135.03067	2.0
139.02425	7.5
143.00151	6.7
143.01865	13.3
145.01694	6.3
145.03468	26.9
145.04991	3.9
146.99626	2.2
147.01367	3.2
148.00401	2.5
149.01239	3.7
152.98602	2.4
153.03978	2.5
155.01909	17.8
155.02995	2.6
156.02014	2.8
157.01607	2.5
157.03487	37.3
158.03354	2.6
158.99634	11.5
159.01512	2.0
159.03192	5.8
160.01419	2.4
161.01122	4.6
161.02995	8.4
163.02747	6.0
163.04575	2.1
167.01976	3.7
169.03493	8.0
170.99702	5.1
171.01413	3.8
171.05035	5.3
173.01230	6.6
173.02991	14.1
174.99226	3.2
175.02786	5.3
175.04529	11.2
177.00746	4.8
177.04305	3.7
179.02173	7.1
181.03499	4.3
182.83650	2.2
183.01402	2.6
183.05052	6.4
184.05847	13.5
184.55830	2.7
185.03011	7.5
186.03197	2.4
187.02866	3.8
187.04518	5.7
189.00798	3.2
189.02419	3.7
191.02197	5.2
191.03958	2.8
193.00352	2.9
193.03824	7.6
193.05640	11.2
197.03076	8.2
198.02994	2.7
199.00932	2.4
201.02431	2.5
203.04056	5.9
203.18515	2.2
205.03729	3.1
205.05580	3.8
207.01720	3.3
211.04791	4.3
211.06712	5.4
216.03906	2.4
217.00177	2.7
217.01967	11.8
217.03798	4.0
219.01811	7.1
221.03384	4.6
221.05171	6.4
223.06615	16.9
225.06435	4.5
227.61597	2.5
229.01926	4.2
230.02544	2.1
235.03111	3.0
235.06654	16.4
237.02856	8.8
239.04350	12.3
245.05182	8.5
246.05238	2.4
247.04527	2.9
247.06830	14.5
249.08224	3.5
259.06790	3.5
265.07806	6.8
271.06702	7.1
277.02234	2.8
295.07001	3.4
300.94116	2.3
319.08981	2.6
320.53885	2.5
336.25949	2.4
337.09723	100.0
337.17020	3.6
338.10129	2.4
355.09064	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	337.09
Annotation	Flustraminol A
Peak:m/z	Relative Intensity
51.13663	1.9
56.96559	4.5
65.34549	2.0
69.16551	14.4
69.16977	7.6
72.73574	1.8
82.99820	4.9
98.97600	10.7
100.99118	2.4
101.00893	16.6
108.33236	1.7
112.99136	4.2
113.00848	3.5
119.01891	10.7
127.02397	4.3
129.03827	2.0
131.01826	4.1
133.03455	4.0
139.02376	4.2
145.03510	9.8
155.01886	3.6
157.03500	15.7
158.99638	3.4
161.02870	2.2
169.03423	4.1
173.02975	2.3
175.04485	6.2
179.01779	3.0
187.04526	2.2
193.05469	8.0
206.48315	2.1
211.06491	3.9
219.01730	2.7
221.04932	3.8
223.06543	4.6
235.06616	14.2
242.29758	1.9
245.05040	3.2
247.04501	1.8
247.06761	14.0
249.08305	5.1
253.03601	1.9
259.06543	3.0
271.06479	5.3
279.09326	2.0
326.13715	1.9
337.09161	100.0
338.09515	2.2
349.73483	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.258
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
52.98111	0.9
53.03943	2.7
55.01860	1.0
55.05509	12.9
57.03439	18.6
57.07071	2.4
60.08249	1.1
65.03931	3.0
67.05505	61.2
69.07070	13.4
70.75937	2.8
71.04991	1.0
71.08617	1.0
72.24614	1.0
79.05494	30.8
81.07057	63.8
83.08618	6.3
85.06534	1.5
87.01298	0.9
91.05478	17.1
93.07047	38.5
95.04956	1.5
95.08607	56.4
97.06549	2.4
97.10186	2.2
99.08009	1.1
100.99495	0.9
105.04525	1.4
105.07029	11.9
107.08601	23.8
109.06499	1.6
109.10154	23.9
111.08055	1.8
117.07014	4.2
119.08584	10.3
121.10144	20.6
123.11698	10.0
131.08562	9.3
133.10124	9.0
135.11699	13.9
137.09615	1.1
137.13263	2.4
139.11143	1.0
145.10141	8.1
147.11732	6.6
149.13272	9.4
159.11676	5.7
161.13240	7.0
163.11171	1.0
163.14789	4.1
171.55573	1.0
173.13239	6.0
175.14836	2.2
177.12750	1.8
177.16447	1.1
187.14810	2.4
193.74396	0.9
201.16428	1.6
243.21065	6.2
261.22144	13.1
279.23114	1.6
317.24683	2.8
335.25803	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.081
Annotation	[1S-(1alpha,2beta,5alpha)]-4-Bromo-5-(1,2-dimethylbicyclo[3.1.0]hex-2-yl)-2-methylphenol acetate
Peak:m/z	Relative Intensity
56.16008	0.9
56.96306	1.9
56.96572	29.1
56.96850	2.1
59.04991	1.5
69.03427	3.6
69.42408	4.8
69.42824	2.7
70.98119	4.3
71.01358	1.9
71.40582	0.9
71.95271	1.2
73.02883	1.7
84.96049	9.3
85.02889	4.0
87.04462	1.7
88.99152	2.0
91.92253	0.9
94.97691	0.9
97.02887	6.1
98.20736	1.3
98.97592	94.5
109.02934	1.2
110.97583	38.3
112.99147	23.4
115.00713	4.9
116.98635	14.8
124.95473	1.8
124.99133	3.8
126.97095	2.4
127.00659	1.4
128.98622	19.7
131.00171	10.5
133.01741	8.7
134.99629	1.2
140.98599	6.4
142.96494	1.5
143.00177	7.2
144.98093	5.4
146.99648	8.4
149.01247	2.4
151.02760	2.1
152.94997	1.9
152.98607	9.0
155.00230	1.1
156.98056	1.3
157.01715	3.1
158.99677	21.5
161.01248	4.7
161.04663	1.5
165.00720	1.3
168.03690	2.3
170.96005	2.7
170.99672	11.4
173.01227	3.9
174.99144	1.9
175.02827	9.4
177.00740	7.2
178.05005	1.9
182.99663	1.2
184.97577	2.0
187.02780	2.3
187.23018	1.2
188.97079	2.6
189.00781	7.1
189.04373	1.5
191.02243	2.7
193.03838	4.8
201.00702	13.9
201.04565	1.4
202.98744	2.3
203.02255	1.6
205.00154	1.4
205.03792	1.1
207.01753	2.4
211.02838	1.5
212.97066	2.5
217.00241	1.6
217.03923	6.0
219.01790	57.1
220.99681	1.3
229.03941	2.1
230.98183	4.9
233.03259	1.5
235.04915	2.3
237.02840	36.7
244.99678	4.5
248.99341	1.6
255.03862	1.8
263.00775	7.3
277.02670	2.9
277.05957	49.9
295.07040	100.0
317.32126	1.0
337.08075	33.7
355.08929	1.1
357.07605	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2581
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
53.03934	3.2
54.40199	1.1
55.05511	13.1
57.03442	19.1
57.07065	1.5
58.12988	1.1
62.87143	1.1
65.03935	2.1
67.05510	59.9
69.07076	13.9
71.04989	1.7
71.29984	0.9
73.91652	1.0
78.73611	1.0
79.05497	31.7
81.07061	64.8
83.05013	1.5
83.08633	7.5
85.06557	1.5
91.05489	14.9
93.06487	2.0
93.07048	36.0
95.04987	2.2
95.08611	53.1
97.06522	2.4
97.10180	2.4
98.20705	2.2
99.97910	1.2
105.07035	13.4
106.95075	1.2
107.08598	23.0
109.06557	1.2
109.09476	2.0
109.10165	23.7
111.08092	1.8
115.74495	1.0
117.07009	5.2
119.08587	10.8
121.10146	20.2
123.11710	8.7
129.05539	2.7
131.08574	8.9
133.10114	8.7
135.10713	1.4
135.11714	16.8
136.28906	1.1
137.09579	1.4
137.13280	2.8
145.10144	7.0
147.11700	5.7
149.13254	9.5
151.11191	1.2
159.11684	5.1
161.13255	6.8
163.14848	4.2
163.35352	1.0
165.12820	1.3
166.13039	1.6
173.13231	5.3
175.14842	2.5
177.16438	2.8
187.14832	3.3
191.14316	1.6
243.21088	11.0
261.22186	12.5
317.24634	4.0
335.25815	100.0
336.26126	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	335.2582
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
53.03947	5.4
55.01874	1.4
55.05276	1.4
55.05517	23.4
57.03440	29.3
57.07069	2.4
60.81707	0.9
65.03931	3.7
67.05509	96.0
69.07073	21.6
70.74213	1.5
70.74554	2.1
71.04992	1.9
71.08627	1.3
77.03919	1.8
79.05499	48.3
81.07062	91.5
83.04985	1.8
83.08623	8.7
85.06513	1.1
91.05490	23.5
93.07047	50.8
95.04967	4.9
95.08614	69.5
97.06525	3.8
97.10158	4.0
105.07030	17.1
107.07882	1.6
107.08598	26.3
108.24483	0.9
109.06544	2.8
109.10168	30.1
117.07026	4.9
119.08587	11.5
121.06532	1.5
121.10148	21.9
123.08061	2.4
123.11700	7.7
124.33565	0.9
131.08585	6.7
133.10149	9.7
135.08150	1.0
135.11693	15.8
137.09576	1.3
137.13263	2.0
139.11200	1.0
145.10114	8.3
147.11678	5.4
149.13263	7.9
153.12692	1.4
158.99207	1.0
159.11707	5.6
160.13664	1.0
161.13283	4.4
163.11058	1.0
163.14842	3.0
165.12743	7.3
173.13306	4.8
175.14888	2.5
177.12758	1.3
187.14848	1.9
219.17528	1.1
233.15488	0.9
243.21074	4.1
261.22168	8.2
289.21591	3.9
317.24588	2.3
335.25833	100.0
336.26154	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.258
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
52.86131	1.2
53.03934	4.9
55.05521	24.0
57.03193	2.0
57.03445	24.5
57.07069	3.5
65.03936	5.8
67.05511	100.0
69.07077	23.7
70.76784	3.6
71.04996	3.5
73.77850	1.4
75.36557	1.7
77.03910	1.6
79.05499	50.3
81.07063	92.7
83.04991	2.5
83.08625	8.0
85.06571	2.5
91.04981	2.4
91.05489	25.4
93.07054	57.3
95.04955	4.0
95.08615	72.6
97.06535	4.2
97.10162	4.1
98.21136	2.7
99.08113	1.7
105.04507	2.0
105.07043	14.7
107.08607	25.2
109.10162	35.4
117.07041	4.7
119.08583	13.8
121.10155	23.2
123.11732	10.9
131.08585	9.1
131.13029	1.6
131.58926	1.6
133.10103	10.5
135.11729	16.8
137.09566	2.6
137.13266	2.8
145.10114	7.1
147.11703	6.0
149.13289	8.7
151.11176	1.4
159.11678	5.8
161.13264	4.4
163.14784	2.5
173.13290	3.9
175.14867	2.2
187.14862	3.2
243.21033	2.2
261.22144	9.6
317.24854	2.4
335.25815	94.8
336.26193	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2582
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
53.03933	4.9
55.05280	1.9
55.05518	27.5
57.03445	29.0
57.07035	1.8
65.03938	3.6
67.05511	100.0
69.06741	1.8
69.07077	25.0
69.96829	8.5
71.04996	1.9
77.03936	2.1
79.05498	51.5
81.03414	1.8
81.07063	79.8
83.08619	11.2
85.06531	1.6
91.05486	22.0
93.07047	54.0
95.04945	3.9
95.08616	64.8
97.06522	3.5
97.10184	3.4
98.20827	2.2
98.98465	2.2
105.07037	15.6
107.08604	23.9
109.06495	2.4
109.10172	25.4
111.08091	1.9
117.07021	3.3
119.08614	10.4
121.10156	19.7
123.11725	6.7
125.09695	1.5
127.42869	1.6
131.08580	7.7
133.10141	9.3
135.11697	11.8
145.10124	5.4
146.05109	1.5
147.11688	6.0
149.13248	4.3
159.11630	1.8
161.13268	2.8
173.13185	3.7
201.78107	1.8
227.46080	1.9
261.22202	3.1
271.17038	1.6
335.22250	4.0
335.25818	87.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2581
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
52.60132	0.9
53.03949	5.1
53.20259	0.9
55.05513	21.5
57.03442	25.1
57.07067	3.2
58.07860	0.9
65.03930	3.5
67.05508	100.0
69.03443	1.6
69.07072	19.8
70.90957	2.1
70.91293	1.5
71.04993	1.4
79.05497	52.2
81.07059	87.2
83.04994	2.0
83.08620	9.7
83.50439	0.9
85.06506	1.2
91.05489	27.6
93.07048	54.2
95.04983	3.3
95.08614	68.3
97.06542	4.6
97.10184	3.2
99.08100	1.7
100.29683	1.0
103.98126	1.2
105.04527	1.7
105.07032	18.2
107.08603	26.2
109.06506	1.2
109.10159	31.2
111.08125	1.1
117.07015	6.5
119.08589	12.8
121.10153	24.3
123.08049	1.7
123.11723	11.3
125.09668	1.1
131.08565	9.5
133.10136	10.7
135.11703	18.0
137.13251	3.3
139.11125	1.3
145.10106	6.5
147.11644	5.6
149.13260	8.2
151.11224	1.5
159.11687	3.7
159.14131	1.2
161.13264	5.3
163.14861	3.1
172.31894	1.0
173.13257	5.6
175.14845	2.5
175.16298	1.0
177.16426	1.8
180.96513	1.1
187.14844	2.2
191.14369	0.9
219.39386	1.0
243.21069	4.2
261.03897	1.2
261.22092	11.2
317.24811	2.9
320.13037	1.2
335.25821	97.2
336.26102	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2584
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
53.03947	3.6
55.01859	2.5
55.05271	1.7
55.05513	22.2
57.03440	24.4
57.07065	2.6
65.03944	5.8
67.05508	100.0
69.03447	1.1
69.07072	23.5
69.45956	7.7
71.04988	1.9
71.08609	1.4
79.05497	50.3
81.07062	90.9
83.04971	2.9
83.08621	11.5
85.06550	3.0
91.04916	1.2
91.05479	28.2
93.07049	51.8
95.04950	2.9
95.08610	74.0
96.74222	1.0
97.06541	3.1
97.10165	4.3
105.07037	15.9
107.08594	27.3
109.06523	3.1
109.10162	29.2
111.08065	1.7
117.07015	5.4
119.08600	13.0
121.10153	22.1
123.08057	2.2
123.11718	11.4
124.72228	1.0
125.09629	1.6
131.08589	9.2
133.10136	10.1
135.11707	15.2
137.09598	1.2
137.13287	3.1
145.10138	5.3
147.11716	6.5
149.13263	8.7
151.11122	1.3
151.14828	1.2
159.11719	4.6
161.13196	4.8
162.73911	0.9
163.14819	2.8
173.13301	5.1
175.14865	1.7
179.14255	1.7
187.14806	3.1
243.21049	3.1
261.22147	10.1
317.24893	2.2
335.25812	88.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2196
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	2.5
67.05497	3.0
69.07058	1.8
71.41940	1.7
79.05489	2.4
81.04774	1.0
81.07047	4.3
84.08134	1.3
85.34251	1.0
88.07648	1.1
91.05488	2.0
93.07061	2.8
95.05009	1.1
95.08600	2.8
102.95597	1.1
105.07037	2.4
107.08607	1.5
109.10109	1.2
119.08597	2.0
121.10223	1.5
145.10136	1.6
253.06224	1.1
317.21063	1.9
317.24704	1.7
335.21939	100.0
335.29306	6.5
336.22308	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2196
Annotation	Unknow
Peak:m/z	Relative Intensity
54.92471	0.8
57.36698	0.8
57.44865	0.8
67.05531	4.0
69.07072	1.0
70.41013	2.7
79.05506	2.0
81.07055	3.9
91.05495	1.5
93.07041	3.1
95.08609	3.3
102.02306	0.8
105.07034	1.9
107.08593	1.5
109.10170	1.7
119.08568	1.2
121.10167	1.6
133.10107	0.8
135.11664	1.6
176.15021	0.8
185.66342	0.9
189.43373	0.9
195.09964	1.9
317.20981	1.1
335.21954	100.0
335.25558	4.9
336.22284	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	335.2195
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86647	1.3
54.40535	1.3
55.05511	2.5
57.03454	1.6
58.88980	1.3
67.05508	8.9
69.07063	3.4
69.76608	8.0
79.05491	5.0
81.07057	11.9
84.13426	1.4
89.25038	1.3
91.05470	3.0
93.07050	5.7
95.04958	1.8
95.08617	8.4
96.26134	1.3
97.48312	1.3
105.07001	4.2
107.08601	4.5
109.06496	1.7
109.10155	5.1
117.07014	1.7
119.08578	2.7
121.10155	2.8
133.10117	2.7
135.11642	2.3
137.09668	1.6
145.10132	3.4
216.63106	1.5
251.67943	1.5
313.39944	1.4
335.21939	100.0
335.25644	5.9
336.22229	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	335.1239
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44420	1.0
55.01883	5.6
62.73687	0.9
67.53165	1.0
70.17661	2.1
70.18053	2.3
76.00272	1.0
94.75190	1.0
96.04478	2.5
108.04481	3.2
110.06059	1.9
117.05770	1.1
119.08677	1.1
120.04474	1.8
122.06021	4.6
124.03976	1.1
128.06238	1.5
129.07033	2.1
131.07341	1.3
132.08098	1.3
136.03944	1.3
136.07578	5.7
141.06964	1.1
143.08591	1.4
144.08076	2.9
146.09677	1.3
148.03955	1.0
150.05548	1.5
154.06516	1.6
155.07306	1.6
155.08545	1.2
156.08083	3.6
157.07669	1.2
158.06015	1.7
158.08449	1.8
158.09654	4.2
159.06644	1.0
160.07616	3.6
164.07080	2.2
166.04944	1.0
167.07275	1.1
170.09636	4.0
171.09148	1.6
172.07578	9.0
172.09937	2.5
172.11270	1.7
173.10776	5.4
174.07861	1.9
174.09180	4.7
175.08723	5.2
182.08350	1.6
183.06769	2.2
184.07655	13.4
184.09274	1.7
186.07877	1.8
186.09193	6.4
187.08713	1.8
187.12334	6.3
189.10217	7.2
197.10759	2.1
198.09175	15.2
199.08649	5.8
200.07094	14.7
200.09421	5.8
200.11009	1.4
201.10248	19.9
202.08687	1.6
211.08659	6.3
212.07018	2.8
213.06577	3.9
213.10086	1.8
214.07405	5.4
214.11157	1.0
215.08171	3.6
215.11792	17.6
216.08945	2.1
217.09714	9.8
225.10287	3.0
226.08626	7.0
227.08203	10.2
228.06566	3.7
228.08907	3.8
229.09724	37.3
229.12015	2.3
230.10486	1.5
239.08179	2.6
241.09695	3.1
242.08176	2.0
242.10515	3.6
243.07684	2.5
243.08537	1.8
243.11327	36.8
245.09232	35.1
253.09793	11.1
254.08136	1.7
257.09222	18.4
258.09973	3.2
259.10950	6.4
259.13223	1.0
261.12289	1.2
271.10797	100.0
273.12369	4.0
275.10352	1.1
281.09262	15.2
281.87143	1.1
287.10278	32.5
289.11832	15.3
299.10297	31.1
299.13052	0.8
305.11337	8.6
307.12857	1.7
317.11353	60.2
318.11664	1.1
335.12326	13.9
335.15964	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1239
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01731	5.8
55.02035	4.6
67.05394	0.5
70.17715	1.0
70.18112	1.1
73.02819	0.8
80.05320	0.4
91.05379	0.6
93.06923	0.6
94.06465	0.7
95.44197	0.4
96.04334	0.4
108.04359	0.8
119.08392	0.5
122.05877	1.1
124.07461	0.5
129.67146	0.4
140.06923	0.6
144.07938	0.8
150.05411	0.8
156.07939	0.8
164.06879	0.6
164.19772	0.4
168.06403	1.6
168.07701	0.5
170.09525	0.6
172.07396	1.2
172.10986	0.7
173.10612	0.5
174.09018	0.7
178.08583	2.2
182.08109	0.6
184.07445	1.7
186.07693	1.0
186.09129	1.0
187.08589	0.7
188.06891	0.5
190.10626	0.4
194.08009	0.7
198.09016	2.0
199.08606	2.5
200.06912	1.4
200.10536	1.8
201.06407	1.8
201.10237	5.5
202.08572	0.9
202.10410	0.5
205.09653	0.7
212.06903	1.2
212.12230	0.5
213.10114	2.1
214.07274	1.7
215.08107	2.8
215.11530	1.0
216.08765	1.9
217.09775	2.6
219.11244	0.5
225.10065	1.3
226.08687	2.7
227.08186	3.2
228.06586	0.6
228.10060	3.2
229.06007	0.8
229.09686	8.0
230.10303	0.8
231.11188	0.5
243.07555	1.0
243.11330	6.6
244.08337	2.0
245.09267	4.6
246.11107	0.6
247.10706	1.7
253.09561	0.6
254.08134	2.7
257.09232	17.5
258.10086	2.7
265.11737	1.5
271.10800	8.7
272.09140	1.0
284.07941	0.5
287.10101	1.5
289.11841	7.1
292.95267	0.5
299.10266	10.1
302.09064	0.8
307.12778	4.2
317.11328	100.0
318.11612	1.6
335.12418	15.8
335.16327	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.124
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.6
55.05510	2.3
63.74680	0.8
65.03948	3.8
67.05511	5.5
69.03447	1.3
69.07073	100.0
69.41885	5.1
69.42295	1.3
71.77370	0.8
79.05512	2.0
80.05029	1.1
81.07063	6.2
82.06612	0.7
83.05003	1.3
85.06544	1.7
91.05505	1.8
91.17503	0.7
92.05011	3.6
93.05799	0.8
93.07066	2.4
94.06574	4.6
95.04980	3.8
95.08630	3.3
96.08147	2.0
97.06538	16.8
97.10192	2.7
103.05484	1.2
104.04996	1.0
105.04518	0.8
105.07039	2.5
107.08609	2.4
107.88166	0.7
108.04472	1.4
108.08163	0.7
109.06524	1.8
109.10184	1.4
111.08121	0.7
117.07037	0.9
119.08607	2.3
119.69991	0.7
120.04491	0.9
121.10178	1.3
122.06040	7.4
123.08142	0.9
124.07603	5.8
125.06019	1.5
125.09717	1.0
125.95714	0.7
126.09197	1.6
128.06261	0.8
131.04900	0.8
131.07396	0.7
131.08600	1.0
132.04504	1.8
133.10150	1.5
135.08125	1.4
137.05969	3.4
138.05524	5.2
140.07065	7.9
142.08688	1.4
143.07327	0.8
143.08533	1.0
144.08131	2.0
145.08896	3.1
145.10176	2.7
146.09641	4.1
147.06836	1.1
147.11711	1.6
148.03987	3.8
149.09668	0.9
150.05516	75.8
152.03490	1.0
152.07072	0.8
156.08208	0.8
157.08923	2.5
157.10129	1.1
158.09624	1.0
159.11858	0.9
160.07614	1.4
160.11212	1.0
161.08389	3.8
161.09586	0.9
162.09172	2.6
162.33591	0.8
163.11244	1.3
164.03448	1.4
165.04289	0.9
166.05013	27.8
167.07213	0.7
168.06633	1.9
171.06815	0.8
172.07629	2.5
172.11154	4.2
173.08400	2.4
173.09711	1.5
173.13309	0.8
174.09128	1.0
174.12794	7.0
175.11250	0.7
176.03453	7.4
177.60997	0.8
178.05054	1.7
182.04434	1.1
185.08475	1.7
188.10764	1.5
190.08627	1.0
190.12262	4.4
192.02910	0.7
194.04454	3.7
198.09419	1.0
200.10791	5.9
202.12294	9.3
213.10211	0.9
215.11766	1.0
216.10281	3.5
218.08380	1.6
218.11792	26.3
218.13878	1.4
227.11943	0.9
228.10258	17.6
229.13350	1.6
234.11391	2.9
241.09735	0.9
243.11349	1.1
244.09879	2.7
245.12946	1.7
246.11288	24.3
246.13696	1.5
255.11505	1.4
256.09698	1.9
257.09421	1.4
257.12958	4.3
261.08929	0.7
261.12473	1.0
262.10925	0.8
271.10773	5.2
272.09299	2.8
273.12436	3.0
274.10812	3.7
287.10248	7.9
289.11841	10.1
290.10297	1.5
299.10257	7.5
299.20053	0.8
317.11392	24.7
317.14850	1.6
317.21332	2.6
318.10101	0.7
335.12399	18.3
335.22299	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	335.1191
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03912	0.9
55.05494	1.2
56.96561	2.9
57.03424	1.4
57.17703	0.9
58.99868	1.0
61.02912	1.5
69.03416	3.0
70.03809	4.0
70.99845	1.9
71.01347	2.6
71.04994	1.1
73.02924	1.7
81.03387	0.9
82.99831	7.6
84.02071	0.8
85.01404	0.9
85.02907	6.6
87.88613	0.8
91.05479	0.9
94.99852	2.1
97.01389	2.0
97.02892	5.8
98.20818	1.0
98.97601	14.2
101.00890	34.9
110.97552	2.1
112.99152	1.0
113.00874	16.9
113.02267	0.9
113.04511	1.7
115.02448	5.9
116.98598	2.5
119.01924	23.1
119.91641	0.8
127.02396	3.1
127.03917	2.0
128.98669	1.0
129.03944	1.6
131.01927	16.2
131.05554	11.3
133.03447	3.8
137.00807	4.7
137.05986	3.2
138.06290	0.9
143.01909	100.0
144.02045	1.7
145.03482	4.4
145.04605	0.7
145.04968	0.7
147.05139	1.4
149.06612	6.1
155.01910	27.7
155.04463	1.8
155.05666	5.9
156.02702	2.1
157.03448	3.8
158.99657	4.1
159.05051	4.3
161.02971	65.1
167.05540	3.0
169.07083	2.4
170.99651	1.0
171.03586	1.0
171.04961	1.9
173.02972	16.1
173.06609	27.6
175.04532	1.5
177.00729	2.1
177.06084	2.4
185.02995	2.8
185.06615	32.6
187.08192	4.6
191.07608	4.9
197.06583	2.1
199.08128	1.6
201.00616	1.1
201.06148	1.3
203.04031	10.8
203.07645	10.0
205.09177	1.0
215.07648	12.7
219.01804	3.1
221.03117	1.2
221.05101	15.8
227.07523	2.8
233.08701	2.3
239.04588	1.0
244.58008	4.4
245.05147	1.5
245.08107	1.2
257.08701	7.3
275.09769	35.3
291.07401	1.3
293.10822	79.0
294.11035	2.9
309.08734	1.5
310.08942	1.1
316.12329	1.0
325.60602	1.5
326.10724	1.0
335.11865	39.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1238
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73330	0.9
55.01875	5.4
55.05521	1.9
56.88472	0.9
57.03428	1.2
65.03933	1.2
67.05502	1.9
69.03421	1.9
69.07077	1.7
69.70256	5.5
70.06603	1.7
71.04996	1.1
72.08139	1.5
79.05512	1.7
80.05032	1.3
81.03394	0.9
81.07059	2.4
84.04522	1.0
84.08121	1.0
85.02916	2.1
85.06561	1.5
88.81844	1.1
91.05485	7.1
92.05016	1.4
93.07058	2.3
94.06598	1.2
95.01376	0.9
95.04974	2.0
95.08597	1.3
96.04507	1.0
105.07051	2.4
107.08613	2.9
108.04482	2.0
109.02869	0.9
110.06078	1.7
111.04433	1.2
119.08547	1.5
120.04480	1.7
122.06055	4.9
124.03981	1.5
124.07567	1.4
125.06039	1.3
127.03938	1.0
128.06194	1.3
129.07018	2.0
131.04877	1.2
131.07343	1.3
131.08549	2.3
133.10133	1.0
136.03935	1.0
136.07614	5.7
137.05989	1.6
140.07031	1.7
143.07307	1.7
143.08562	1.8
144.08104	1.9
145.10080	1.4
146.06064	1.7
146.09642	1.1
148.03903	1.1
150.05583	1.9
152.07091	2.0
154.06512	1.7
156.08107	3.3
157.08920	1.5
158.09625	1.9
160.07626	3.0
162.05577	1.1
164.07086	2.6
167.07108	1.7
168.06691	1.4
168.08069	1.1
170.09692	3.7
172.07574	9.7
172.09941	2.5
172.11255	1.9
173.10721	2.7
174.07852	2.3
174.09181	4.3
175.08720	4.7
178.08537	1.8
180.08141	1.3
183.06804	1.3
184.07649	8.7
185.07112	1.8
186.07890	1.7
186.09171	7.3
187.08609	2.1
187.12340	5.7
188.09381	1.3
189.10201	6.3
198.09193	10.8
199.08723	4.1
200.07092	12.4
200.09410	5.2
200.10973	2.0
201.06606	1.6
201.10245	12.0
203.08173	1.2
210.09265	1.0
211.08731	4.4
212.07100	4.0
213.06557	2.1
213.10294	3.2
214.07133	2.3
214.08813	2.7
214.10960	1.2
215.08252	3.8
215.11821	17.9
216.08913	1.8
217.09744	6.1
225.10266	3.4
226.08676	7.7
227.08125	9.9
228.06592	2.2
228.08623	1.5
228.10446	1.8
229.06248	1.6
229.09737	29.1
230.10338	2.2
233.08112	1.7
239.08240	2.4
241.09793	3.3
241.45036	1.1
242.08244	1.6
242.10558	3.4
243.07610	2.3
243.08598	1.8
243.11287	33.9
245.09233	29.6
253.09782	6.5
254.08218	2.5
256.08597	1.5
257.09247	17.3
258.10025	3.1
259.10797	6.2
261.12506	1.8
271.10791	100.0
272.08997	1.7
273.12384	4.5
275.10458	1.5
281.09204	11.8
287.10278	34.3
287.13492	1.8
288.11038	1.6
288.41330	1.1
289.08853	1.9
289.11807	14.0
299.10284	28.6
302.09012	1.4
304.10727	1.1
305.11276	8.2
307.12900	1.7
317.11337	62.5
335.12411	16.2
335.15903	2.4
335.19006	1.6
335.66260	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.15
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.6
55.01860	0.9
55.05518	7.8
57.03434	3.3
61.02926	3.2
67.05502	1.2
69.03446	6.8
69.28442	0.9
70.06596	1.8
71.01375	1.3
71.04997	2.8
73.02932	1.5
77.14262	0.9
79.05493	3.0
81.03417	2.6
81.07063	18.8
83.08628	7.8
84.04514	1.0
84.08149	2.3
85.02909	17.4
85.06554	2.9
87.04466	1.4
91.05503	1.4
93.07053	1.5
97.02898	6.2
97.05307	1.2
98.06091	2.0
98.09709	4.0
98.20711	1.8
99.04471	1.2
99.08136	0.9
108.08135	4.0
109.02911	2.0
109.06524	19.4
109.80699	1.0
124.07599	7.8
126.09171	47.9
127.03921	2.7
127.07570	19.1
130.08649	1.0
131.04990	0.9
136.07611	1.4
137.05992	2.7
138.09163	3.3
145.04979	3.1
154.08655	57.8
154.47215	1.0
155.07050	29.7
167.07083	0.9
168.07382	1.3
172.09709	100.0
226.10783	1.8
245.09154	1.2
316.10312	1.1
316.13947	2.5
317.11374	1.0
334.09076	2.7
334.15009	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	334.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	0.9
57.03434	2.2
59.30058	0.9
61.02925	2.4
64.49828	0.8
69.03436	5.6
72.01418	1.0
73.02921	1.8
81.03415	3.1
83.59268	0.9
84.08148	1.3
85.02911	29.4
91.03973	1.2
91.05492	13.6
91.79478	0.9
97.02905	8.4
99.04471	2.0
100.07630	1.7
109.02876	2.7
112.07623	1.5
119.04942	8.6
122.06078	1.2
124.07620	1.0
126.09103	1.3
127.03955	5.7
137.05988	100.0
138.06299	1.7
145.04950	5.2
151.07571	1.8
155.07053	6.8
156.26544	0.8
159.55838	0.8
172.09740	10.6
179.07077	2.3
180.08670	2.5
209.18701	1.0
263.09378	0.9
297.66125	0.9
334.14359	1.3
359.93094	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.2741
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	6.1
55.05508	5.0
57.07064	9.5
61.50019	2.0
67.05501	19.0
69.03419	2.9
69.07059	7.1
69.68340	2.4
71.08630	13.1
71.51585	3.0
72.04521	76.0
79.05491	9.3
81.07059	22.1
83.08623	2.3
85.06564	3.2
89.06023	4.0
91.05489	9.0
93.07036	18.2
95.04990	15.5
95.08611	20.8
97.06555	5.2
99.08087	7.6
100.07645	3.3
105.07033	10.4
107.08623	17.2
109.06522	20.9
109.10149	6.2
114.09174	17.6
117.07023	3.1
119.08555	8.3
121.06538	2.6
121.10139	6.3
128.10709	8.4
131.08583	6.9
133.10091	10.8
137.09613	3.9
137.16994	2.3
142.12263	5.8
148.87184	2.0
149.09657	2.9
149.13269	4.3
151.09711	2.8
159.11693	3.5
161.13327	2.9
162.65488	2.2
165.12773	100.0
173.13260	8.6
175.11208	3.5
179.14398	2.8
180.13847	6.0
182.15445	14.4
184.16977	2.6
191.14333	6.9
201.12712	5.1
212.16501	7.7
220.16957	11.0
229.19620	4.5
236.20090	41.8
271.20605	5.5
289.21701	6.4
316.26425	7.1
334.27441	42.6
335.25781	9.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2038
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79482	0.7
62.23341	0.6
65.32835	0.7
67.05473	0.7
70.56253	2.0
79.05489	0.8
81.07040	1.2
91.05459	1.0
93.07079	1.0
95.08607	1.0
98.98486	9.5
100.98895	1.2
112.79156	0.6
117.59853	0.7
118.95711	0.7
121.06538	0.9
121.10142	0.9
155.42484	0.9
176.98996	1.5
188.04733	0.9
195.09979	3.6
203.07043	2.0
218.17566	0.9
231.06546	1.0
302.24304	0.8
303.85059	0.8
333.20392	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2038
Annotation	Unknow
Peak:m/z	Relative Intensity
57.67357	0.5
60.37211	0.6
67.05497	0.6
69.07079	0.6
69.62774	1.8
69.63183	1.4
79.05490	0.6
81.07047	0.7
91.05495	1.1
93.07042	0.8
95.08612	0.6
98.98476	10.8
100.98920	0.5
105.07015	0.5
105.77225	0.5
119.08583	0.8
123.11700	0.5
176.98917	0.7
193.04958	0.8
195.09926	1.6
231.10847	1.0
333.20370	100.0
334.20551	1.6
351.19946	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2039
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07061	2.1
67.05524	0.8
69.40127	5.3
70.06568	1.1
71.08645	1.2
81.07036	1.7
84.08132	0.9
88.07619	1.0
93.07040	1.1
93.62251	0.8
95.04969	0.7
95.08633	0.9
98.98473	10.9
102.97643	0.9
105.07051	1.8
107.08569	0.7
131.08582	0.7
149.02364	3.6
176.98927	1.6
179.26730	0.8
187.62016	1.0
193.04927	6.1
195.09982	1.7
203.10730	1.1
238.80583	0.7
242.24782	1.0
262.10657	1.5
302.24017	6.1
309.08600	1.0
333.20395	100.0
333.25742	5.6
333.76151	1.1
334.20633	1.3
334.29376	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	1.0
57.07073	1.9
69.03417	1.0
69.17082	9.5
75.69389	1.0
79.05483	1.2
79.46745	0.9
81.07038	1.3
83.04971	1.0
84.05027	1.1
85.81714	0.9
88.07588	1.0
91.05469	1.3
93.07018	1.0
97.53524	0.8
98.98473	20.6
105.07010	2.1
107.08587	0.9
119.08589	1.4
132.52327	1.0
133.10170	2.2
149.02281	2.1
176.98903	2.2
193.04974	2.7
210.64107	3.9
224.65694	4.0
227.17879	0.9
333.16803	5.2
333.20377	100.0
334.20630	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.191
Annotation	9-Hydroxylinaloyl glucoside
Peak:m/z	Relative Intensity
53.03919	4.6
55.01852	5.9
55.05500	20.9
57.03423	11.0
57.07067	13.6
57.99980	4.6
58.65914	4.1
59.04994	6.3
59.91078	5.0
61.44046	4.5
67.05499	10.7
69.03416	16.6
69.07056	18.3
69.44920	36.8
71.04994	28.3
72.08178	29.7
73.02934	6.5
79.05490	7.7
81.03415	8.0
81.07060	40.2
84.04513	32.5
84.08131	5.0
84.43250	4.3
85.02908	55.1
85.06531	8.9
86.09680	8.0
89.93754	4.9
91.05471	12.4
93.07060	29.5
94.72392	5.0
95.04951	7.4
95.08598	20.3
96.04503	5.6
96.08170	5.4
97.02894	12.6
97.06519	11.7
98.20740	5.7
98.98469	25.8
105.07026	10.3
107.08588	24.8
108.04483	7.9
109.06499	9.4
109.10152	13.4
110.09692	42.0
119.08559	6.1
120.08102	7.8
121.10182	4.3
123.04390	6.8
123.08060	5.5
126.09156	4.9
127.03863	5.3
127.11183	7.4
131.08553	4.6
133.05013	5.7
133.10143	8.4
135.11725	31.1
137.05969	13.9
137.13277	5.2
138.09143	47.7
139.03871	5.9
141.12762	35.7
145.04958	6.1
145.10066	5.9
153.12772	100.0
156.10202	17.3
165.05458	5.5
165.12723	13.8
167.07028	15.0
170.11731	12.1
171.08170	5.3
171.12079	21.7
171.13785	42.6
174.11281	48.9
177.12769	5.8
189.12833	5.6
231.13690	5.0
289.08453	4.3
297.18103	27.9
315.09680	8.6
315.13184	8.4
315.18900	12.2
316.24637	5.2
333.06018	27.3
333.10703	11.9
333.14072	10.1
333.20419	32.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.174
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24202	0.9
53.31686	1.0
55.05494	1.0
56.96570	40.6
57.03422	1.2
67.05492	4.2
67.05843	1.0
69.07069	1.6
70.23055	3.6
70.23402	1.0
71.95268	6.9
72.96046	2.3
74.97588	1.2
79.05494	3.5
81.07049	3.4
83.04941	1.3
84.56783	1.3
84.96021	3.9
91.05479	3.8
93.07043	2.9
95.08593	2.9
97.96803	3.5
98.97559	2.5
98.98472	17.6
100.98888	1.4
105.00179	2.0
105.07030	3.1
107.08572	2.7
109.10158	2.4
110.97575	22.3
115.97877	1.6
116.98517	1.6
119.08546	2.9
121.06547	0.9
121.10141	2.0
123.01246	1.2
128.97694	1.9
128.98610	21.5
131.00047	7.6
131.08589	1.2
133.10112	2.4
137.02713	1.4
140.98462	6.8
143.00096	6.2
146.99646	13.2
147.04532	0.9
149.00990	1.3
151.00688	1.3
151.04301	0.9
153.99217	3.4
155.00023	4.0
157.01672	2.5
160.99922	1.2
161.01225	4.5
163.00542	1.2
167.00031	4.0
169.01662	2.3
171.03296	3.4
174.99028	5.8
176.98946	2.5
177.02081	1.7
179.00053	1.3
181.05084	1.8
183.03224	1.8
185.01073	2.2
185.04845	2.6
186.98932	1.2
189.00677	6.2
189.02216	1.7
189.04309	2.1
190.99904	1.0
191.03688	1.1
193.05299	1.4
199.02722	2.1
201.00519	1.5
201.04240	1.2
203.02124	3.0
203.05905	1.7
204.03040	1.0
205.05379	1.5
207.03156	2.0
207.06927	1.6
209.00980	1.6
215.02118	1.1
223.02632	1.9
225.08032	1.1
241.11118	2.4
245.10556	1.5
249.04137	1.2
252.10378	1.0
263.05994	1.7
263.09601	6.0
264.10419	1.2
265.07791	1.1
265.11111	2.6
270.11487	1.1
277.11340	1.0
280.95734	1.2
281.10669	1.5
283.12534	1.2
289.11383	1.1
297.91766	0.9
303.12674	4.0
313.14832	1.8
315.16333	87.3
316.16934	1.4
318.63931	1.0
331.12143	2.1
331.15781	3.9
333.13715	8.1
333.17346	100.0
333.24066	3.5
333.31619	1.8
334.17734	2.1
351.14313	1.4
351.18454	16.6
356.18982	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	333.1673
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05047	6.5
57.05817	2.0
59.30374	0.9
60.05640	3.6
69.04556	1.6
69.31297	8.0
69.31611	1.8
70.06615	1.2
74.92335	1.0
75.61688	1.0
83.06113	2.8
87.17144	1.1
90.65467	0.9
95.06089	3.8
97.07653	1.0
98.07185	1.4
98.98515	1.8
105.03410	1.2
106.06579	1.3
111.05566	9.1
112.08827	1.3
113.07144	3.7
120.04513	5.2
126.06615	4.8
127.07495	1.6
130.06520	1.7
132.04475	17.7
134.06049	5.3
137.04639	1.8
140.08211	2.5
151.06175	10.5
152.07072	1.0
162.05530	2.6
164.07083	10.9
179.08212	2.1
184.72789	1.1
190.08632	1.6
202.09735	7.9
202.28056	1.0
203.08185	1.6
203.71307	1.0
217.09796	7.7
218.25230	1.0
230.09320	6.2
232.10867	2.9
233.09300	1.2
242.09291	3.6
245.09239	25.7
248.13936	1.1
257.10379	6.4
259.11945	49.1
260.10223	2.0
274.11896	1.5
284.11444	11.5
291.14548	100.0
301.14136	2.2
302.12524	49.1
303.12979	1.1
311.05264	1.2
316.14148	3.6
333.16748	83.7
334.17081	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1336
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.4
55.01878	2.5
55.05502	5.4
57.03428	3.9
57.07047	1.6
59.05001	1.6
65.03934	3.2
65.66207	1.3
67.05510	14.2
68.99792	1.9
69.03422	4.7
69.07072	7.9
71.04993	4.3
79.05502	19.4
81.03417	3.3
81.07063	13.4
83.05002	6.0
83.08606	1.9
85.06537	3.0
85.47881	1.1
91.05491	21.1
93.07053	20.5
94.07822	1.2
95.04976	8.3
95.08619	12.2
97.02869	2.2
97.06529	5.0
97.82582	1.4
98.98473	7.7
103.05468	1.7
103.20794	1.1
105.07043	26.1
107.04958	7.5
107.08606	55.2
108.09402	3.9
109.02873	2.1
109.06522	6.8
109.10148	5.3
111.04450	3.7
111.08045	1.5
115.05459	2.3
117.07027	10.0
119.04977	3.2
119.05994	1.3
119.08596	12.7
121.06517	12.8
121.10149	14.0
123.04439	2.5
123.08077	25.7
123.11707	1.9
125.05994	3.5
125.09645	48.9
127.03928	6.9
129.07054	2.2
131.08585	11.7
133.06502	5.2
133.10129	11.9
135.04382	1.3
135.08064	15.5
135.11685	3.3
137.06004	9.1
137.09660	2.7
139.03915	3.6
139.07513	3.5
141.05466	5.5
142.07687	1.8
143.08562	4.3
145.06482	4.1
145.10143	8.3
147.08064	3.9
147.11726	5.9
149.05986	2.1
149.09616	4.3
151.07556	3.9
153.05486	3.7
157.06458	1.3
157.10159	3.4
158.10956	1.2
159.08020	6.0
159.11693	6.9
161.09641	4.5
161.13269	2.0
163.07538	5.7
163.11255	3.2
165.05478	2.6
165.09129	1.6
167.07051	11.3
169.10217	2.1
171.08096	1.2
171.11789	1.3
173.09647	4.5
173.13251	7.4
175.11200	2.0
177.09119	3.8
177.12799	1.5
179.10687	2.4
181.08609	100.0
183.11705	3.5
185.13211	1.3
187.11209	7.0
189.09081	2.0
191.10709	6.8
195.10178	15.8
199.11189	9.1
201.12727	11.5
205.08606	3.6
207.10245	2.4
211.11295	1.9
219.13803	7.3
227.07054	1.8
229.12231	12.9
237.14828	4.2
247.13321	66.8
265.14383	20.4
273.11780	1.3
274.91702	1.2
288.09885	3.2
291.14453	2.9
301.10788	1.3
315.19348	1.4
333.09818	1.8
333.13531	6.3
333.20706	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1084
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.7
55.01865	2.1
55.05512	2.8
56.05027	2.3
56.96568	2.3
61.92447	1.6
67.05503	3.8
69.03416	5.2
70.02949	2.9
70.06595	3.0
71.01343	5.1
71.05002	3.8
72.08139	3.2
73.02911	2.1
79.05482	4.0
80.05018	2.5
81.03421	2.2
81.07067	3.5
81.69074	1.7
83.04976	2.6
84.04502	5.8
84.08150	3.6
85.02898	8.6
85.74759	1.9
86.09689	3.3
87.04457	3.3
91.05479	7.4
92.05026	2.1
93.07059	3.6
95.04945	3.4
95.08610	2.5
96.04488	2.6
97.02879	7.2
97.06561	2.1
98.98476	25.9
99.04467	3.2
100.04005	1.8
103.03921	2.8
105.03369	2.0
105.07014	4.9
107.04995	2.2
109.08463	1.9
111.04453	4.9
113.02346	3.1
115.95547	1.6
117.05772	24.9
118.06540	7.8
119.03687	1.9
119.06079	1.6
120.04478	77.5
120.08127	2.4
121.06479	3.4
122.03667	2.7
123.04487	2.4
123.05567	2.4
124.07571	4.0
127.03929	2.1
129.07040	2.5
130.06535	18.3
131.03485	2.1
132.04427	5.2
132.08107	3.6
133.06561	1.9
135.11595	1.8
136.07570	1.9
137.06004	18.1
138.05484	1.9
139.03943	2.0
143.07274	2.2
144.04442	2.3
144.06853	48.9
144.08072	5.1
145.06514	2.0
145.07623	9.0
146.06033	16.7
147.05516	7.9
148.03998	1.9
151.03902	3.0
151.07639	1.7
153.05498	3.8
154.06491	5.3
155.06050	4.9
156.06841	3.6
156.08073	7.6
156.46214	2.0
157.07626	4.5
158.06032	7.8
160.07599	4.9
161.06044	2.2
163.03882	2.5
163.07597	3.3
165.05559	1.9
167.07098	18.1
168.08095	2.7
169.07628	10.5
170.06035	7.9
170.08394	3.5
171.06795	3.3
171.09181	13.1
172.06293	4.7
172.07590	9.9
173.10786	5.1
176.98863	3.1
181.07637	6.8
182.05966	2.1
182.08360	6.7
183.09201	6.3
184.06248	4.0
184.07639	4.8
185.07155	3.0
188.07042	2.8
195.09212	3.9
196.07600	2.2
197.07057	5.6
198.07883	3.3
199.08734	30.2
200.07121	5.0
201.10258	3.3
209.07201	2.1
215.08221	17.4
218.08258	3.1
223.08597	5.6
227.08136	6.3
228.06514	2.6
241.09715	2.4
243.07658	5.4
244.08440	52.2
245.09265	57.9
245.11775	3.4
251.08069	2.0
259.10739	4.0
269.09149	7.4
287.10312	25.0
288.10034	2.3
297.08624	4.4
301.10739	5.1
305.11435	5.0
315.09760	95.4
315.12866	3.8
333.10797	100.0
333.14340	11.5
333.23987	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	332.1345
Annotation	5'-O-beta-D-Glucosylpyridoxine
Peak:m/z	Relative Intensity
57.03437	1.6
61.02915	1.6
65.03948	1.2
67.05517	3.2
69.03438	6.5
69.15811	1.2
69.16211	4.6
69.95344	0.5
71.05009	0.6
73.02917	2.1
79.05495	1.4
81.03416	2.3
81.07069	0.7
85.02915	7.7
87.04459	1.3
91.03998	0.6
93.05807	0.8
96.08115	0.8
97.02902	3.5
99.04500	0.9
106.06551	4.7
108.08126	100.0
109.02881	1.4
109.08481	0.9
123.06812	3.9
124.07599	17.4
124.08508	1.0
125.02496	0.7
127.03967	0.8
134.06035	10.3
135.81821	0.5
136.07585	13.7
145.05078	0.5
152.07079	69.7
154.08636	2.3
170.08130	9.0
201.00919	0.5
254.10446	0.5
314.12363	39.7
315.12677	0.8
317.95410	0.5
332.13416	47.7
349.44489	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2845
Annotation	1-Palmitoyl-sn-glycerol
Peak:m/z	Relative Intensity
55.05518	14.4
57.03432	6.9
57.07084	100.0
67.05520	29.4
69.07076	19.0
69.31149	18.9
71.08640	75.4
71.67693	2.1
75.04494	3.4
79.05473	3.6
81.07071	39.2
83.08628	26.9
85.10195	39.1
89.06052	3.3
93.07037	2.8
95.08621	63.0
97.10176	11.4
97.89588	1.9
98.20792	4.0
98.98483	42.5
99.11752	3.4
103.07587	2.6
109.10176	24.8
111.11720	5.5
123.11748	14.2
125.13241	2.2
137.13277	5.6
137.17502	2.5
151.14777	3.9
176.98872	2.8
182.93530	2.0
198.77806	2.1
221.22717	3.6
239.23718	21.9
257.24817	10.8
313.27414	67.8
331.34061	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	332.1344
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.2
55.01878	1.4
56.96573	1.0
57.03440	2.2
61.02926	2.2
65.03938	1.3
67.05509	3.1
67.57027	0.6
69.03440	9.7
69.83991	2.3
70.03751	0.6
71.01342	0.7
71.05000	1.2
73.02919	3.2
75.98569	0.6
79.05498	1.3
81.03433	2.2
81.07059	0.9
85.02435	1.3
85.02916	14.0
87.04470	2.5
91.03998	0.8
93.05785	1.2
96.08119	1.3
97.02908	6.0
98.97595	3.0
99.04420	1.3
101.00854	0.9
106.06563	4.0
108.08128	100.0
109.02895	1.3
109.08494	0.9
119.01878	1.1
123.06812	3.5
123.44132	0.6
124.07603	19.0
127.03931	3.7
130.71115	0.7
132.64935	0.6
134.06041	13.2
136.07590	16.5
136.44078	0.6
145.05003	1.0
150.28261	0.7
152.07079	72.5
154.08630	1.9
157.03516	1.0
161.05638	5.3
170.05226	2.2
170.08124	10.1
203.03989	0.7
219.07158	1.1
242.07698	0.7
251.08128	1.2
261.08246	0.7
311.00696	0.6
314.12360	38.2
315.12671	1.5
321.10410	4.4
332.13409	51.4
333.13727	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2844
Annotation	1-Palmitoyl-sn-glycerol
Peak:m/z	Relative Intensity
55.05511	14.9
57.03431	6.9
57.07079	100.0
67.05508	27.6
69.07073	16.3
70.06590	4.2
71.05004	1.9
71.08636	67.6
75.04488	2.5
81.07063	35.5
83.08617	23.8
85.10187	34.6
88.07613	1.7
89.06017	1.5
92.10845	1.4
95.08615	56.6
97.10176	13.8
98.98469	22.6
99.11707	2.2
104.46578	1.5
106.08698	2.7
109.10159	24.9
111.11726	3.1
123.11718	8.4
125.13274	3.0
137.13243	5.8
151.14941	1.9
157.16031	1.5
165.16418	1.7
221.22755	1.7
239.23697	17.6
257.24799	7.3
274.20630	1.6
313.27380	59.3
313.32846	2.3
316.62643	1.9
331.34030	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	331.2843
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	8.8
57.03434	5.0
57.07076	66.3
67.05499	18.3
69.07072	15.7
69.24291	10.1
69.24704	6.8
70.06589	11.8
71.08637	42.1
77.68350	2.0
79.05457	1.9
81.07062	22.0
82.40983	1.7
83.08628	19.4
85.10181	28.3
85.74321	1.6
88.07629	12.2
89.07974	2.8
89.95592	1.6
89.96232	1.9
91.05437	2.6
93.07056	3.1
95.08614	33.6
97.10167	6.1
98.98470	83.5
100.98877	2.7
102.09206	2.4
106.08659	6.1
109.10172	14.5
111.11725	3.3
119.08559	2.3
123.11701	7.5
137.13252	3.5
174.99271	3.5
176.98944	4.3
239.23761	10.7
257.24774	4.1
313.27350	31.2
313.32828	6.6
331.34006	100.0
344.65021	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.227
Annotation	16alpha-Hydroxyprogesterone
Peak:m/z	Relative Intensity
53.03946	0.8
55.01875	1.5
55.05513	2.0
57.03444	1.2
65.03929	1.2
67.05510	3.4
69.03429	1.2
69.07067	3.5
69.44514	5.2
71.04983	1.2
79.05502	8.6
81.03406	1.0
81.07050	7.1
82.74546	0.7
83.04984	4.5
85.02901	0.9
85.06544	2.1
91.05490	6.4
93.07047	5.7
95.04966	1.9
95.08608	5.6
97.06536	85.3
98.98473	100.0
99.04469	0.8
99.08115	0.7
100.98907	3.4
103.05452	1.0
105.07049	5.6
107.04961	2.1
107.08606	4.8
109.06524	62.3
109.10151	2.6
115.05516	0.9
116.99481	1.6
117.07025	1.8
119.04916	1.7
119.08607	5.3
120.08096	1.0
120.83695	0.7
121.06516	3.5
121.10167	3.2
122.09638	0.9
123.04405	1.3
123.08082	6.5
123.11724	1.9
129.07016	2.7
131.04968	1.5
131.08565	2.5
133.06505	0.7
133.10136	3.6
135.08081	1.9
135.11711	1.8
136.07579	1.1
137.05992	4.0
137.09615	1.1
141.07004	2.3
143.08597	3.7
145.10112	6.7
147.04491	1.0
147.08035	1.2
147.11702	3.7
149.05997	1.0
149.09647	1.9
150.09140	1.5
151.03903	1.2
151.07556	1.5
151.11191	0.7
152.06242	2.3
153.07021	3.7
155.04929	1.1
155.08595	1.5
156.09273	1.3
157.06563	1.7
157.10123	3.4
159.08047	0.8
159.11678	4.2
161.09595	2.4
161.13257	1.5
163.11201	1.7
165.06982	5.1
165.09123	0.8
167.07144	1.1
167.08565	1.4
168.05754	3.0
169.06470	1.4
169.10130	1.6
170.07222	1.2
171.08119	0.8
171.11690	3.2
173.09709	0.8
173.13292	2.7
174.99252	3.2
175.11177	1.7
175.14871	1.7
176.98973	6.1
177.05464	0.8
177.12743	2.0
179.08528	0.8
180.05727	0.9
181.06485	3.5
181.10173	0.9
182.07265	1.4
183.08052	3.8
183.11740	1.9
185.06007	2.2
185.09694	0.9
185.13286	1.7
187.14766	1.4
189.12709	1.7
191.14299	0.8
193.06442	1.3
195.04173	0.7
195.08020	1.9
196.05228	1.8
197.06015	2.8
197.13211	1.1
198.06813	1.4
199.07562	1.6
199.11269	1.0
199.14841	1.8
201.05569	1.3
205.12279	0.9
205.15747	0.8
209.05891	1.3
209.13243	1.1
210.06763	3.1
211.07559	5.4
211.14825	2.0
212.04683	1.0
212.08363	1.2
213.05507	2.5
213.09015	1.6
213.16515	1.2
214.06326	1.1
215.06883	0.9
215.14301	1.0
219.13829	0.9
221.06079	0.9
221.13271	0.8
223.07701	1.0
225.05566	1.5
225.09195	2.2
225.16373	1.3
227.07031	2.5
228.07820	2.6
229.15895	1.9
230.05768	1.5
235.14946	0.9
237.05432	1.3
237.16396	1.7
238.06262	2.5
239.07001	1.6
239.14365	0.9
241.04974	1.4
241.08609	1.9
243.10196	1.0
243.13747	0.7
245.08157	0.8
251.17772	1.0
253.08641	2.3
253.19528	3.1
255.06496	1.4
255.17462	2.2
256.07224	1.3
257.08139	1.1
267.17584	1.2
269.18866	1.0
270.08694	1.0
271.09537	3.4
271.20627	3.5
287.20135	0.9
295.20496	5.9
299.09180	1.9
302.11438	0.9
305.11359	2.5
313.18253	1.2
313.21643	6.7
331.11804	46.1
331.19531	2.2
331.22678	52.2
332.22739	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1542
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.2
53.33652	1.7
55.01874	3.2
55.05495	1.6
57.03423	2.3
65.03933	3.9
67.05497	3.4
68.47342	1.7
69.03426	5.5
69.07062	2.5
69.67626	9.6
70.06557	1.9
71.04971	2.1
72.08143	4.5
79.05473	5.7
81.03445	1.8
81.07071	9.7
83.04975	4.4
85.02892	6.2
85.06532	7.2
86.09725	3.9
87.53163	1.7
89.03913	1.8
91.05489	30.5
93.07045	5.4
94.04166	2.0
95.04964	8.0
95.08604	3.6
95.43597	1.7
98.98476	100.0
100.98937	2.9
103.05472	6.2
104.85044	1.8
105.07019	8.3
107.04955	7.2
107.08593	4.4
109.06522	5.7
109.10159	7.3
113.05993	2.3
113.31105	1.7
115.05445	3.2
119.04941	19.3
119.08560	2.9
121.06498	9.8
121.10125	2.6
122.03609	9.1
123.04427	2.1
123.08054	2.2
123.11721	7.1
124.07584	6.2
128.06235	6.6
129.07001	17.1
131.04887	6.0
131.08536	3.4
133.06476	3.5
133.10112	3.9
135.08034	4.5
136.05200	2.2
137.05988	77.0
139.11185	2.8
145.06433	6.2
146.03647	2.4
147.04410	2.8
148.05212	2.1
149.06003	15.9
151.03992	2.7
151.07549	89.7
151.11186	4.9
152.06175	4.7
153.06931	2.8
154.07799	2.5
157.06476	12.9
159.04405	2.1
161.06004	18.5
161.09651	4.8
163.07552	18.9
165.06987	15.6
165.09111	4.0
166.07782	4.4
167.07228	3.6
167.08549	19.3
169.06473	3.1
169.12242	42.2
173.12938	2.1
174.06778	5.9
174.99239	3.8
175.07538	4.3
176.98895	6.6
177.05438	2.2
177.07013	1.9
177.09085	3.2
178.07822	6.3
179.08508	2.9
181.06480	4.4
182.07249	4.5
183.08089	3.5
184.08842	2.7
187.07483	2.5
189.09116	30.1
192.09189	2.0
193.06477	8.8
193.10109	6.7
195.08080	21.9
196.08916	2.2
197.06004	9.5
203.08586	2.8
205.06520	1.9
207.08200	2.0
207.10196	6.4
209.05968	4.6
209.09631	2.3
210.06787	10.7
211.07547	7.7
212.08293	5.2
214.06158	2.2
221.06079	8.9
221.09642	10.7
223.07475	9.0
224.08376	3.5
225.09067	12.8
227.06970	4.5
227.10661	27.9
231.07945	2.2
237.09116	3.6
238.06235	7.3
239.06935	4.6
240.07840	4.9
243.11180	2.6
249.09146	6.9
250.94583	1.9
253.08554	15.0
253.12248	16.8
255.06435	3.7
255.10110	25.9
265.86340	2.0
267.10196	5.8
269.08157	5.3
269.11581	2.4
270.08737	4.1
271.09848	2.4
272.10474	4.7
281.11777	3.9
284.10400	2.8
285.11270	17.6
287.12811	35.9
299.09238	3.1
299.12442	2.1
303.13168	2.4
313.11737	3.1
313.14679	12.3
313.17877	3.2
316.09042	3.3
331.12048	13.5
331.16724	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	331.1543
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	1.6
55.01890	2.4
55.05510	3.1
59.05006	0.9
65.03955	1.9
67.05506	3.2
69.03439	2.4
69.07069	1.9
71.04997	1.7
71.51529	1.0
71.51895	1.3
73.20820	0.9
79.05508	4.5
79.78338	0.9
81.07060	4.9
83.04987	2.1
84.08157	1.0
85.02906	1.8
85.06547	1.4
88.14378	1.0
91.05495	19.0
93.07051	3.6
94.04192	2.7
95.04984	6.3
95.08643	3.2
98.98480	100.0
99.53084	1.0
100.98907	4.0
103.05491	6.6
103.17180	1.0
105.03413	0.9
105.07049	5.4
107.04928	4.7
107.08602	2.4
109.02949	1.3
109.06548	3.3
109.10188	3.0
111.04436	1.6
115.05462	1.7
116.41886	0.9
117.07032	2.1
119.04951	10.2
119.08608	2.6
121.06506	5.4
122.03663	4.1
123.04459	2.2
123.08059	1.2
125.06055	1.2
128.06233	2.4
129.07034	9.1
131.04948	11.3
131.08600	1.7
133.06503	2.9
133.10188	1.8
134.03757	1.0
135.04466	1.5
135.08095	4.4
136.05241	1.4
137.05998	45.9
141.07028	2.2
143.04903	1.7
143.08591	1.9
145.06514	2.8
145.10135	1.7
147.04408	2.0
147.08116	2.0
147.11743	1.2
149.05995	8.5
149.09679	1.5
151.03957	3.3
151.07564	48.6
152.06204	5.5
153.05881	1.0
153.06990	6.3
154.07806	1.7
155.04913	1.7
155.08617	3.1
157.06514	9.4
159.08075	2.2
159.11789	1.6
160.05255	1.1
161.05991	6.8
161.09673	3.9
162.06844	1.1
163.07559	8.9
165.07021	12.3
165.09189	3.1
166.07758	2.3
167.04958	1.0
167.07220	1.7
167.08551	9.0
168.05788	3.9
169.06505	5.2
169.10204	1.0
170.07240	2.0
171.08131	1.9
174.06837	4.2
174.99284	4.2
175.07578	2.1
176.98929	7.3
177.05507	1.5
177.06993	1.6
177.09169	2.3
178.07823	2.4
179.07170	1.2
179.08644	1.4
181.06519	7.0
181.10051	1.3
182.07359	3.8
183.04442	1.5
183.08072	5.5
185.06044	2.3
187.07458	1.5
189.09128	19.0
189.12770	1.7
193.06444	4.7
193.10187	3.1
194.07309	2.8
195.04395	1.1
195.08063	13.6
196.05295	2.8
197.05965	6.0
197.09732	1.9
198.06812	3.1
199.07611	3.0
199.11240	1.8
201.05565	3.6
203.08748	1.6
207.08209	1.3
207.10065	1.4
208.05258	2.3
209.05930	4.3
209.09677	2.8
210.06776	8.0
211.07544	10.0
212.04732	1.3
212.08435	4.2
213.05423	4.9
213.09288	1.8
214.06380	2.3
215.10735	1.2
219.06502	5.2
221.06076	4.9
221.09575	5.3
222.07042	1.2
223.07602	5.1
224.08377	2.3
225.05527	2.0
225.09094	6.8
225.12898	1.5
226.06209	2.2
227.07141	5.2
227.10646	15.0
228.07739	2.2
230.05780	1.7
237.05562	1.8
238.06319	4.4
238.09903	1.6
239.07092	4.1
240.07889	2.1
241.05099	2.5
241.08710	2.0
243.06453	2.1
243.10347	1.6
249.09222	2.2
252.07930	1.5
253.08592	9.1
253.12199	8.3
255.06569	2.8
255.10168	14.9
256.07272	1.5
257.08167	2.3
267.10306	2.9
269.08228	3.3
269.11652	1.4
270.08707	2.9
271.09552	5.5
272.10437	2.7
273.07819	1.9
281.08231	1.0
281.11823	3.1
284.10654	1.1
285.11243	9.8
287.09662	1.7
287.12790	22.7
287.15854	1.6
299.09225	4.5
301.07346	1.1
301.10883	1.4
301.21735	1.7
313.11313	1.4
313.14456	5.3
313.17914	1.8
313.21552	2.0
316.09097	7.7
331.04688	2.2
331.11841	56.8
331.19025	4.5
331.22754	3.4
332.12445	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1542
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42997	1.4
53.03962	1.4
53.04757	1.4
55.01882	2.2
55.05518	1.8
57.03440	2.1
67.05502	4.9
69.03423	1.9
69.07076	2.8
71.25139	3.2
75.13540	1.3
77.16869	1.3
79.05486	4.4
81.07052	6.4
83.04975	2.7
83.08636	1.5
85.02865	2.0
86.09760	1.7
91.05483	31.7
91.06020	2.2
93.07076	2.4
94.04190	4.1
95.04982	7.8
95.08604	7.4
98.98471	100.0
100.11272	4.1
100.98916	2.5
103.05463	5.6
105.07024	7.0
107.04981	8.6
107.08614	2.6
109.06525	5.9
111.04480	2.2
115.05472	3.0
117.06998	2.7
119.04936	17.9
119.08582	2.4
121.06487	7.3
121.10206	1.8
122.03642	6.5
123.04431	1.8
128.06248	7.0
129.07004	15.1
131.04961	7.5
131.08589	3.9
133.06503	2.1
135.04395	2.3
135.08055	7.9
135.11678	2.1
136.05196	3.5
137.05984	80.4
141.07025	1.6
143.08513	2.3
145.06522	2.7
145.10089	2.6
147.08104	1.7
148.05167	2.4
149.05984	13.6
151.03966	2.8
151.06303	3.9
151.07547	82.6
151.11110	2.0
152.06223	6.0
153.07027	4.7
157.06512	12.1
157.10204	2.4
161.05998	14.5
161.09671	3.5
163.07545	21.4
165.07037	14.5
165.09158	6.1
166.07768	3.5
167.07185	2.7
167.08553	15.8
169.06503	4.4
169.10132	1.8
174.06804	7.7
174.99371	1.6
175.07579	3.2
176.98907	6.9
177.06989	2.5
177.09128	2.7
178.07840	7.3
179.08646	2.2
181.06529	6.7
181.10100	1.7
182.07288	5.1
182.15456	2.3
183.08131	3.0
187.07603	2.5
187.11183	1.7
189.09119	37.3
189.12761	1.5
192.09201	1.6
193.06502	5.9
193.10091	10.7
194.07271	4.1
195.08076	21.1
197.06032	5.9
197.09688	1.8
199.07544	4.0
202.07639	1.9
203.08572	3.3
205.06543	2.7
207.10199	4.5
209.05792	7.0
209.09654	4.3
210.06793	10.2
211.07561	5.6
212.08319	6.3
213.05469	2.0
217.12244	1.7
219.08064	1.5
220.08827	2.4
221.05972	9.7
221.09573	11.8
222.06825	2.4
223.07579	12.8
224.08353	4.5
225.05453	2.1
225.09119	12.8
227.07198	3.3
227.10663	27.7
234.06845	1.8
237.05290	2.4
237.09178	2.7
238.06303	5.7
238.09991	1.8
239.06883	3.4
240.07800	2.8
241.08562	2.8
249.09175	4.5
252.07831	3.0
253.08644	12.5
253.12245	17.7
255.06367	2.8
255.07285	2.1
255.10176	28.2
256.07489	3.4
267.10239	8.1
269.08130	5.0
269.11502	1.9
270.08533	5.1
271.09793	6.5
271.13220	1.7
272.10550	3.2
281.11749	4.5
284.10355	1.7
285.08127	2.3
285.11273	19.9
287.12811	40.4
299.09247	5.2
303.09665	3.1
313.14481	13.4
313.17798	3.0
316.09070	5.8
331.11905	32.2
331.15390	3.2
331.19211	3.8
331.22784	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1542
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03952	2.0
67.05514	4.9
69.03455	4.0
71.42585	4.7
79.05502	5.3
81.07073	5.4
85.02921	4.1
91.05489	37.5
93.07056	7.2
94.04224	3.6
95.04978	7.1
95.08603	3.4
98.98480	81.6
100.98933	2.1
102.06705	1.8
103.05489	6.6
105.07062	8.0
106.07393	2.2
107.04950	9.7
107.08583	2.7
109.06533	6.4
109.10146	2.9
115.05413	3.8
117.07031	2.9
119.04973	21.3
119.08602	3.3
121.06497	9.6
121.10187	3.1
122.03706	10.9
122.04472	2.5
128.06226	5.2
129.07013	17.7
131.04927	6.8
131.08598	3.2
133.06525	3.2
134.03658	2.0
135.08051	7.5
136.05206	3.2
137.05992	99.0
145.06462	4.1
146.03621	2.5
149.06024	13.2
151.03914	5.9
151.07565	100.0
152.06181	3.5
153.06985	4.7
157.06491	16.2
161.06013	17.7
161.09674	2.9
162.06691	2.3
163.06267	3.3
163.07567	28.4
164.08397	3.0
165.06981	15.7
165.09146	5.7
166.07870	3.1
167.07199	4.4
167.08534	19.0
169.06503	3.3
174.06790	7.2
174.99243	2.1
175.07492	6.3
176.98936	6.8
177.07016	3.5
177.09042	3.4
178.07843	6.8
179.08601	3.3
181.06525	8.7
182.07300	6.5
187.07587	3.0
189.09125	34.7
191.08679	2.0
192.09323	2.5
193.06570	8.9
193.08560	2.0
193.10185	10.2
193.85432	2.1
194.07263	4.2
195.08069	31.4
196.05319	1.8
196.08798	2.9
197.06003	7.0
197.09639	2.5
203.08565	2.0
207.10123	5.2
209.06023	3.9
209.09714	3.8
210.06801	12.9
211.07553	6.0
212.08351	5.6
221.06064	14.4
221.09581	11.1
223.07559	12.5
224.08389	4.6
225.05579	4.6
225.09111	14.2
227.07077	3.7
227.10687	30.2
234.06694	2.0
238.06291	8.9
238.09731	2.6
239.06982	3.0
240.07788	4.4
241.08513	4.1
241.12004	2.2
249.09132	6.3
252.07881	4.0
253.08624	19.5
253.12192	14.7
255.06454	3.5
255.10208	30.8
263.10703	2.8
266.09656	3.1
267.10361	4.9
269.08194	3.6
270.08701	2.7
271.09818	3.6
272.10501	5.1
281.08130	4.0
281.11786	6.2
285.11221	21.0
287.12799	47.1
313.10870	15.1
313.14429	9.5
331.12027	20.4
331.15579	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	330.2641
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54454	0.8
55.05502	3.7
57.03437	4.6
57.07066	3.3
67.05508	8.9
69.07053	3.1
70.06594	4.3
70.63430	3.0
71.04998	1.1
71.08614	1.3
72.08131	2.5
79.05494	5.1
79.05865	0.8
81.07068	7.6
83.04986	0.8
83.08618	3.3
85.10177	0.9
87.04478	12.0
88.07637	7.6
91.05460	2.5
93.07059	4.7
95.08605	4.4
97.06545	1.4
97.10126	1.3
98.98470	100.0
99.08059	0.9
99.98850	1.2
100.98882	1.2
101.06017	16.7
102.09174	4.0
105.07030	2.5
107.08587	1.6
109.10157	2.4
111.08080	1.7
116.99464	1.2
119.08594	1.7
121.10109	1.4
123.11693	1.8
125.09647	1.1
133.10110	2.2
135.08107	1.1
135.11668	1.1
146.84140	1.0
147.11653	1.3
147.71582	0.9
149.13277	1.2
152.71970	0.9
155.10663	1.3
156.17540	1.5
173.11732	2.7
174.99248	4.8
175.99565	1.4
176.63484	0.9
176.98953	3.7
181.94437	0.9
256.26370	7.3
268.29883	2.1
270.27890	3.9
277.21640	2.4
295.22665	2.3
330.29971	29.0
330.33682	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	330.2641
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39970	1.3
55.05504	6.4
56.96598	1.5
57.03434	2.4
57.07066	3.9
67.05504	11.5
69.07059	4.2
69.81802	7.9
70.06597	2.7
71.08618	1.5
72.08144	2.2
79.05495	6.8
81.03403	2.0
81.07071	10.9
83.04972	2.8
83.08605	4.0
84.04508	2.3
85.06576	1.6
87.04476	8.5
88.07651	2.3
91.05479	4.4
93.07059	7.5
95.08623	6.5
97.06554	1.3
98.21439	1.5
98.98474	100.0
101.06007	2.3
102.09133	1.3
105.06986	2.5
107.08604	3.1
109.10173	7.1
115.96606	1.3
116.99458	1.8
119.08589	3.0
121.10146	3.7
123.11699	2.4
130.04984	1.5
137.09595	1.7
139.11206	1.6
143.51563	1.4
147.11716	1.8
148.05997	2.7
151.11272	1.5
155.10645	1.9
167.53214	1.2
172.13353	2.4
173.11743	6.3
174.99225	3.8
175.99568	1.6
176.98907	5.8
190.93088	1.5
224.70963	1.3
230.68613	1.5
246.99066	1.6
270.28030	2.6
277.21680	5.3
295.22736	2.4
303.89285	1.4
330.29987	10.9
330.33688	8.4
331.18820	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	330.2641
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	2.6
57.03426	1.2
57.07074	1.2
60.04526	0.9
67.05499	7.3
69.07050	2.0
70.06600	1.9
71.50448	1.0
79.05482	2.4
81.07056	3.9
83.08664	1.7
87.04460	3.9
88.07662	1.5
91.05476	2.2
93.07038	1.4
95.06116	1.3
95.08609	1.8
98.98473	100.0
100.98878	1.7
109.10183	4.9
116.99511	1.5
119.08579	1.4
121.10165	1.1
129.89853	1.0
133.10149	1.3
140.14534	1.0
173.11755	4.3
174.99229	4.2
176.98979	4.9
206.48586	1.1
230.01131	1.0
270.27960	1.4
288.50217	1.0
301.64410	1.2
330.29980	6.2
330.33652	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	330.3367
Annotation	icosasphinganine
Peak:m/z	Relative Intensity
54.08405	0.2
55.05511	0.3
57.07082	7.7
58.06591	0.5
62.06076	0.4
64.35807	0.2
68.05035	0.2
68.36411	0.2
70.06597	12.5
70.75444	0.3
71.08237	0.2
71.08636	3.3
78.20454	0.2
80.33945	0.2
85.10182	1.3
86.06073	0.2
88.07638	16.3
88.52860	0.1
92.61679	0.1
98.98476	1.5
101.78407	0.2
102.09189	4.4
106.08676	9.0
148.50194	0.2
258.92380	0.2
268.30017	0.3
286.31229	0.9
312.32635	6.1
330.33670	100.0
331.34039	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	330.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	2.5
56.05035	3.7
57.07079	17.4
60.04523	2.0
67.05504	5.3
69.07069	1.4
69.41397	4.9
71.08637	8.4
74.06081	2.4
79.05515	0.6
81.07061	5.9
83.08619	1.7
84.04510	100.0
84.49931	0.6
85.02931	0.7
85.04865	0.6
85.10198	4.7
87.04478	2.7
88.32532	0.6
93.07048	1.3
95.08615	8.8
97.10156	1.3
98.98473	25.7
102.05549	35.5
109.10161	5.2
120.06599	2.4
130.05013	80.2
148.06056	78.4
174.99255	1.8
176.98912	0.8
183.17477	4.3
194.34273	0.8
271.94247	0.6
330.22891	1.3
330.30032	4.3
330.33542	1.6
333.57285	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.264
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	27.9
67.05506	9.8
69.03425	4.0
69.07066	6.3
69.61648	1.6
70.56837	3.5
71.08634	7.7
79.05493	7.7
81.07056	8.0
83.04948	2.2
83.08620	17.9
83.87987	1.6
85.06564	2.2
87.04451	3.7
91.05482	3.9
93.07047	5.5
95.08601	2.1
96.08167	1.6
97.10176	36.2
98.98468	100.0
99.08084	5.9
100.98928	2.2
107.08595	10.8
107.20165	1.5
109.10175	3.0
109.41279	1.9
114.58949	1.7
116.99479	1.8
119.08502	2.0
125.09634	29.4
133.10085	2.2
134.20854	1.7
135.07977	1.8
135.11746	4.0
151.11192	4.4
161.13260	2.1
163.11227	2.6
171.10175	4.9
174.99248	5.3
176.98938	5.8
189.11230	45.7
194.24323	1.8
263.43414	2.0
272.96414	2.1
277.21652	24.5
295.22665	4.3
298.62006	2.2
330.30005	4.3
330.33719	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	328.2485
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04249	1.9
55.01878	4.0
55.05521	26.9
55.05768	3.4
67.05512	14.1
69.03420	3.1
69.07078	25.4
70.30091	7.5
79.05499	17.5
81.03423	2.4
81.07050	11.6
83.04968	2.0
83.08627	21.3
87.04461	2.0
89.71285	2.2
91.05487	9.2
93.07046	7.6
95.08605	7.0
96.40041	2.0
97.10187	36.1
98.98480	100.0
105.07042	8.2
107.04942	2.3
107.08608	41.8
109.10112	2.5
117.06975	2.9
119.08600	5.8
121.10173	3.1
125.09647	34.3
131.08575	3.8
133.10130	5.6
135.08044	2.6
135.11832	2.2
136.23808	1.8
145.10262	2.7
147.11720	2.9
149.09668	5.3
153.09186	2.5
159.11723	3.9
171.10187	5.3
174.99167	8.9
175.99681	2.0
178.69954	2.2
189.11241	42.9
239.17940	2.7
257.19012	3.9
275.20096	45.3
293.21268	3.6
305.83105	2.0
306.85175	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.2484
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.9
55.05519	6.9
57.03430	1.6
64.73287	1.7
67.05508	16.7
69.07072	4.7
69.98497	1.5
70.89683	3.4
79.05505	10.8
81.03414	1.6
81.07059	10.7
83.04951	1.7
83.08624	4.5
85.06566	1.7
86.80654	1.4
91.05498	9.9
93.07050	12.6
95.04966	3.7
95.08604	5.7
97.10178	3.2
98.64798	1.3
98.98474	100.0
104.11556	1.3
105.07023	6.0
107.08612	7.5
109.10164	10.2
116.99522	1.7
117.06988	2.7
117.79343	1.3
119.08575	8.3
121.10159	7.0
123.08069	1.4
131.08630	2.5
133.10167	4.9
133.36247	1.5
137.09596	4.4
144.69518	1.3
145.10143	3.0
147.11743	3.3
149.09596	1.5
154.12271	2.6
155.10719	2.0
158.89514	1.3
172.13409	2.5
173.11760	3.2
174.99187	6.8
176.98860	3.5
275.19980	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	328.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79768	0.9
54.80796	0.9
55.05521	1.0
55.69467	0.9
57.03431	1.7
58.13276	1.0
59.05005	19.5
67.05499	1.6
69.03405	0.8
69.07071	1.3
69.58590	1.8
69.58894	6.5
70.06586	2.6
72.08153	5.1
73.06563	36.9
76.21991	0.9
79.05502	1.1
84.08167	1.6
85.02910	4.0
86.09721	10.3
91.05485	1.4
95.04952	1.0
97.02897	1.0
98.21478	1.9
98.98473	85.9
107.08528	1.0
114.20560	0.9
116.07076	5.3
116.99519	1.3
117.09158	4.4
120.08116	4.6
120.08848	0.9
121.02837	1.2
123.08005	1.1
124.07586	1.0
125.05996	1.2
131.10681	4.1
137.05981	6.0
138.09123	2.1
145.04994	1.1
145.06560	1.0
148.07581	4.0
149.11755	22.0
152.07127	1.4
158.79803	0.9
166.08696	4.0
174.99223	5.9
175.06313	3.3
175.99718	1.0
176.07071	6.0
176.98979	2.5
185.16505	3.3
190.08644	100.0
191.09390	6.5
196.13460	2.0
209.03352	1.0
297.07428	1.3
299.09225	1.2
317.32648	1.2
328.15469	89.7
329.06485	2.9
329.10223	1.3
329.15671	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	2.0
53.27583	1.2
56.67575	1.0
58.02958	1.1
67.05505	1.5
69.03433	2.7
70.06593	3.8
71.51875	1.4
72.08154	2.4
75.84205	1.1
79.05498	1.5
81.03384	1.1
84.08176	1.6
85.02905	6.0
86.09702	4.6
88.04018	1.3
91.05453	1.8
91.15203	1.0
93.58728	1.2
95.04987	1.5
95.08603	1.9
97.02887	1.9
98.98473	100.0
105.03403	55.3
105.04442	1.3
105.07037	2.0
106.03740	1.1
108.08158	1.4
110.06035	1.3
110.09656	1.6
116.07081	2.1
116.99472	1.8
120.08109	2.4
121.06461	1.3
122.09737	1.6
124.07596	2.4
125.05942	1.3
127.03940	1.7
136.07671	1.9
137.05954	2.3
138.09125	7.5
145.05026	1.5
148.07584	4.9
149.05989	12.9
150.09155	4.4
162.09178	1.1
164.07042	1.7
165.94200	1.0
166.08647	64.7
168.10229	2.1
174.99217	7.7
176.98955	3.6
184.09854	1.4
190.08658	10.9
192.06662	2.1
207.13885	1.6
328.15707	11.8
329.12177	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	327.0484
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73046	4.6
55.01863	6.1
56.96580	29.5
57.03443	17.3
61.02930	10.1
69.03444	39.1
69.89136	23.7
71.01369	27.2
71.04991	7.6
73.02898	5.9
74.28857	4.9
79.93389	5.2
81.03419	16.4
84.96061	25.7
85.02915	66.9
87.04475	7.9
90.42137	5.0
97.02879	29.6
98.21516	7.8
98.97594	62.3
98.98487	20.9
101.00903	16.7
110.97588	43.6
113.00895	12.1
115.02467	5.0
116.98621	14.6
119.01936	19.0
124.99162	5.3
127.03926	17.9
128.91832	5.1
128.98628	27.5
129.01964	4.7
131.00206	5.9
131.01918	8.7
133.03484	8.8
138.97206	5.5
140.98564	7.7
143.01936	6.7
145.03462	6.8
145.04988	11.7
146.99617	7.3
155.01854	10.4
156.98125	14.3
157.03537	18.6
158.99637	10.6
159.01491	9.3
165.01642	19.2
171.01295	5.2
174.99138	15.1
175.04460	6.3
179.02261	11.6
181.48734	5.0
182.99722	12.6
183.01389	6.7
185.02969	12.4
186.99171	9.6
192.04745	7.8
194.07042	9.1
194.57236	5.6
195.07042	8.9
196.97581	5.5
197.03041	8.3
201.00786	5.8
209.03035	5.6
214.98759	6.7
219.01810	9.1
221.03308	7.2
223.06706	10.4
224.06787	5.9
225.06316	6.7
237.08000	5.9
239.04465	14.4
267.07455	5.1
291.09314	14.2
297.04962	6.9
326.60672	8.6
327.04523	100.0
327.11325	9.4
327.15076	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	328.0853
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91560	0.4
53.03951	1.0
55.01879	1.4
57.03439	2.3
60.04545	0.6
61.02932	2.8
67.05521	0.6
67.35737	0.4
69.03437	9.4
69.07090	0.6
70.06618	0.6
71.05007	1.4
71.50922	0.7
73.02937	1.6
74.51128	0.4
79.05482	0.6
81.03428	4.1
85.02917	23.9
86.09709	0.6
87.04472	0.7
91.03983	1.2
91.05475	0.5
93.07060	0.5
97.02905	6.9
98.98479	16.5
99.04497	1.6
104.05018	1.2
109.02885	2.4
112.07642	0.9
119.08538	0.7
127.03937	4.5
138.09171	0.5
145.04980	4.1
148.02177	82.1
148.07553	0.9
149.02477	1.0
166.03244	100.0
167.03595	0.6
174.99216	1.4
189.04723	0.5
195.06583	0.8
196.13358	1.5
242.13922	0.8
292.26471	0.5
296.09738	0.5
310.27249	0.7
328.08362	1.9
328.12305	1.2
329.06818	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10439	1.4
55.01850	1.4
56.85303	1.1
56.96564	1.3
57.03445	1.3
59.05008	40.7
59.57274	1.2
61.02919	2.4
64.71494	1.1
67.05521	1.3
69.03416	4.8
70.06605	8.2
71.01359	2.1
71.50813	1.1
72.08171	1.7
73.02892	1.4
79.05492	1.7
81.03423	2.6
84.08157	2.7
85.02925	11.4
85.06536	1.5
85.90754	1.4
87.04482	11.9
91.05506	1.7
95.04950	1.5
97.02906	2.7
98.09686	1.6
98.98480	83.3
99.04453	1.5
99.24688	1.3
101.06026	13.7
103.42466	1.3
109.02882	1.9
114.67913	1.2
115.03949	39.4
116.99566	1.4
124.07661	1.3
127.03963	1.5
129.05495	100.0
136.07542	1.6
137.05978	1.7
137.52875	1.3
145.04993	2.4
147.06538	48.0
147.07722	2.4
151.03944	1.5
158.34148	1.3
164.07092	5.8
174.99210	8.8
175.49826	1.1
180.08771	2.8
206.06920	1.6
211.14462	1.3
217.90459	1.2
238.18137	1.2
294.08218	1.3
326.11261	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07053	0.9
69.42717	3.5
69.43118	1.6
70.06585	0.7
75.02678	1.2
77.61104	0.7
81.07040	1.0
93.05862	0.7
94.41676	0.8
98.21484	1.7
98.98470	29.4
117.48248	0.8
121.01417	1.4
122.48458	0.7
137.00853	6.2
138.98779	1.1
139.02374	1.3
153.00346	24.4
155.00650	1.3
155.01912	24.5
156.99835	2.3
162.04123	0.9
171.01408	100.0
172.99339	1.2
174.99237	3.4
178.03513	3.3
194.03088	4.6
219.08678	3.3
221.10190	11.0
237.09731	32.1
244.11836	1.0
257.67749	0.8
260.11304	2.8
285.17123	2.7
302.10529	0.8
303.18066	51.8
326.19647	1.0
327.18045	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	326.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10439	1.4
55.01850	1.4
56.85303	1.1
56.96564	1.3
57.03445	1.3
59.05008	40.7
59.57274	1.2
61.02919	2.4
64.71494	1.1
67.05521	1.3
69.03416	4.8
70.06605	8.2
71.01359	2.1
71.50813	1.1
72.08171	1.7
73.02892	1.4
79.05492	1.7
81.03423	2.6
84.08157	2.7
85.02925	11.4
85.06536	1.5
85.90754	1.4
87.04482	11.9
91.05506	1.7
95.04950	1.5
97.02906	2.7
98.09686	1.6
98.98480	83.3
99.04453	1.5
99.24688	1.3
101.06026	13.7
103.42466	1.3
109.02882	1.9
114.67913	1.2
115.03949	39.4
116.99566	1.4
124.07661	1.3
127.03963	1.5
129.05495	100.0
136.07542	1.6
137.05978	1.7
137.52875	1.3
145.04993	2.4
147.06538	48.0
147.07722	2.4
151.03944	1.5
158.34148	1.3
164.07092	5.8
174.99210	8.8
175.49826	1.1
180.08771	2.8
206.06920	1.6
211.14462	1.3
217.90459	1.2
238.18137	1.2
294.08218	1.3
326.11261	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2741
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.9
55.01875	1.3
55.05513	11.5
57.03444	0.9
57.07071	3.2
59.05007	1.7
66.49396	0.5
67.05518	6.8
69.03446	2.8
69.07074	100.0
69.29068	2.6
69.29493	2.4
71.04994	1.7
71.08647	1.2
73.02913	0.7
73.06569	1.3
79.05505	4.7
81.03434	0.9
81.07066	20.4
83.04992	1.3
83.08630	4.5
85.02944	0.5
85.06551	5.4
85.10192	0.7
87.88834	0.5
89.55997	0.6
91.05479	2.9
93.07056	8.4
95.04987	1.5
95.08614	18.7
97.06541	4.4
97.10187	3.1
98.21470	1.2
99.08090	3.4
101.06030	3.5
103.05495	1.3
105.07027	3.8
107.08607	6.5
109.06540	1.5
109.10161	9.7
111.08087	2.7
111.11729	28.4
117.07060	1.1
119.08594	4.2
121.02916	1.5
121.06564	0.9
121.10162	7.7
123.08111	0.8
123.11716	5.4
125.09650	1.7
127.11222	0.7
129.06995	0.6
129.12778	2.1
131.04964	2.1
131.08611	1.0
133.09224	0.5
133.10153	2.5
135.11719	4.7
137.06017	2.3
137.09599	0.7
137.13274	1.6
139.11197	23.5
142.33739	0.6
145.10161	1.8
147.11766	2.0
149.09625	0.7
149.13235	2.8
151.11252	1.7
151.14912	2.0
153.12752	1.4
157.12267	4.3
159.11702	2.7
161.06029	0.8
161.13353	1.9
163.14818	1.4
165.12828	1.9
167.14392	0.8
173.13374	1.7
175.07602	1.1
175.14883	0.9
177.05542	0.7
187.14911	1.2
212.93045	0.6
219.08078	0.8
263.23825	1.5
265.08685	0.9
289.25418	2.1
293.08206	1.4
295.26450	2.4
307.13489	0.7
307.23029	1.0
307.26312	7.0
325.07251	1.3
325.10800	3.1
325.14606	2.2
325.18146	0.9
325.27496	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2741
Annotation	Trixagotriol
Peak:m/z	Relative Intensity
53.03954	1.0
55.01884	0.9
55.05516	12.4
57.03434	1.4
57.07088	2.6
59.05003	1.9
67.05515	7.8
69.03430	1.7
69.07074	100.0
69.77687	0.5
71.04993	1.4
71.08639	0.8
71.51016	0.6
73.02926	0.7
73.06544	0.7
77.23684	0.5
79.05509	4.4
81.03417	0.6
81.07063	21.4
81.07533	1.2
83.04967	1.5
83.08631	4.6
85.06551	4.9
85.10229	0.6
91.05476	2.8
93.07057	9.0
93.07631	0.7
95.04976	1.5
95.08617	18.7
97.06550	4.0
97.10172	3.8
99.04470	0.5
99.08114	2.4
101.06009	3.1
103.05500	1.1
105.07041	4.3
105.97131	0.5
107.04990	0.7
107.08607	6.8
109.06553	1.1
109.10162	8.9
111.08104	3.0
111.11732	28.1
115.07619	0.5
117.07056	0.9
119.08597	4.1
121.10142	8.3
123.08102	0.8
123.11720	4.6
125.09634	1.2
127.11227	1.1
129.06976	0.6
129.12807	1.7
131.04967	1.7
131.08626	1.5
133.02899	0.8
133.10135	2.7
135.08084	1.0
135.11682	5.6
137.06029	1.7
137.09631	1.1
137.13284	1.7
139.11192	23.5
145.10202	1.4
147.08099	0.7
147.10617	0.5
147.11748	1.9
149.13283	3.3
151.07674	0.6
151.11206	1.5
151.14890	2.0
153.12877	1.1
153.96480	0.6
157.10234	0.6
157.12262	3.8
159.11757	2.2
161.13335	2.4
163.14940	0.8
165.12764	1.1
167.14374	1.1
173.13336	1.5
175.07582	1.5
175.14861	0.7
177.12941	0.6
177.16438	1.0
179.14316	0.8
189.16470	0.6
205.06467	0.7
209.09760	0.7
219.08052	0.7
222.06949	0.8
247.07663	0.7
250.06425	0.7
263.23880	1.1
265.08810	1.5
289.25433	1.3
293.08142	1.2
295.26361	2.8
307.09839	0.7
307.23004	1.0
307.26334	7.7
325.07190	1.1
325.10898	2.7
325.14584	1.7
325.21811	0.8
325.27380	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	325.165
Annotation	Eremofortin D
Peak:m/z	Relative Intensity
53.03960	8.6
53.77160	4.2
55.01865	15.5
55.05522	30.1
57.07076	6.0
59.04997	15.6
64.83072	4.5
67.05520	47.8
69.03424	21.4
69.07076	82.7
69.62868	9.0
69.63278	25.2
71.11063	4.1
72.17263	4.8
76.97274	5.1
79.05505	40.7
81.03407	9.2
81.07069	57.5
83.04993	36.9
83.08636	8.5
85.06548	11.0
85.66128	5.1
91.05489	80.4
93.07071	49.3
95.04971	31.5
95.08629	40.2
97.06550	14.3
97.10156	4.6
103.05454	12.2
105.07048	100.0
107.04955	23.8
107.08595	38.0
109.06514	24.9
109.10145	17.4
111.08080	10.2
111.09116	4.8
111.11745	12.1
113.06037	8.0
114.42099	5.0
115.05466	20.8
116.06218	4.8
117.07014	26.5
119.04909	12.0
119.08598	74.9
121.02872	6.0
121.06505	29.6
121.10149	24.4
123.04419	13.4
123.08125	22.7
125.05937	5.3
125.09670	5.9
128.06227	28.8
129.07005	21.9
130.07730	9.4
131.04916	20.5
131.08588	94.9
133.06487	14.6
133.10152	50.4
134.09676	6.5
135.08057	26.1
135.11671	10.5
137.05981	23.2
137.09618	12.1
139.11180	16.0
141.07011	18.8
142.07747	13.9
143.08589	51.1
144.05658	7.5
145.06479	22.6
145.10143	56.3
146.07275	10.0
147.08075	52.1
147.11708	17.7
149.05989	26.4
149.09633	78.3
151.07481	6.6
153.05589	5.3
155.08563	14.8
156.09389	6.2
157.06447	7.4
157.10210	22.6
158.07300	7.4
158.10918	7.6
159.08083	53.7
159.11693	17.8
161.06000	7.3
161.09630	65.8
161.13234	17.9
163.07555	13.2
163.11174	5.2
165.09114	17.2
165.12811	5.2
167.07141	8.5
167.08545	5.1
168.09337	16.0
171.08055	15.8
171.11699	19.9
173.09660	11.6
173.13315	36.8
175.07573	24.9
175.11189	9.3
177.09122	60.6
177.12643	6.3
181.10107	6.4
183.11673	22.3
186.10391	5.0
187.07594	7.7
189.09132	67.1
189.12749	45.1
191.14290	7.5
195.10213	6.0
196.08806	6.4
199.11200	39.2
201.12772	67.3
203.14288	5.1
207.10141	11.6
207.13774	23.1
209.08057	6.2
211.11147	13.7
217.12260	50.3
219.08061	7.8
219.13890	30.5
229.12247	39.3
235.07669	7.6
235.13261	18.0
237.09206	6.7
247.13338	54.0
250.06277	5.0
265.08661	15.5
265.14316	10.5
288.49426	6.0
293.08173	13.2
297.11139	7.6
307.22760	7.0
307.26288	10.1
325.07263	7.1
325.10718	25.4
325.14182	30.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1647
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	2.3
55.01862	4.5
55.05518	17.2
57.03442	2.0
57.07078	4.3
59.04997	4.8
67.05505	16.9
69.03412	4.9
69.07072	100.0
70.98744	3.2
71.04993	1.8
71.08660	2.0
75.60806	1.4
79.05495	10.2
79.98643	1.5
81.06595	2.5
81.07058	37.6
83.04997	9.8
83.08614	5.7
85.06535	6.1
88.19228	1.4
88.86146	1.4
90.03381	1.7
91.05489	20.8
93.07051	18.8
95.04960	5.1
95.08617	27.9
97.06531	8.4
97.10172	3.8
97.28700	1.7
99.08082	4.7
101.06004	2.8
103.05463	4.3
105.07036	31.1
107.04955	3.5
107.08598	11.2
109.06516	6.0
109.10149	15.7
111.08064	5.4
111.11726	22.9
115.05415	2.8
117.07017	8.6
119.04916	2.9
119.08585	27.5
121.06506	8.1
121.10176	9.0
123.04400	1.9
123.08073	4.7
123.11709	6.7
128.06238	11.2
129.07005	6.9
130.07785	3.7
131.04933	5.5
131.08580	22.6
133.06520	3.0
133.10146	15.6
135.08076	7.4
135.11688	4.6
137.05983	2.5
137.09552	3.8
137.13216	4.6
139.11195	18.6
141.07028	3.2
142.07773	2.5
143.08589	19.0
144.09372	2.6
145.06520	4.6
145.10139	25.3
146.07260	3.2
147.08049	17.5
147.11684	3.4
149.05978	5.9
149.09590	9.2
149.13278	1.9
151.11166	1.5
151.14801	3.1
153.06956	2.9
153.12723	3.5
155.08534	4.4
156.09285	2.0
157.06505	1.6
157.10115	5.7
157.12222	5.7
158.10947	1.9
159.08069	12.6
159.11627	5.6
161.09630	29.6
161.13254	3.7
163.07545	3.1
163.14796	2.0
165.09117	2.2
165.12761	2.9
167.07004	1.5
167.14383	4.2
168.09334	4.8
171.08070	5.0
171.11682	3.3
173.13268	11.3
175.07565	3.6
175.11140	2.4
175.14835	1.8
177.09097	11.3
177.12816	2.5
179.14420	2.4
183.11754	9.0
187.07474	1.9
189.09131	39.9
189.12740	8.7
197.79254	1.6
199.11189	7.2
201.12746	21.8
206.09363	1.7
207.10118	7.9
207.13812	5.8
211.11134	4.1
217.12274	9.4
219.13791	7.2
229.12228	16.8
235.13252	3.5
247.13257	13.9
265.14310	1.8
279.10092	1.6
289.25171	2.4
307.26324	23.0
325.07123	2.2
325.10852	3.4
325.27390	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	325.1399
Annotation	Tetradecyl iodide
Peak:m/z	Relative Intensity
53.03951	0.3
55.01866	0.6
55.05503	0.3
55.77588	0.3
56.96571	1.7
57.03439	1.5
58.31046	0.3
59.04986	0.5
60.95861	0.4
61.02938	1.1
65.03942	0.2
67.05490	0.2
68.00187	0.3
68.76846	0.2
69.03437	4.2
71.01356	3.3
71.04988	0.6
71.49736	0.4
73.02924	1.2
79.52833	0.2
81.03408	1.4
84.96031	0.8
85.02914	5.6
87.04479	1.4
91.03941	0.2
91.05473	0.6
97.02902	4.1
98.03225	0.2
98.97585	4.5
99.04462	0.6
101.00875	1.1
101.02401	0.4
101.99349	0.2
109.02843	0.7
110.97582	1.8
111.04439	0.3
113.00867	1.0
113.02361	1.0
115.02435	0.3
115.03915	0.5
116.98618	1.0
117.05750	0.5
118.06561	4.1
119.01868	0.6
123.04424	0.2
123.41438	0.2
125.02324	0.3
127.03934	1.5
128.98586	1.1
129.01860	0.7
131.01894	1.4
133.03438	0.3
133.07628	4.9
139.03996	0.2
143.00146	0.3
143.01939	0.6
145.07619	100.0
146.08423	2.1
147.09174	0.8
152.98708	0.2
155.01921	1.0
155.04674	1.0
155.54807	0.3
156.98053	0.3
157.03494	0.6
157.04915	0.3
158.99675	0.9
159.01369	0.8
161.02998	0.7
161.04576	0.3
163.05070	6.3
163.08678	60.2
164.05209	0.3
164.09027	0.5
164.55415	0.3
167.01991	0.3
169.03510	0.3
170.99728	0.5
171.01436	0.7
172.04825	0.4
173.02956	0.8
177.02467	0.2
179.02271	0.3
181.03600	0.3
182.03941	0.3
182.99672	0.3
183.01361	0.3
185.02972	0.6
187.00897	0.5
189.00664	0.3
195.01422	0.4
197.02992	0.6
199.00879	0.8
201.00729	0.6
201.02406	0.6
203.04080	0.4
209.02980	0.4
215.04187	0.3
217.02017	0.3
218.05069	0.3
219.01764	1.5
223.06772	0.4
237.02797	1.3
239.04201	0.5
245.05075	0.4
275.00705	0.3
277.01785	0.3
285.04477	0.3
297.04590	0.5
305.10785	0.3
315.05737	0.3
325.13953	71.8
326.14319	1.2
329.03824	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.1654
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67008	0.7
50.80420	0.8
55.05511	0.8
60.72106	0.8
61.02964	0.7
67.05499	1.3
69.03442	1.4
70.06594	1.0
70.42484	0.7
71.51885	1.3
72.08154	1.8
75.92748	0.8
79.05539	0.8
81.03410	1.7
85.02915	5.6
85.06550	100.0
91.05489	0.8
93.07050	0.9
95.08652	0.9
96.16831	0.7
97.02908	1.8
115.30707	0.7
127.03948	1.4
127.07558	5.2
128.92096	0.7
134.05978	1.1
145.04994	1.6
145.08611	49.6
147.09175	2.0
149.09587	0.9
152.88506	0.8
158.57516	0.9
162.05530	2.0
162.11270	0.9
164.07141	1.0
177.07259	0.8
180.08650	0.9
223.29555	0.9
257.55692	0.7
261.83185	0.7
282.11432	1.1
292.10349	0.9
293.08185	0.9
313.17087	0.8
324.16141	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1394
Annotation	Tetradecyl iodide
Peak:m/z	Relative Intensity
50.30373	0.5
53.03942	2.3
53.89713	0.5
55.01870	1.0
56.82751	0.6
57.03445	5.3
61.02947	2.8
67.05494	1.3
69.03090	0.7
69.03438	9.4
69.07066	0.8
69.34718	5.0
71.01365	1.3
71.04989	2.2
72.08154	0.9
73.02908	1.0
75.04463	1.0
77.63242	0.5
79.05492	1.4
80.19102	0.5
81.03410	2.0
81.07051	2.1
84.08120	0.9
85.02936	3.4
85.06538	0.7
87.04485	0.7
91.05473	2.5
93.07111	1.1
95.08607	1.0
97.02888	1.3
97.06555	0.9
98.21451	1.2
99.04486	3.3
101.83860	0.6
101.99768	0.6
103.05461	1.0
105.07030	1.6
107.08553	1.1
109.10159	0.7
111.08125	0.6
118.06561	1.8
119.04934	0.6
119.08577	1.6
120.08040	0.8
121.02815	0.8
121.10196	0.5
123.04428	0.9
123.08028	0.7
127.03977	0.6
129.07045	0.9
131.04976	0.6
131.08524	0.7
132.06863	1.8
133.02846	1.6
133.06476	0.6
137.06017	2.1
141.07043	0.6
141.66676	0.7
143.08644	0.6
145.04980	0.7
145.06578	0.9
145.07613	9.6
146.08414	0.6
147.09183	93.1
151.07512	0.7
156.90097	0.5
159.04524	0.6
159.09229	3.8
161.09612	0.8
163.07507	1.0
173.07191	2.1
173.10837	0.8
175.07494	0.9
185.10817	1.2
187.08836	0.8
191.08174	100.0
192.08586	1.2
193.08357	0.8
201.05460	2.0
205.06535	1.1
213.10405	1.0
219.11311	0.9
233.08034	0.8
234.06705	0.8
234.38312	0.6
237.09171	0.8
250.06323	0.9
263.13965	3.1
265.08679	1.3
281.14990	49.0
289.11716	0.8
292.07291	1.0
293.08041	1.5
307.09637	1.3
307.12903	9.4
325.10840	4.7
325.13971	79.0
326.14218	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.1079
Annotation	I3CO2Glc
Peak:m/z	Relative Intensity
53.03935	0.3
54.75891	0.1
57.03432	0.3
58.99574	0.2
61.02926	0.2
67.05473	0.2
69.03432	1.2
69.33901	1.3
70.06596	0.3
71.04972	0.3
72.08131	0.2
72.71685	0.2
73.02942	0.2
74.06063	0.2
79.05495	0.3
81.03416	0.6
84.04504	0.2
84.08125	0.6
85.02438	0.2
85.02908	2.5
85.06527	0.4
86.09718	0.2
87.04493	0.2
87.10087	0.2
89.03920	0.3
91.05513	0.2
92.82922	0.2
94.07368	0.2
97.02908	1.0
99.04474	1.3
99.08109	0.2
103.78590	0.1
104.51161	0.1
105.07002	0.2
106.06534	0.5
109.06538	0.2
110.07179	0.2
116.04995	1.3
120.08093	1.0
124.07559	0.2
125.57716	0.2
127.03934	0.4
127.07542	0.5
130.06522	0.2
134.06013	0.5
136.07593	0.9
137.07884	0.5
138.66759	0.2
140.04253	0.2
144.04497	0.3
145.05013	0.3
145.08563	0.2
147.04529	0.2
157.03180	0.2
161.18355	0.2
162.05510	100.0
163.03870	0.2
163.05853	1.4
164.07028	0.3
165.05396	0.2
165.07471	0.4
166.08623	0.2
175.04085	0.2
185.02679	0.3
192.06606	0.2
203.03763	2.4
242.13727	0.2
247.92754	0.2
260.14777	0.3
269.67245	0.2
270.04706	0.2
270.13168	0.3
276.08960	0.2
288.14307	0.5
306.15253	0.6
324.10681	1.8
324.14548	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2585
Annotation	12S-HETrE
Peak:m/z	Relative Intensity
53.03951	2.4
55.01870	1.5
55.05518	45.1
57.03439	2.1
57.07074	2.4
58.06615	0.7
58.20716	0.6
59.05022	1.0
67.05511	9.0
69.03429	1.8
69.07079	21.7
69.36594	4.0
69.37009	1.7
71.05006	1.6
79.05518	6.1
81.07066	29.1
83.04984	2.8
83.08635	5.7
85.06546	5.5
91.05482	3.0
93.07055	12.6
95.04964	1.8
95.08618	23.1
97.06535	3.1
97.10181	100.0
98.10523	1.2
99.08123	1.6
101.06059	0.7
103.05496	1.8
105.07036	5.7
107.08616	12.8
109.06533	2.4
109.10174	12.6
111.08102	10.6
111.11742	2.7
113.09680	0.7
119.08568	4.1
120.73854	0.6
121.10147	10.1
123.08147	1.5
123.11718	14.2
125.09650	18.4
127.09658	0.8
129.06984	0.6
131.04945	3.6
131.08638	1.7
133.10100	3.4
135.11699	4.7
137.06032	1.0
137.09650	2.6
137.13263	4.3
139.11209	5.9
143.10693	42.4
145.10138	2.0
147.11725	2.8
149.13281	9.1
151.11218	1.8
153.12791	1.5
157.12250	2.6
159.11720	1.0
161.06006	0.9
161.09628	0.6
161.13292	2.2
163.14828	4.3
163.16124	0.6
165.09131	0.7
165.12875	0.9
167.14331	1.4
171.10231	5.9
171.11653	1.2
173.13263	1.3
174.96935	1.1
175.14891	1.7
177.16368	0.8
179.14362	3.0
180.65999	0.6
183.13733	0.9
185.13408	0.8
189.11232	4.8
189.16438	2.3
203.08527	1.0
207.17459	0.9
230.21065	0.9
231.17641	0.9
231.21544	1.5
235.16933	1.1
277.25330	1.2
287.23740	1.1
291.10300	1.4
305.24820	12.6
317.03461	0.7
323.12915	2.0
323.25983	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	323.2584
Annotation	12S-HETrE
Peak:m/z	Relative Intensity
50.77427	0.5
53.03939	1.5
55.01876	2.7
55.05516	47.1
57.03433	1.7
57.07072	2.1
59.05018	0.7
67.05512	8.4
69.03424	2.2
69.07075	21.9
70.74487	1.6
71.04996	1.4
71.08633	0.6
73.06541	0.6
79.05503	5.4
81.03450	0.6
81.07065	21.7
83.04976	2.7
83.08631	5.3
85.02921	1.0
85.06557	3.5
87.08108	1.1
91.05482	4.2
93.07063	9.2
95.04987	1.8
95.08619	17.9
97.06529	3.3
97.10179	100.0
99.04474	0.8
99.08073	1.1
103.05447	4.4
105.07042	6.5
107.08610	11.6
109.06538	2.1
109.10172	11.5
110.10503	0.6
110.42039	0.5
111.04465	1.5
111.08097	3.5
111.11743	1.7
115.05502	0.6
117.07032	1.1
119.04992	0.9
119.08578	5.4
121.10144	8.2
122.03574	0.8
123.08068	1.4
123.11723	8.8
125.09643	16.2
128.06183	0.5
129.07028	1.2
131.04942	8.8
131.08594	2.4
132.05336	0.7
133.05594	0.7
133.06537	0.9
133.10156	3.4
135.04536	0.6
135.08104	1.0
135.11729	4.5
137.05969	6.7
137.09636	1.8
137.13271	4.5
139.07568	0.6
139.11143	2.7
142.07742	0.5
143.08530	1.6
143.10687	36.3
145.10135	2.4
146.03693	1.0
147.04434	2.8
147.11717	3.3
149.06003	1.5
149.13254	5.3
151.11234	1.7
151.14778	0.7
153.09109	0.8
153.12761	1.4
157.10188	1.1
157.12321	0.8
159.08076	1.1
159.11722	1.9
161.05998	5.2
161.09618	0.6
161.13298	2.2
163.11212	0.8
163.14809	4.5
165.12721	0.9
167.10745	0.7
171.10188	4.3
171.11534	0.8
173.13290	2.5
175.14833	1.7
177.16554	0.8
179.14325	2.2
181.12314	1.4
189.11227	6.3
189.16446	1.4
191.08655	0.8
199.07507	2.6
199.14909	0.7
202.07841	1.5
203.08630	3.1
207.08165	0.6
209.15431	0.9
219.08110	1.2
219.13805	0.8
220.08916	1.2
231.08049	4.1
235.16974	0.9
248.08411	2.7
259.07651	1.9
260.08292	0.6
263.10684	2.2
268.45081	0.6
269.22653	0.7
276.07834	1.6
277.08521	1.5
277.25336	0.7
287.23813	1.5
291.10178	4.8
292.10864	1.0
305.24728	9.6
323.09186	1.2
323.12363	4.6
323.25851	11.7
323.29492	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2584
Annotation	12S-HETrE
Peak:m/z	Relative Intensity
53.03949	2.4
55.01871	9.0
55.05515	49.0
57.03436	2.3
57.07075	4.6
59.04981	1.7
65.03933	1.7
65.52306	0.9
67.05510	17.6
69.03424	4.5
69.07072	27.0
69.38748	8.4
71.04990	2.9
79.05491	12.5
81.07062	53.2
83.04997	2.7
83.08628	6.5
83.09045	1.1
85.06549	19.8
91.05487	9.0
93.07048	25.5
94.95145	1.0
95.04974	2.9
95.07997	1.1
95.08614	44.1
97.06557	7.6
97.10177	100.0
97.72910	1.0
99.08092	4.8
101.06010	1.6
103.05473	1.9
105.04558	1.4
105.07036	17.5
107.08608	25.4
109.06539	2.8
109.10165	27.1
111.08090	38.1
111.11729	3.0
117.07015	2.5
119.08587	17.2
121.10150	15.8
123.08082	2.3
123.10274	1.1
123.11720	21.2
125.09643	23.7
131.04919	4.7
131.08522	7.9
133.10136	9.9
135.11700	11.0
137.05917	1.3
137.09625	2.3
137.13283	5.7
139.11172	7.3
143.08530	2.0
143.10683	35.3
144.09328	1.1
145.10110	8.0
147.04443	1.2
147.11700	14.0
149.09642	1.8
149.13272	19.3
151.11208	3.7
151.14778	1.6
153.12762	3.1
157.10165	1.7
157.12250	2.5
158.10925	2.0
159.08171	1.7
159.11711	3.5
161.05962	1.6
161.13307	4.7
163.07513	1.3
163.11192	1.6
163.14824	6.3
165.12764	2.4
167.14328	3.3
168.09387	1.4
169.12215	1.1
171.10152	3.6
171.11597	2.0
173.09644	1.1
173.13275	12.3
175.14851	2.2
177.12755	1.4
177.16466	1.5
179.14374	3.7
189.11266	4.7
189.16380	2.8
197.15421	2.6
201.12733	8.3
207.17496	2.3
219.13754	5.9
235.16960	1.4
277.25476	1.6
283.86533	1.1
287.23724	2.0
291.10202	1.8
305.17358	1.2
305.24789	18.9
323.12463	1.7
323.25833	25.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2222
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	18.0
55.05510	16.8
67.05513	100.0
69.07066	33.4
71.05017	11.4
71.51174	12.1
71.68002	9.0
79.05489	29.0
81.07064	93.8
83.08636	20.0
91.05492	51.0
93.07047	40.4
95.04964	10.3
95.08622	57.6
105.07014	42.0
107.08610	44.6
109.06532	15.6
109.10168	90.6
111.89160	9.4
115.05455	10.0
119.08608	12.4
121.10130	12.9
123.11693	16.0
131.08563	11.0
133.10139	69.3
151.11206	55.7
165.05540	8.4
169.12302	15.3
264.88400	9.1
273.18408	12.2
291.09961	11.1
291.19342	22.0
323.12842	12.1
323.25922	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	323.2219
Annotation	Rapanone
Peak:m/z	Relative Intensity
54.27464	11.1
55.05504	52.2
57.03446	53.8
57.07080	11.9
62.06103	26.3
64.62867	13.8
65.03928	12.7
67.05507	100.0
69.07081	53.3
71.04998	20.1
71.51601	16.2
73.06573	15.2
79.05510	74.7
81.07057	73.8
83.05011	16.3
83.08648	15.7
85.06522	14.5
91.05493	74.9
91.56853	10.2
92.55099	11.0
93.07064	65.9
95.04985	31.9
95.08605	61.6
105.07043	58.6
107.04928	13.7
107.08611	55.5
109.06512	67.9
109.10203	31.5
110.85054	11.6
115.05453	12.9
115.85110	12.0
117.07019	32.3
119.08581	42.0
121.10165	43.5
123.08093	12.1
123.11759	14.3
129.06992	19.5
131.08585	34.2
133.10149	28.1
135.08046	47.3
143.08571	16.3
145.10150	34.8
147.08070	18.7
149.09636	24.2
157.10138	23.0
161.09616	22.5
163.11150	15.1
185.16393	11.1
211.52956	11.1
217.15938	34.4
225.86290	11.9
243.82538	11.0
261.92941	13.5
263.10544	11.8
273.18506	56.1
291.19437	69.4
305.21185	19.3
323.12524	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	323.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46881	1.8
55.01874	3.0
62.87824	2.0
67.05515	3.1
69.03438	3.6
69.96825	9.6
70.06591	6.6
72.08170	2.4
75.67600	2.0
79.05498	7.1
83.05009	2.0
84.08150	15.5
85.02931	3.0
86.09702	2.6
91.05494	4.2
94.06571	4.2
95.04994	5.2
97.02892	5.4
99.04461	5.5
102.53964	1.8
103.05482	2.0
104.04890	1.8
107.04967	3.0
108.04472	2.4
108.08121	18.0
108.61897	2.1
109.02924	2.4
110.06027	7.6
116.04944	2.1
118.06569	4.0
119.04987	2.6
119.07336	5.0
120.08106	10.1
121.10157	3.1
122.06097	3.0
123.04441	3.7
123.05544	2.0
123.06817	1.9
124.07576	11.1
127.03951	3.0
129.06989	1.9
132.02098	2.1
133.44229	2.2
136.06534	4.8
136.07585	100.0
137.05949	2.5
139.02963	2.3
139.03900	11.9
140.03447	2.8
141.21400	2.0
142.08646	11.0
146.06024	7.1
146.08488	1.8
147.04425	5.3
148.07610	4.7
151.03906	3.7
152.07066	3.8
154.05029	3.8
154.08629	3.2
161.07117	2.4
162.05525	76.3
163.03894	3.2
164.07080	38.5
173.10754	5.3
181.04993	2.5
181.08849	3.6
184.09932	2.1
196.11281	3.3
197.10742	2.1
198.11449	3.0
201.10257	4.6
203.03729	3.9
211.08714	2.0
213.10263	8.0
213.13988	2.8
215.11821	2.2
224.10738	2.4
225.10289	4.7
226.10994	7.6
240.12491	3.2
241.09752	6.8
241.13367	24.4
254.10577	3.6
259.06046	2.5
259.14401	29.7
259.16760	2.9
262.11060	2.7
269.04514	4.1
269.12894	38.8
277.15414	2.1
287.05646	9.2
287.13913	39.6
291.09827	4.6
305.11755	3.3
305.14981	67.8
323.12372	8.9
323.16217	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	323.128
Annotation	4''-Deoxyterphenyllin
Peak:m/z	Relative Intensity
55.01856	1.0
59.13174	0.6
68.12436	0.6
69.63568	4.2
70.04642	0.5
70.81876	0.6
79.05455	2.0
81.07045	1.3
91.05447	2.2
94.04150	2.0
95.08636	0.8
95.37656	0.6
98.78642	0.6
103.05478	2.9
105.06410	1.0
105.07040	12.3
107.04927	0.9
109.06480	2.0
115.05487	4.8
118.04122	1.1
122.03602	1.9
128.06197	2.3
131.04901	1.9
133.06503	7.3
137.05992	28.0
137.09541	0.7
139.05345	1.0
143.05006	0.7
143.06049	1.0
145.06505	0.7
146.03630	6.3
147.04401	1.3
156.05676	0.7
161.05997	68.3
165.06975	1.0
167.04898	1.1
168.05737	0.8
169.06491	0.9
171.08012	1.4
175.07558	1.8
177.05467	0.8
177.06865	0.8
181.10260	0.6
184.05261	1.4
185.05891	0.7
189.07001	0.9
190.07776	1.3
191.08540	5.3
192.09363	3.4
199.07553	11.4
202.07788	23.8
203.08578	32.1
204.09276	2.1
205.06541	3.0
205.10161	0.9
207.08047	1.2
213.07014	0.9
215.08618	1.2
218.07344	1.1
219.08060	11.1
220.08847	11.3
221.09631	1.1
222.06760	1.0
229.06567	0.7
230.07227	4.3
231.08075	49.6
232.08853	9.6
233.05954	1.8
233.09511	1.5
234.06792	1.0
234.10391	0.7
235.07631	0.8
235.11183	2.1
237.09357	1.5
245.05804	0.7
245.09593	2.2
247.07556	9.5
248.08360	28.5
249.09039	2.7
258.06744	4.0
259.07559	39.8
260.08322	26.2
261.09067	2.1
262.09894	2.7
263.10678	21.3
265.08624	2.2
273.09109	1.2
275.07047	4.8
276.07825	19.9
277.08591	6.1
280.11008	0.7
290.09341	1.2
291.10175	100.0
292.10831	7.8
293.07968	4.3
295.13327	2.5
307.09744	0.7
308.10461	4.5
323.12805	54.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.128
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05503	1.9
70.02377	1.6
71.12568	3.6
79.05496	3.5
81.07050	4.8
85.02908	2.1
91.05457	2.6
92.63206	1.4
93.07057	2.0
95.04938	1.9
97.02843	1.7
103.05489	3.4
105.07021	13.0
107.08576	3.9
109.06540	2.5
109.81789	1.7
115.05469	4.5
133.06543	7.8
137.06001	14.8
146.03639	4.4
153.34300	1.7
161.05983	56.5
168.03380	1.8
189.07162	2.0
191.08603	4.9
192.09381	3.6
199.07582	5.4
202.07799	20.4
203.08548	33.5
204.09299	2.1
205.06473	3.6
215.08618	1.6
219.08067	11.9
220.08792	11.5
230.07300	3.4
231.08072	47.0
232.08772	8.6
235.11002	2.0
247.07539	7.8
248.08353	21.1
258.06857	3.5
259.07559	34.4
260.08347	21.2
262.10083	2.1
263.10712	23.5
265.04288	1.6
265.08490	1.9
275.07083	5.0
276.07837	19.2
277.08563	3.7
291.10168	100.0
292.10815	4.0
293.07993	3.8
295.13339	2.0
308.10303	2.6
323.12802	49.0
323.27469	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.0828
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52623	1.5
53.37762	1.5
55.05504	1.6
56.96573	12.9
57.03434	2.9
61.02915	3.3
68.98296	2.1
69.03434	11.4
70.98117	2.2
71.01335	2.0
71.50584	2.1
73.02905	3.6
81.03426	4.1
82.99852	6.5
84.08160	2.5
84.96017	1.9
85.02916	15.5
87.04462	3.4
97.02897	10.1
98.97596	35.4
99.04452	1.9
100.99111	2.3
101.00890	44.4
102.00986	2.4
103.00607	4.9
105.02127	1.5
109.02860	1.6
110.97574	5.8
112.99140	4.2
113.00851	3.0
115.02472	7.8
116.98638	9.2
117.02206	2.5
119.01924	39.2
121.01685	3.6
127.02433	3.3
127.03918	5.3
128.98622	4.7
129.03960	2.3
131.00183	3.5
131.01891	6.4
133.01692	2.1
133.03464	8.0
135.03249	3.0
136.07581	2.4
139.02415	6.5
139.03922	1.9
140.01431	1.7
143.00201	2.1
143.01884	6.6
145.01663	3.6
145.03477	5.1
145.04955	2.7
146.05981	3.0
147.05104	2.2
154.03830	2.2
155.01846	2.5
157.03488	48.9
158.99625	5.0
159.03214	2.4
159.05077	1.8
160.09691	2.5
161.01135	3.2
161.02983	4.5
161.04474	1.8
161.05713	2.9
161.10049	4.5
163.04446	4.9
167.03940	1.6
168.02859	1.9
169.03432	8.8
173.01257	2.6
173.02933	4.5
173.04611	1.8
174.99243	2.2
175.02962	2.5
175.04530	18.4
177.00697	3.5
177.04333	2.2
179.02237	3.2
181.05513	1.7
187.04611	1.6
188.97182	1.8
191.02324	2.5
191.04060	1.8
197.03088	1.7
201.00691	2.1
201.02444	1.9
201.05956	2.1
205.03902	2.1
205.05609	11.2
213.04442	14.0
213.54556	2.3
219.01794	6.5
220.03955	1.4
221.03296	2.9
223.06647	100.0
225.06401	4.5
233.07030	2.0
237.02809	5.0
239.04329	2.9
241.07747	9.6
261.02896	1.5
265.07568	4.8
267.03879	1.6
268.51175	1.5
279.09399	8.2
281.05518	3.2
291.05603	4.0
298.97092	1.5
305.07034	7.0
321.10327	4.4
323.07556	12.8
323.10931	5.0
341.07474	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.0744
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73063	4.4
59.05302	4.6
70.67061	7.0
70.67386	5.9
94.55172	4.4
98.97593	31.4
101.00893	21.5
105.63694	4.7
119.01933	11.8
123.90353	4.7
127.54124	5.7
143.01926	12.8
157.03482	25.4
161.02910	6.1
173.02925	6.3
175.04654	7.0
179.02284	7.8
183.16669	4.9
189.01180	4.2
196.66440	4.8
203.04169	4.5
203.23250	5.6
211.59851	6.4
219.01733	7.2
223.06654	29.8
323.07455	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.0828
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88136	0.8
55.01875	1.5
55.05486	0.9
56.96563	11.6
57.03436	2.1
58.99846	1.3
60.14510	0.8
61.02920	1.3
62.89162	0.9
68.12394	0.8
69.03433	8.0
69.98312	4.4
70.98091	2.5
70.99832	1.0
71.01347	1.5
71.04967	1.3
73.02896	2.7
77.37047	0.8
81.03380	2.9
82.66792	0.8
82.99839	5.5
84.08107	1.0
84.96046	1.9
85.02914	10.3
87.04464	2.0
90.02121	1.0
92.61436	0.8
97.01396	1.2
97.02901	6.4
98.97592	36.9
99.04450	1.7
100.99100	1.4
101.00888	47.0
102.00978	1.1
103.00639	4.1
103.02477	1.0
103.36691	0.9
105.57847	1.0
109.02892	1.3
110.97582	6.1
112.99153	5.3
113.00873	4.1
114.96944	1.2
115.00652	1.1
115.02450	7.1
115.79099	0.7
116.00546	1.5
116.98632	7.6
117.02116	2.8
119.01929	36.4
121.01616	2.8
124.02671	0.9
124.99132	1.3
125.01009	1.3
127.02392	2.0
127.03881	2.5
128.98621	4.8
129.03951	2.4
130.12169	0.8
131.00131	3.0
131.01077	1.0
131.01880	6.3
132.98047	2.0
133.01657	2.0
133.03468	7.2
134.99609	1.1
135.03239	1.4
137.03008	1.3
139.02393	6.1
140.01494	1.2
140.98549	1.1
143.00136	1.4
143.01915	9.5
144.98036	1.2
145.01637	2.7
145.03438	5.7
145.04924	1.7
146.99577	1.2
147.03125	1.6
149.02977	1.1
150.99115	1.5
152.98529	1.1
154.03871	1.0
155.01860	3.1
157.03482	43.6
158.99649	8.3
159.03242	2.1
160.09625	1.5
161.01086	2.1
161.03096	5.1
161.04327	1.2
161.05501	2.9
161.09982	1.4
163.02707	1.7
163.04465	5.6
167.06990	0.9
168.02838	2.4
169.03386	7.2
170.96046	1.1
170.99599	3.5
172.97432	1.0
173.01306	1.6
173.02931	3.0
173.04721	1.6
174.99110	2.5
175.02980	1.1
175.04535	23.4
177.00667	2.9
177.04211	2.3
179.02203	3.7
181.05487	2.4
183.05080	1.1
184.97520	1.0
185.02910	1.7
185.04626	0.9
186.04564	1.2
187.04457	3.3
188.97060	1.2
189.00764	1.9
191.02304	1.6
191.03963	1.1
193.00201	4.1
193.03687	0.9
197.03142	1.4
201.00664	2.2
201.02431	1.6
202.98616	1.7
203.02135	1.9
203.03955	1.8
205.03870	0.9
205.05586	9.7
206.30952	0.8
213.02545	1.4
213.04457	16.0
213.54546	2.5
214.04330	0.9
218.89638	0.9
219.01772	9.6
220.99619	3.0
221.03230	3.1
221.06871	1.7
223.06651	100.0
224.06812	2.0
225.06500	1.4
230.98007	2.6
233.05034	2.4
233.06973	2.5
237.02759	5.8
239.00529	1.3
239.04373	3.3
241.07709	9.2
242.07608	1.1
245.05084	1.5
246.08134	1.5
249.02693	1.2
261.02875	1.2
263.00873	4.0
263.04166	4.3
263.07925	3.6
265.07489	1.1
279.09360	5.2
281.02130	1.5
281.05331	9.8
281.08990	4.2
291.05505	2.9
299.02640	1.0
305.07263	13.2
305.10571	1.2
321.10419	1.0
323.08096	36.1
341.07532	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.1439
Annotation	CHEBI:69242
Peak:m/z	Relative Intensity
64.83802	0.8
67.05479	1.3
70.02968	5.9
70.06580	0.9
71.01349	0.9
71.50809	1.4
72.04518	14.9
80.44702	0.8
81.07015	1.1
88.03963	3.1
91.05487	17.6
95.04982	1.1
105.03386	3.3
119.08549	1.2
123.09546	1.0
124.03977	2.5
129.07010	73.7
130.07314	1.4
143.84869	0.8
148.07571	2.9
155.04893	1.3
172.07574	1.1
179.08549	1.7
185.08354	2.6
190.07759	4.6
191.08675	1.4
202.07721	1.0
203.08565	7.5
204.09308	4.4
205.10139	43.1
215.08572	17.0
217.10158	1.9
232.11235	1.7
233.09576	3.4
260.10812	3.4
276.13873	11.8
304.13330	100.0
322.14374	36.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.2741
Annotation	alpha-Linolenoyl Ethanolamide
Peak:m/z	Relative Intensity
53.23142	1.3
55.05502	4.9
57.07081	1.2
59.23195	1.2
62.06091	100.0
67.05190	1.2
67.05510	17.9
69.07054	3.2
69.45171	4.9
69.45583	3.0
79.05492	7.9
81.07056	15.5
83.08607	1.8
91.05479	3.1
93.07036	12.2
95.08618	15.0
98.06087	1.3
105.07036	3.1
107.08604	5.7
109.10148	6.0
117.07025	1.3
119.08567	3.2
121.10136	5.9
123.11689	1.9
131.08551	1.5
133.10144	2.8
135.11691	4.8
137.13268	1.4
145.10129	2.1
147.11703	1.4
149.13264	2.8
161.13254	1.7
163.14848	1.8
173.13287	1.7
173.35834	1.2
177.16472	1.5
186.14925	1.1
243.21111	2.9
261.19482	1.1
261.22195	5.0
304.26321	3.5
305.24771	2.8
322.27332	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	322.1439
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00309	0.6
55.05518	0.4
67.50125	0.3
68.05027	3.6
69.03435	6.5
69.84671	0.6
69.85085	1.4
70.02956	0.8
70.08788	0.3
77.08720	0.3
78.03455	0.4
80.01382	1.5
81.07054	0.6
91.05462	1.0
96.03909	0.7
96.04500	11.3
97.02896	1.0
98.02427	0.6
98.20855	0.4
122.03748	0.3
123.11692	0.5
124.03964	100.0
125.04315	0.5
129.07045	1.0
131.04933	0.5
137.05994	5.1
142.05011	43.3
142.89828	0.3
143.05322	0.4
166.25977	0.4
181.10146	1.3
203.08546	0.4
205.10182	0.5
215.08626	1.2
233.09549	0.5
259.15204	0.3
277.43216	0.4
304.13217	0.8
322.14484	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.144
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	0.9
56.96563	1.2
62.06089	1.4
69.03415	1.0
69.07056	0.9
70.02967	5.6
71.01335	1.7
71.51005	1.1
71.51398	1.1
72.04524	18.4
73.00188	0.8
81.07033	1.3
84.96027	0.9
88.03987	2.9
91.04907	1.1
91.05486	19.3
91.29491	0.9
93.07081	1.0
95.08645	1.3
97.02906	1.2
97.18793	0.8
98.97597	0.9
103.05476	0.9
105.03391	2.1
105.07087	1.7
109.10182	0.9
110.70683	0.8
110.97633	1.3
123.11755	1.3
124.03986	4.3
128.06250	2.3
129.07011	82.3
148.07635	1.9
161.05956	2.1
172.07607	1.0
178.07678	0.9
179.08447	1.1
185.08426	3.6
190.07776	5.2
191.08612	1.9
202.07863	3.2
203.08604	8.3
204.07809	1.1
204.09360	5.3
205.10143	49.0
215.08569	22.1
217.10274	1.3
231.08054	3.7
232.11320	1.4
233.09665	3.4
248.08441	1.2
255.05217	1.0
260.08383	1.0
260.10812	2.5
263.10574	1.1
276.13858	13.1
291.10181	5.5
304.13345	100.0
305.13626	1.9
322.14438	35.0
323.13000	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	322.1288
Annotation	dehydrohistidyltryptophyldiketopiperazine
Peak:m/z	Relative Intensity
53.03942	1.5
55.01871	1.2
55.06853	0.5
56.96576	0.9
57.03447	3.3
58.06615	0.6
59.05014	1.2
60.04526	0.6
61.02938	4.1
65.03967	0.7
67.05505	0.9
69.03436	14.9
69.07067	1.2
69.75668	2.0
70.06596	4.5
70.99594	1.5
71.01361	1.6
71.04995	2.0
72.08160	1.0
73.01125	3.1
73.02923	3.9
79.05505	0.9
81.03426	5.2
83.01343	1.1
83.04998	0.6
84.08163	1.4
85.02914	17.7
86.06075	0.7
87.04487	3.4
87.53075	0.6
91.03959	1.3
91.05475	0.7
95.01296	0.5
97.02898	9.8
98.00645	2.5
98.97582	1.0
99.04456	2.0
101.00612	1.7
101.02399	1.3
103.03952	0.8
109.02859	2.4
109.06545	0.5
111.04410	1.0
112.07555	0.6
113.02354	0.8
115.03938	2.1
115.05479	5.1
115.07623	0.8
116.01669	0.9
116.07103	0.9
117.05805	0.8
117.07012	0.9
118.06594	0.9
120.08123	1.8
120.13172	0.6
123.04446	0.7
124.02189	2.2
125.05989	0.6
127.03918	2.7
129.00073	36.5
130.06529	5.2
131.07254	0.7
132.08107	9.5
139.03894	0.9
142.03223	7.7
142.06537	31.0
142.08673	1.9
143.03403	1.7
143.07306	11.7
144.08105	18.2
145.04984	1.3
145.06505	1.2
146.06010	0.7
155.06053	1.2
158.06036	4.9
159.06821	2.6
160.04341	7.4
160.07593	95.9
160.09724	3.8
161.07999	1.0
172.07558	1.1
173.02628	0.5
201.02196	14.8
202.08690	1.3
230.13789	0.9
255.05077	6.3
272.07657	0.9
286.12833	0.7
290.08606	0.8
304.13864	1.5
322.12842	100.0
323.13153	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.9932
Annotation	Unknow
Peak:m/z	Relative Intensity
55.70015	0.4
56.96571	2.8
69.94852	0.7
69.95246	0.9
94.84373	0.3
98.10826	0.4
98.20841	0.5
98.96960	0.7
98.97593	12.3
101.00877	1.1
107.34096	0.4
113.99803	0.4
116.98642	4.5
119.01952	1.7
131.32382	0.4
134.99669	1.1
137.93646	0.3
140.98830	1.1
158.99889	2.3
177.00964	9.7
182.99849	3.0
185.98592	0.5
196.90913	0.8
201.00937	11.3
202.01039	0.4
207.93202	0.4
214.91948	0.7
216.98714	0.7
218.98534	3.3
219.02023	100.0
220.02162	3.7
220.94630	0.4
221.02342	0.4
234.05182	0.4
234.99846	0.8
236.99500	2.8
238.92117	0.4
238.95580	3.3
242.03656	4.5
242.19415	0.4
242.98291	0.4
254.93494	0.5
256.93317	3.0
256.96609	7.3
257.96649	0.5
260.00018	0.4
262.95657	0.5
272.94568	0.5
274.94186	3.4
274.97662	1.0
279.98282	0.9
280.96756	1.8
292.94989	0.7
298.97690	38.2
299.97842	1.4
300.97934	0.4
304.91971	0.4
307.46408	0.5
308.90820	0.5
316.41937	0.6
316.91696	0.6
316.95251	1.2
316.98837	0.6
319.43680	0.9
321.99387	2.7
322.99377	0.5
325.42313	1.0
325.92255	2.1
328.44196	1.1
334.93143	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.0961
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.0
55.01853	1.0
56.96569	1.3
57.03424	3.6
59.04994	1.1
60.04501	1.2
61.02910	4.4
67.01382	0.9
67.05499	2.5
69.03433	15.7
69.07066	1.7
70.06608	7.4
70.99579	18.6
71.01357	2.2
71.04992	3.0
72.08154	1.3
73.02909	2.0
79.05493	3.0
81.03415	6.0
81.07079	1.1
83.04996	1.3
84.04523	1.0
84.08150	2.2
85.02914	27.6
86.06096	1.6
87.04469	2.6
92.26105	0.8
93.07013	1.3
95.04984	1.0
96.04459	1.6
97.02907	17.3
98.00647	22.5
98.97591	4.3
99.04456	3.3
100.02172	1.6
101.02361	1.1
101.06036	1.2
103.05460	1.0
105.03335	0.9
109.02889	2.5
111.04459	1.1
113.02357	2.2
115.03939	4.2
116.01712	5.7
116.07082	1.4
120.08119	3.8
122.06013	1.1
123.04438	1.1
123.05548	1.6
124.02192	42.8
125.05996	1.7
127.03933	5.7
128.98595	1.5
129.00105	6.3
130.05017	1.2
136.07567	1.6
137.05978	2.4
139.03899	1.3
142.03233	100.0
142.08687	1.3
143.03430	4.4
143.07066	1.3
145.04947	5.0
146.05939	1.4
158.08131	1.1
160.04292	86.4
160.07603	6.5
160.09712	2.7
161.04610	1.3
174.99138	1.1
182.99608	1.8
199.11035	1.3
201.02232	2.5
218.06561	1.3
219.01804	1.8
227.05554	1.3
227.10550	1.3
230.13734	1.9
255.05028	16.1
258.13303	2.3
267.14697	1.1
272.08084	1.2
304.13953	4.9
322.09174	1.2
322.14621	8.1
322.18707	2.4
328.00955	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1159
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74293	0.4
56.96543	0.5
67.81464	0.4
69.03414	0.6
69.94852	1.8
70.99848	0.5
81.06024	0.3
82.99838	1.3
84.81232	0.4
85.01405	2.6
85.02882	0.9
97.01403	1.0
98.20757	0.7
98.97583	2.1
101.00889	5.6
103.02454	4.5
111.02925	0.7
111.05557	1.4
113.00864	3.4
115.02429	7.7
116.98606	0.7
117.04019	0.6
119.01920	3.3
120.02625	0.6
121.03452	0.6
123.05535	0.8
127.02404	2.2
129.03117	0.5
129.03993	4.1
130.09923	0.4
131.01926	3.2
133.02576	0.5
133.03479	7.5
137.00827	0.8
141.03975	1.6
141.06577	1.5
143.01904	2.9
145.03456	2.6
147.05037	3.7
148.16687	0.4
151.04503	0.5
153.03938	1.0
155.01895	5.4
156.02681	0.5
157.03479	3.3
159.05045	5.5
159.06281	0.7
159.07570	1.8
161.02916	1.5
169.03497	1.1
171.05040	4.4
173.02943	2.9
175.04564	0.9
177.06094	8.5
179.01907	0.7
183.05046	3.0
185.02940	1.3
185.06540	1.3
187.04504	0.6
189.06165	1.0
193.03555	0.5
195.05363	0.7
195.07121	2.8
195.49246	0.4
197.03026	0.5
197.06569	0.7
199.04411	0.4
201.00711	0.4
201.06123	2.4
203.04016	3.7
205.05704	0.6
207.04976	0.7
213.06039	0.9
219.07155	14.4
220.07442	0.4
221.05110	5.0
223.06728	0.6
225.06133	1.2
230.07106	0.4
231.07149	14.3
233.08739	2.4
239.04385	0.5
244.07848	0.7
245.05099	5.5
245.08942	0.8
247.06543	0.6
255.07106	3.7
259.06558	0.6
261.08279	3.4
263.09943	0.5
273.08194	3.1
279.09256	2.2
321.11426	100.0
322.10638	2.1
339.11319	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1083
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76112	0.3
55.01874	0.4
55.05499	0.8
57.03426	0.3
59.04995	0.4
60.04525	1.8
65.03938	0.4
67.05502	1.1
69.03414	0.9
69.07092	0.7
70.02591	0.6
70.02959	10.8
70.06597	0.6
71.04996	0.6
72.08172	0.4
79.05494	1.0
81.07054	2.0
83.04965	0.6
84.04485	0.6
84.08142	0.8
85.02882	0.6
85.06527	0.5
88.03994	4.9
91.05478	1.0
93.07034	1.1
95.04981	0.4
95.08596	1.5
97.06525	0.6
98.20816	0.8
102.05550	20.5
103.05477	0.5
105.07037	1.3
107.08589	1.6
109.06525	0.5
109.10176	1.7
110.06008	0.3
110.16096	0.3
111.04485	0.5
111.08087	0.7
117.07020	0.9
118.06581	1.0
119.08555	1.4
121.06512	0.4
121.10139	0.7
122.06061	0.7
124.07610	0.3
125.09670	0.3
128.04970	4.5
128.05984	0.4
128.06230	0.4
129.06996	1.1
131.04907	0.7
131.08571	0.6
132.04457	1.8
132.09367	0.3
133.06439	0.5
133.10164	0.4
135.08096	0.4
135.11707	0.6
136.07597	0.5
140.33479	0.3
143.08560	0.8
145.10078	1.6
146.06017	100.0
147.06322	0.8
147.11736	0.5
148.06061	5.8
151.11197	0.5
153.01822	0.5
157.10188	0.5
159.11696	0.5
161.09639	0.4
162.05556	0.4
171.11670	1.2
174.05519	18.0
175.11186	0.4
177.05556	0.5
180.06516	1.0
183.11659	0.4
189.09109	0.5
192.06583	1.1
213.19304	0.3
217.12318	0.9
235.13359	0.5
243.07574	2.6
245.04535	0.4
257.18896	0.4
261.08694	2.8
275.10275	3.5
289.08252	2.0
289.11389	0.4
303.09763	0.9
303.13058	0.7
306.08749	0.4
315.28049	0.3
321.05142	2.6
321.10898	2.8
321.14301	1.2
321.24536	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1036
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.8
55.05492	0.6
56.96566	4.7
57.03447	2.4
58.99837	0.8
59.04984	1.2
61.02930	1.9
61.03194	0.3
61.58635	0.4
63.61643	0.4
68.98283	1.0
69.03088	0.5
69.03433	7.0
70.06589	0.8
70.99827	1.2
71.01353	2.8
71.04973	1.4
71.39372	0.8
72.08118	0.4
73.01392	0.5
73.02934	1.9
77.00900	0.7
79.05476	0.6
81.03424	2.0
82.99836	3.6
83.04958	1.1
84.96024	0.8
85.01416	3.2
85.02447	0.7
85.02911	10.5
85.06529	0.4
86.06047	1.1
86.99335	0.8
87.04472	2.6
88.97236	0.4
89.00872	0.6
94.99846	1.5
97.01395	3.1
97.02898	7.6
98.97588	13.7
99.02908	0.6
99.04446	0.9
100.99163	0.5
101.00891	20.9
103.02444	4.2
109.02867	1.3
110.97579	4.0
111.02922	1.5
111.04391	0.4
112.99142	5.6
113.00873	13.4
113.02322	1.9
115.00707	0.7
115.02438	20.0
115.03792	0.8
116.03920	0.4
116.98627	3.1
117.03999	4.8
119.00170	0.5
119.01927	15.8
121.03471	0.5
125.00841	1.5
127.02444	4.7
127.03909	2.1
127.82030	0.4
128.98592	1.5
129.00323	0.9
129.02072	2.1
129.03992	6.2
131.00174	2.3
131.01915	17.0
131.03421	0.7
132.03366	0.5
133.03477	21.1
134.03600	0.7
135.05025	2.6
136.84471	0.4
137.00845	3.8
137.02983	0.5
138.01579	1.3
139.02455	1.9
139.03351	0.6
140.07008	0.4
141.00410	0.5
141.01880	2.1
141.03969	4.8
141.06554	0.4
142.08604	0.7
143.00137	1.0
143.01906	13.2
143.05540	0.8
144.04596	0.4
145.01691	0.6
145.03439	11.5
145.04906	2.0
146.03407	0.5
147.01355	1.5
147.03224	1.5
147.05038	7.8
149.01204	0.5
149.02927	1.4
151.02614	0.5
151.04427	1.1
153.03993	2.9
153.05099	0.4
153.05771	0.9
155.01903	22.1
155.05473	0.9
156.02739	3.0
157.03484	7.6
157.45734	0.4
158.04269	0.5
158.08083	0.7
158.99698	2.5
159.01457	0.8
159.03160	2.8
159.05042	22.4
160.05219	0.4
160.09697	2.1
161.01431	0.7
161.02986	9.2
161.04398	1.2
161.05669	5.0
161.06702	0.7
161.55661	0.5
163.02666	0.5
163.04527	2.3
165.03995	0.5
165.06047	0.7
167.01825	1.0
167.05495	0.9
168.99786	1.2
169.03368	2.1
170.05017	1.9
170.99649	0.8
171.01355	0.8
171.05035	24.4
172.05063	0.4
173.01396	0.7
173.02960	11.6
173.06570	4.2
174.03189	0.4
175.03055	0.6
175.04543	3.3
177.00702	1.1
177.04332	4.9
177.06071	13.6
178.04848	0.9
179.01884	2.3
181.03435	0.6
183.01448	0.5
183.03430	0.6
183.05029	6.8
185.02963	4.3
185.06601	3.0
187.00858	2.3
187.04486	2.1
189.02408	1.2
189.04443	0.8
189.06125	9.7
191.02237	0.7
191.03960	1.6
191.07639	0.5
193.03526	1.1
195.05156	2.5
195.07152	4.0
196.02036	0.5
196.99335	0.5
197.02992	2.8
197.06572	1.2
199.04495	1.2
201.00787	0.9
201.02499	0.8
201.04311	1.3
201.06076	9.2
203.04022	12.3
203.07635	2.5
204.04155	0.4
205.01912	0.6
205.03790	0.7
205.05583	1.5
207.05026	1.1
211.04553	1.7
213.04141	0.3
213.06088	5.2
215.00363	2.8
215.03807	0.5
219.01817	4.9
219.07159	20.9
221.05081	25.1
223.04890	0.6
225.06006	1.9
227.04207	0.4
229.01970	2.9
231.07170	20.4
233.05049	1.3
233.08728	3.9
237.02815	3.3
240.07489	0.7
243.07176	4.1
244.07898	0.5
245.05104	12.1
245.08745	0.8
247.02985	5.2
247.06668	0.8
249.06451	0.5
255.07190	6.0
259.06744	2.3
261.08237	30.2
262.08371	0.8
262.72485	0.4
270.06839	0.4
273.08243	5.5
279.09265	35.1
280.09311	0.6
285.08148	0.4
289.03967	0.5
297.09039	0.5
302.10843	0.6
303.09317	0.8
305.07401	0.5
305.10779	0.7
312.08441	0.4
321.10385	100.0
322.10724	2.3
339.09503	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	321.0946
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	2.9
56.45465	1.5
56.96566	13.8
57.03447	3.2
58.23471	1.8
61.02927	4.4
69.03432	5.7
70.02874	8.1
73.02927	2.8
81.03416	1.8
82.99869	4.6
85.01401	2.9
85.02914	16.3
86.97628	1.9
95.06144	2.4
97.01396	2.0
97.02896	7.9
98.97602	25.6
101.00888	27.6
103.00653	2.1
103.02444	5.6
109.02895	2.7
110.97620	4.6
111.02083	2.5
111.05599	6.1
112.99176	2.9
113.00883	10.1
113.02352	4.3
115.02433	12.2
116.98667	5.5
119.01929	33.2
120.02615	6.6
121.01702	4.7
123.05574	2.9
127.02464	4.3
127.03947	3.1
128.98628	4.0
129.02261	1.7
129.03140	5.7
129.04022	7.2
131.00200	1.9
131.01910	17.6
133.03482	22.7
137.00877	2.3
137.02936	2.1
141.01849	19.7
141.04012	3.4
141.06604	12.2
143.00183	2.9
143.01880	11.0
144.98140	2.2
145.03500	11.7
145.05083	2.2
147.01381	1.7
147.03198	2.0
147.05077	7.5
153.04106	1.7
155.01918	13.3
157.03471	14.2
158.99724	2.8
159.02931	14.9
159.05045	12.7
159.07680	6.0
161.01331	3.6
161.03003	10.4
163.04527	3.2
165.04243	2.3
167.01900	1.8
168.99895	1.9
169.03586	3.0
171.03792	2.6
171.05028	12.9
173.01640	1.6
173.02997	10.3
174.99223	1.9
175.02826	2.6
175.04582	12.3
177.00853	2.1
177.04414	2.2
177.06168	6.8
179.02222	3.4
183.05145	4.0
185.03020	2.7
185.06644	3.3
187.00940	2.7
187.04553	3.8
189.02521	2.9
189.06116	3.8
191.02229	2.3
191.03944	2.1
197.03139	3.6
199.04651	2.1
201.00717	3.7
201.02492	5.1
201.06219	6.1
202.06108	4.6
203.04068	6.8
205.00304	3.8
205.04010	2.0
205.05684	2.0
207.05194	2.0
213.02628	2.6
213.06183	3.5
214.04144	2.1
215.00473	3.7
219.01759	3.0
219.03677	8.8
219.07167	12.0
221.03316	3.0
221.05139	15.3
223.06683	13.9
225.06421	3.1
230.07361	4.6
231.03665	2.0
231.07190	15.7
233.05219	3.0
233.08676	3.9
235.06874	2.4
237.02917	3.2
239.04510	5.2
240.55737	2.1
245.05072	9.6
247.03098	7.6
255.07301	4.0
261.04901	3.2
261.08316	15.2
273.08255	4.4
277.08182	2.1
279.09256	16.5
289.04086	3.7
303.06113	2.2
303.09543	1.7
321.11084	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.0951
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96572	1.9
56.98734	0.8
57.03433	1.3
61.02921	1.0
66.07899	0.7
69.03432	2.3
69.57133	0.7
71.01350	1.0
71.50170	0.9
71.96851	0.7
73.02899	1.0
74.82468	1.0
75.91087	0.7
81.03403	1.2
82.99853	1.6
85.01435	1.2
85.02914	4.2
87.04446	1.0
91.03951	0.9
96.79725	1.0
97.01411	1.5
97.02888	2.9
98.97603	7.8
101.00910	12.0
103.02443	2.2
110.97585	1.6
111.02082	1.9
111.02914	0.8
111.05524	1.1
111.40636	0.7
112.99126	1.1
113.00889	6.3
113.02388	1.0
115.02444	8.9
116.98635	2.0
117.04042	1.4
119.01927	6.8
120.02611	1.9
123.05575	1.5
127.02412	2.8
127.03847	1.1
129.03119	1.7
129.03981	4.1
131.00163	1.0
131.01906	5.6
133.03485	10.8
137.00838	1.4
138.01630	0.8
141.01848	3.3
141.03954	2.5
141.06589	3.3
143.01930	5.3
145.03491	5.4
147.03142	1.0
147.05045	3.2
151.04501	0.8
154.59818	0.8
155.01920	10.9
156.66055	0.8
157.03526	5.9
159.02943	3.0
159.05061	9.0
159.07686	2.6
160.09724	1.1
161.02988	3.1
161.05534	0.9
169.03459	1.8
169.07687	0.9
171.05043	10.3
173.02971	5.5
173.06641	2.0
175.04530	2.8
177.04475	1.5
177.06114	6.1
183.05048	3.7
185.03003	2.2
185.06584	1.7
187.04533	1.3
189.02457	1.1
189.06184	3.0
191.03979	1.0
195.05153	1.5
195.07138	2.5
197.03117	1.2
197.06625	1.1
201.02454	1.0
201.06128	3.5
202.06053	2.5
203.04015	6.2
213.06152	2.6
215.00412	0.9
215.23602	0.8
219.01740	1.7
219.07146	10.7
221.05087	8.7
223.06625	2.9
230.07339	4.7
231.07152	11.5
233.08760	2.9
237.02748	1.0
239.04407	2.2
243.07014	0.9
245.05130	6.5
247.03056	1.9
255.07167	3.8
261.08258	12.3
273.08209	4.3
279.09308	13.9
321.11774	100.0
322.11359	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.0865
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.6
55.01871	1.1
55.05514	0.8
56.96569	23.8
57.03435	3.3
57.07050	0.7
59.05008	3.7
61.02930	1.9
67.05511	1.0
68.99776	0.8
69.03436	9.3
69.07088	3.7
70.06606	1.6
70.07358	0.7
70.81737	0.9
70.82059	1.3
71.01373	4.1
71.05004	1.5
71.95258	1.5
72.08156	0.8
72.93811	0.9
73.02917	2.1
74.97623	1.2
79.05465	0.8
81.03416	3.0
81.07075	1.0
82.77338	0.7
83.01317	1.0
83.04983	1.0
84.04530	1.1
84.08146	1.4
84.96037	12.3
85.02912	17.3
86.84414	0.9
87.00858	0.9
87.04475	4.1
91.05474	1.5
92.95496	0.9
95.04971	0.9
95.08617	1.1
97.02894	7.7
97.06548	1.1
97.96823	1.7
98.06138	0.7
98.97588	100.0
99.04477	1.8
101.02424	0.9
109.02887	1.8
109.89294	0.7
110.97572	26.2
110.98347	1.4
111.04483	1.2
112.99155	3.3
113.02385	3.3
114.05555	1.0
115.03915	1.0
116.98629	26.9
124.99149	3.0
126.97059	1.5
127.03925	4.3
128.98613	18.6
129.01825	1.2
131.00186	3.1
131.01910	0.9
133.06459	0.7
134.99664	5.4
136.07587	1.5
139.03894	1.8
140.00195	1.3
140.07101	1.5
140.98587	6.6
141.01848	10.3
141.07434	1.2
142.03281	0.9
143.00160	11.5
144.98055	4.3
145.04965	4.9
145.25168	0.8
146.99681	5.6
147.03215	0.9
152.07127	0.8
152.98615	9.5
153.04900	1.5
155.00194	1.2
155.01955	0.8
155.03410	0.9
156.98055	0.9
157.98970	0.8
158.08195	0.9
158.97441	3.6
158.99660	15.9
159.00964	0.7
159.02884	5.7
159.06503	1.2
159.08574	0.9
161.01228	6.9
161.04689	3.3
162.05472	1.8
162.99208	1.5
164.07152	1.0
170.05167	1.2
170.99704	10.3
171.03159	0.8
171.05759	1.1
173.01230	1.7
173.04518	1.6
173.07173	0.8
174.05609	0.8
174.99207	1.1
177.00722	12.1
177.02161	1.4
177.04324	1.4
186.07559	1.2
187.02524	1.0
187.04137	0.7
189.00710	4.0
189.06673	3.6
191.02325	1.0
201.00633	4.1
201.04329	1.7
210.06549	1.5
216.97963	1.6
216.99983	1.0
217.05717	0.9
219.01767	27.9
231.05351	0.9
232.56567	0.9
234.99014	8.8
235.07220	2.8
237.02815	29.6
239.04459	1.2
255.03516	0.8
261.03632	1.4
261.06448	11.6
271.04581	1.0
279.04507	2.5
279.07520	78.2
285.12537	0.8
297.08600	9.5
302.09244	1.7
303.05994	0.9
303.13370	1.9
305.09219	1.8
309.08649	0.8
321.08643	48.7
321.14633	2.1
323.10114	1.1
339.09232	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.0671
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96572	34.2
61.02928	2.4
69.03441	7.7
70.45984	3.4
70.46352	6.2
71.95274	5.6
74.93187	5.2
76.92862	3.5
79.05503	2.1
81.03432	3.2
81.04550	7.5
82.05350	3.0
82.99873	2.8
84.96056	4.6
85.02937	11.4
95.06110	14.1
97.02908	7.0
98.96954	5.0
98.97605	100.0
99.97884	2.3
101.00903	20.3
103.00616	1.9
110.97588	17.8
111.05582	36.5
112.99165	6.8
113.00881	3.2
115.02441	2.6
116.98644	47.2
119.01947	35.5
121.01699	2.3
123.05592	27.6
124.99161	3.4
127.02464	5.1
127.03881	2.4
128.98610	13.6
130.93347	2.3
131.00206	7.1
131.01913	5.5
133.01706	2.1
133.03484	4.9
134.99698	15.1
137.03006	2.3
141.06619	72.7
143.00195	12.2
143.01901	16.3
145.03482	18.8
145.04634	1.9
145.05008	1.7
146.99725	7.2
147.05016	1.9
149.01221	2.7
153.03175	2.1
154.93369	4.0
155.00203	2.3
155.01930	8.4
157.03529	8.1
158.99719	9.8
159.07675	45.6
160.97823	2.0
161.01262	5.3
161.03006	20.8
163.04591	2.7
166.00607	2.1
167.01994	2.6
169.03490	1.8
170.99974	4.1
171.01468	10.6
171.05093	2.4
172.94463	3.1
173.01501	3.8
173.03011	14.7
174.97707	3.1
175.04605	2.6
177.00896	12.7
178.01392	2.5
179.00854	2.3
180.17543	3.6
185.01344	3.9
185.03001	4.9
187.01115	3.8
189.00912	2.7
189.02504	21.2
190.95454	2.8
191.04008	3.1
197.03191	3.9
200.97406	2.2
201.00848	7.8
201.02557	9.8
203.00784	4.1
203.04115	13.2
207.00131	2.5
213.02351	3.2
214.96750	3.1
216.04121	2.4
216.98726	6.0
217.99014	4.7
219.01903	37.9
219.03708	5.8
219.97441	2.1
220.02171	6.2
221.01759	8.2
221.05124	60.7
223.06641	4.0
226.51219	2.0
228.00748	2.7
232.96530	2.5
233.05219	9.4
234.01076	2.6
234.99805	4.1
235.99989	3.8
237.02908	19.4
237.98921	2.2
239.04356	4.0
244.89682	4.3
245.02010	3.5
245.05144	10.1
255.94138	2.1
256.97586	26.9
257.98309	1.9
258.01648	2.7
261.02966	14.1
261.04840	9.5
261.08249	3.4
262.03354	3.2
262.90793	3.9
263.02994	5.0
263.05920	2.1
264.01367	2.1
268.94305	4.7
273.95108	5.4
274.94009	10.8
277.07675	3.6
279.03732	8.7
279.05869	8.7
279.08618	2.5
281.50757	2.4
289.00043	5.8
294.02850	2.6
297.05231	2.0
297.95425	3.1
298.18814	13.0
298.98120	6.2
302.97562	2.2
303.01462	2.4
314.95361	2.5
321.03336	3.5
321.06558	8.8
321.10092	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	320.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.1
55.01867	5.8
55.93517	4.0
56.05024	2.2
56.96302	2.0
56.96566	28.6
57.03445	8.8
59.05006	3.5
60.04520	4.5
61.02925	5.2
67.05510	4.0
69.03436	23.8
69.07071	15.1
70.03790	2.1
70.06601	31.1
71.01349	8.0
71.04993	5.9
71.50188	2.4
72.04514	2.3
72.08154	4.3
72.93782	2.9
73.02914	6.9
74.06081	3.2
77.21715	1.8
79.05492	3.8
81.03440	8.4
81.07047	3.6
83.01337	1.9
83.04983	2.4
84.04502	11.7
84.08134	6.1
84.96041	5.7
85.02914	42.1
85.06557	4.1
86.03223	2.0
86.06100	1.7
86.09707	15.7
87.04482	4.0
90.94798	2.1
91.04002	1.9
91.05473	4.9
94.06576	10.6
95.01266	1.9
95.04963	4.2
95.07354	1.8
96.04490	11.2
96.08122	4.0
97.02910	21.4
98.06054	13.1
98.97591	59.9
99.04468	5.1
99.97900	2.9
102.05546	4.5
102.97072	1.9
103.03926	3.3
106.06570	1.8
107.04992	3.3
107.07339	2.2
109.02875	8.8
110.06040	2.3
110.97587	14.8
111.04429	4.1
112.03966	2.6
112.07610	19.2
112.99143	2.7
113.02406	3.7
114.05548	23.0
116.07098	7.7
116.98621	16.4
122.06017	5.8
123.04424	2.7
124.07597	6.3
124.99148	3.3
126.09286	2.1
127.03933	7.8
128.04202	2.2
128.98634	15.1
129.01691	1.5
130.05014	4.6
131.00156	2.8
131.30655	1.5
131.95091	2.0
134.03120	2.6
134.99660	5.0
136.07573	3.4
136.91029	1.7
137.05975	4.5
138.05479	3.1
138.09129	11.4
139.03922	3.9
140.02632	2.6
140.06012	3.2
140.07082	62.1
140.98578	2.7
141.01831	3.6
141.05470	5.8
142.08656	2.4
143.00169	5.6
145.04974	4.9
146.99615	5.3
152.07025	2.0
152.98665	4.3
156.06583	4.7
157.01712	2.2
158.03662	3.9
158.08150	100.0
158.97435	2.2
158.99693	11.0
161.01247	4.3
162.05444	1.9
162.99185	2.4
164.06973	2.3
167.07117	2.6
170.99690	4.8
173.01138	1.9
173.04659	2.4
173.12904	10.1
175.02821	3.2
176.03206	2.4
177.00798	10.1
182.08223	2.0
193.04175	2.4
201.00818	2.6
202.55182	2.3
208.09674	2.0
211.02745	2.3
212.06056	2.1
218.02394	4.4
218.04341	2.2
219.01700	14.9
220.02142	2.1
232.03944	2.6
232.06082	2.4
234.99159	5.3
237.02803	16.3
240.12354	6.4
248.05736	1.7
258.13318	11.1
261.06406	4.2
265.56659	2.4
271.04556	5.0
279.07535	29.1
295.59671	3.1
297.08560	3.3
302.12341	9.3
303.05563	2.2
303.13080	1.9
320.04715	3.7
320.07846	3.4
320.13504	10.6
320.16571	1.9
321.08823	13.1
330.46326	2.2
338.08603	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	319.0452
Annotation	Myricetin
Peak:m/z	Relative Intensity
53.03697	0.2
53.03948	0.3
54.79792	0.2
55.01865	0.8
55.05505	0.5
57.07061	0.2
65.03946	1.1
67.01869	0.4
67.05513	1.2
67.12377	0.2
68.99795	4.1
69.03431	1.1
69.07056	1.0
71.04995	0.3
71.51400	0.3
72.08149	0.4
77.44475	0.2
79.01849	0.5
79.05487	0.8
81.03418	1.2
81.07064	1.2
83.04958	0.5
83.08633	0.2
85.02915	0.9
85.06540	0.4
86.09719	0.5
91.05485	1.3
92.05019	0.3
93.03407	0.7
93.07048	1.7
94.46614	0.2
95.01344	0.4
95.04971	0.9
95.08615	1.0
97.02900	1.0
97.06515	0.3
97.10154	0.2
99.04448	0.3
105.03374	0.4
105.07042	1.4
107.01326	0.3
107.04896	0.4
107.08611	1.1
108.08131	0.3
109.02895	2.6
109.06530	0.5
109.10145	0.7
111.00809	5.2
111.04450	0.8
111.08082	0.4
115.05483	0.2
117.07026	0.3
119.08556	1.0
121.02870	0.8
121.06530	0.6
121.10142	1.2
123.04412	0.5
123.11653	0.2
124.07587	0.2
125.02373	1.0
125.06007	0.3
125.09607	0.3
126.03136	0.7
126.09140	0.4
127.03905	0.7
131.04985	0.2
131.08556	0.8
133.02838	0.6
133.06476	0.5
133.10117	0.8
135.04390	0.3
135.08005	0.4
135.11694	0.5
137.02354	5.0
137.05974	0.6
137.09624	0.4
138.05489	0.3
138.09143	0.3
139.03906	0.9
139.11235	0.4
143.08565	0.3
145.10141	0.8
147.04411	0.9
147.08035	0.3
147.11658	0.5
149.02353	0.5
149.05988	0.8
149.09657	0.3
151.03918	0.8
152.07068	0.7
153.01840	23.0
153.05479	0.6
155.08632	0.2
157.10172	0.4
159.11700	0.4
161.02316	0.3
161.05991	0.7
163.03969	0.4
163.07570	0.4
163.11185	0.3
165.01852	6.9
165.09093	0.4
166.02612	1.0
166.05038	2.0
169.01337	1.7
171.03088	0.2
171.04442	0.9
171.11652	0.3
173.09625	0.3
175.03922	0.7
175.07559	0.4
177.05499	1.2
179.03413	3.3
181.01306	0.4
182.04521	0.8
183.02916	2.0
187.14821	0.4
189.05478	2.2
191.10681	0.2
193.01302	0.5
193.04951	0.4
195.02867	1.7
199.03917	1.6
200.10773	0.3
201.05566	0.2
203.03310	1.5
207.02884	1.5
215.08090	0.2
215.14349	0.3
216.04149	0.4
217.04990	6.4
219.02925	0.7
220.03740	0.2
221.04558	0.6
227.03416	1.1
228.10245	0.3
229.05016	0.7
231.02832	0.4
232.03752	0.4
233.04465	0.3
233.09258	0.3
235.02370	0.6
235.06046	0.6
240.08994	0.4
244.03680	0.8
245.04488	9.0
246.04877	0.2
249.04083	0.3
255.03003	1.5
255.11345	0.7
259.07266	0.2
259.10825	0.5
263.05585	1.5
267.70596	0.2
271.10803	0.8
273.03964	9.8
273.12088	0.3
283.02408	0.5
283.10739	1.5
287.13998	0.6
289.11880	0.4
290.04187	2.4
291.04950	0.3
301.03534	2.1
301.11865	2.7
301.18225	0.5
319.04504	100.0
319.19077	1.0
320.04697	1.5
327.60516	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.3005
Annotation	Phytosphingosine
Peak:m/z	Relative Intensity
55.05501	1.5
56.05043	11.4
57.01802	0.4
57.07080	8.4
58.06606	5.4
60.04531	14.8
68.05025	1.0
69.07066	0.7
69.99935	2.0
70.06583	1.0
70.15474	0.4
71.08633	3.6
73.45999	0.4
74.06086	10.0
81.07043	0.5
83.08587	0.5
85.10182	1.6
86.06052	0.8
88.07637	39.2
95.08591	0.8
100.07615	0.4
102.09217	0.8
104.07121	1.2
118.08667	7.1
122.08162	5.6
129.87564	0.5
144.81346	0.4
256.26340	2.2
270.27942	34.8
271.28506	0.4
282.27954	2.6
300.29044	4.7
318.30057	100.0
319.30341	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.0452
Annotation	Myricetin
Peak:m/z	Relative Intensity
55.01865	1.1
55.05499	1.1
57.03442	0.5
57.07065	0.5
63.03572	0.3
65.03931	0.7
67.01857	0.6
67.05506	2.4
68.99791	5.2
69.03436	2.7
69.07066	1.0
71.04998	0.8
71.51630	0.4
72.08151	0.8
73.95325	0.3
78.44169	0.3
79.01863	0.4
79.05512	1.8
81.03432	2.1
81.07052	1.9
82.87088	0.4
83.04984	0.8
85.02903	1.8
85.06535	1.0
91.05485	1.4
93.03400	0.6
93.06672	0.3
93.07056	2.8
95.01321	0.9
95.04954	1.2
95.08601	2.2
97.02888	1.4
97.06533	0.7
99.04498	0.4
99.08115	0.4
103.05502	0.4
104.35261	0.3
105.07061	1.9
107.04958	0.6
107.08596	2.7
109.02889	1.8
109.06510	1.0
109.10150	1.5
110.03697	0.4
111.00809	3.5
111.04473	1.7
111.08102	0.5
115.05449	0.9
117.07007	0.7
119.04981	0.3
119.08610	1.8
120.08104	0.4
121.02884	1.1
121.06522	0.9
121.10142	3.6
123.04448	1.0
123.08075	0.5
125.02388	1.8
125.03161	0.3
125.06003	0.5
125.09664	0.4
126.03143	1.3
127.03917	1.2
129.06992	0.5
131.04904	0.4
131.08597	0.8
133.02834	1.0
133.06532	0.6
133.10133	1.4
135.08051	0.6
135.11685	1.3
136.07581	0.6
137.02356	6.4
137.03410	0.4
137.06003	0.7
137.09590	0.8
139.03903	1.1
139.07564	0.4
139.11209	0.5
143.08594	0.3
145.10129	0.9
147.04420	1.1
147.08003	0.5
147.11700	0.8
149.06001	0.8
149.09656	0.7
150.03156	0.4
151.03955	0.8
151.07553	0.6
153.01839	22.8
153.05431	0.8
157.10138	0.6
157.12247	0.7
157.64357	0.3
159.11699	0.5
161.05978	0.9
161.09613	0.3
163.03937	0.4
163.14870	0.5
165.01851	9.3
166.02638	0.8
166.05022	0.5
167.03383	0.3
169.01364	2.2
171.04449	1.0
173.13263	0.4
175.03908	0.8
175.07484	0.7
177.05516	1.6
177.09004	0.5
179.03409	6.7
183.02925	1.5
187.14870	0.4
189.05453	1.4
189.10493	0.4
189.12679	0.4
191.10571	0.4
191.14252	0.6
193.01372	0.9
193.05070	0.6
194.01949	0.4
195.02927	3.2
197.13191	0.4
199.03908	1.5
203.03383	2.5
203.10545	0.4
207.02913	3.6
209.15308	0.5
212.09419	0.4
215.14447	0.4
217.04985	5.9
221.04475	1.4
227.03455	0.9
227.11868	0.6
229.05081	0.6
231.02936	1.3
232.03664	1.4
235.02390	0.4
235.05995	0.5
243.11330	0.9
244.03694	0.5
245.04475	10.7
249.03827	0.4
255.02927	1.4
255.11261	1.0
259.10812	0.7
263.05521	1.0
271.10892	0.7
272.11328	0.4
273.03964	13.2
273.12283	2.2
275.16452	0.4
283.02310	0.9
283.10669	0.8
290.04144	3.3
291.04840	0.5
301.03455	3.4
301.11859	2.2
301.17944	0.8
319.04498	100.0
319.19070	3.8
320.04779	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.1186
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.1
54.83332	0.5
55.01863	1.5
56.96557	2.2
57.03448	2.9
59.04999	0.6
61.02922	3.4
67.05497	1.4
68.05026	2.1
69.03429	10.1
70.11496	1.2
71.01324	1.0
71.04987	1.6
72.04515	0.7
72.08156	4.8
73.02926	2.6
73.03270	0.5
80.10815	0.4
81.03418	4.1
81.07044	0.6
83.04953	0.6
84.04499	0.7
84.08150	1.0
85.02906	23.2
86.03228	0.5
86.09709	4.0
87.04467	2.6
91.03961	1.0
96.04496	30.9
97.02897	8.7
98.06042	0.5
98.97593	3.3
99.04442	1.7
101.02370	1.0
103.03872	0.6
108.08106	2.4
109.02875	3.1
110.06033	1.5
110.97574	0.9
111.04452	3.3
114.05521	3.1
115.03989	0.6
120.04467	0.9
122.06055	3.4
123.06814	0.5
127.03902	5.1
128.61948	0.5
136.07562	1.8
136.08478	0.6
138.05505	41.6
139.03912	4.0
139.06305	1.2
143.11813	1.0
145.04984	2.6
156.06561	100.0
157.06866	0.7
158.99754	1.1
159.44693	0.6
164.07080	8.5
171.06609	0.5
182.08148	0.9
185.16479	1.5
198.07571	0.9
213.16013	0.6
219.01782	1.2
227.06778	0.8
230.17523	0.7
254.10236	0.7
276.10934	1.2
282.09656	0.6
300.10907	2.5
305.09106	0.6
318.11832	14.4
318.15338	0.9
318.27625	0.9
319.07431	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09596	0.4
52.46225	0.3
53.03940	0.7
55.01864	0.5
55.05504	0.6
56.86432	0.3
57.03427	2.0
61.02933	1.8
61.75432	0.3
67.05504	0.5
69.03432	3.8
69.07066	1.1
70.06573	0.4
70.82283	0.8
71.04976	0.5
72.08155	0.6
73.02919	0.5
79.05481	0.5
81.03400	1.8
81.07031	0.6
82.02921	0.3
82.06570	1.1
83.01347	0.6
84.08162	0.4
85.02910	7.4
86.03219	0.5
86.09711	0.4
87.04475	0.8
91.03979	0.6
92.79208	0.3
93.07045	1.7
95.07382	0.4
95.08630	1.8
96.04485	3.0
96.08147	1.9
97.02908	3.1
97.05291	2.7
97.06546	1.3
99.04460	0.7
100.07613	1.7
103.03938	0.5
109.02888	1.1
109.06508	0.8
110.06045	6.9
110.09683	3.8
111.08071	0.9
120.08129	0.9
121.06514	1.2
125.08344	0.8
126.09169	8.3
127.03913	1.2
138.05565	0.5
138.09149	21.9
139.07542	1.4
145.04991	1.0
150.09160	0.3
152.10727	0.4
154.12346	0.4
156.10208	100.0
157.10555	0.7
159.02896	0.8
168.10216	1.2
180.10172	0.4
198.11319	1.0
259.72272	0.3
272.04932	0.8
290.05826	0.4
318.06815	0.5
318.15363	1.5
319.04440	1.0
331.85217	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0774
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00301	1.3
53.03939	4.3
55.01882	7.3
55.05518	9.7
56.03003	1.5
56.56799	1.3
56.96301	2.7
56.96567	36.5
57.03445	17.1
57.07071	2.2
58.54603	1.4
59.05006	9.6
61.02930	8.8
67.05499	5.4
69.03082	2.7
69.03430	32.4
69.47108	10.7
70.06591	3.6
71.01359	10.1
71.04996	14.2
72.08150	9.2
73.02925	14.3
73.06548	5.3
75.04472	2.3
81.03429	12.4
83.01328	4.9
83.04989	3.2
84.04517	2.4
84.08153	12.1
84.96031	8.7
85.02911	65.6
85.06543	2.1
86.09717	7.4
87.04471	7.8
91.03955	3.0
95.01330	3.5
95.04990	2.7
95.08569	1.9
97.02896	34.4
97.06544	1.6
98.03221	2.6
98.97592	100.0
99.04462	14.3
101.00864	1.4
101.02401	4.6
101.06007	2.2
103.03922	2.1
104.03117	1.5
107.04959	2.2
109.02875	6.9
110.01277	2.7
110.97582	21.3
111.00791	2.0
111.04459	6.3
112.07603	2.6
112.99110	5.9
113.02371	8.8
115.03930	3.2
116.98627	25.7
117.02056	1.8
117.03873	2.4
117.05502	1.6
119.01868	8.2
124.03873	1.8
124.99122	6.4
125.02344	3.9
126.97028	4.2
127.00653	2.8
127.03926	18.6
128.02284	4.3
128.98633	13.0
129.01920	4.5
129.05504	4.6
129.10226	5.0
130.05055	2.3
130.08626	2.9
130.96324	4.3
131.00169	3.2
131.01808	2.2
131.03461	2.7
134.99652	3.5
138.05550	3.4
139.03903	6.5
140.98625	4.3
141.01823	7.4
143.00203	9.8
143.01849	2.8
143.11790	3.6
144.98141	7.2
145.01588	1.5
145.04941	8.9
146.02286	1.8
146.04131	5.9
146.99637	3.4
147.03328	7.6
147.07686	4.3
152.98596	4.4
153.01909	2.2
153.06587	2.2
154.05109	1.7
154.94189	1.5
155.00101	2.8
155.03426	2.3
155.04636	47.8
155.08148	2.3
155.54837	3.9
156.03378	3.0
156.06528	3.3
156.98061	3.1
158.06642	5.6
158.99677	43.2
159.02925	5.4
159.99966	2.4
161.01262	4.7
161.02873	5.9
161.04520	1.7
162.99138	4.3
164.05199	10.3
164.55348	1.7
165.04292	2.8
167.02872	3.0
167.06963	2.8
170.99673	11.3
172.95255	1.6
172.97375	9.5
173.01303	3.6
173.04526	2.1
175.04556	1.9
176.07700	2.6
176.96333	3.5
177.00722	22.8
182.03365	5.0
182.99686	4.8
185.01572	5.0
186.04327	2.9
186.99191	5.6
188.05119	2.8
188.07748	2.3
189.00708	5.1
189.04318	3.5
190.56976	2.2
191.02373	1.9
191.03885	8.4
191.05615	3.1
192.04662	3.1
194.02246	8.2
194.97379	2.0
197.01221	4.4
199.02734	1.9
200.04449	2.2
201.00734	14.6
203.05786	3.4
206.04431	3.6
206.06203	2.9
210.04689	6.7
211.05475	2.3
213.04309	1.9
214.96420	2.5
214.98599	1.7
215.02185	3.9
217.00264	2.3
218.06258	4.6
218.97403	2.0
219.01770	38.2
225.10797	2.1
227.06776	47.2
227.56969	5.6
236.07317	25.9
236.57381	4.2
236.98438	3.6
237.02814	23.6
243.01665	2.4
243.05118	1.9
245.03195	2.9
251.12442	12.9
252.07771	2.0
254.99435	2.5
257.03635	1.7
261.02802	2.3
263.12424	8.8
266.04330	3.0
269.13483	5.3
271.04544	4.4
275.04739	5.5
281.13464	25.1
285.06140	1.8
291.04514	2.2
291.07483	11.8
299.04453	2.5
303.03815	3.2
309.08597	23.0
317.05551	6.7
317.11761	5.7
317.21936	3.1
321.04907	3.2
321.08481	1.9
335.06494	2.9
339.01575	16.2
339.05173	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	317.0721
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.9
55.01871	6.9
55.05502	1.7
56.96568	44.3
57.03439	18.4
58.04209	1.1
59.05003	9.0
61.02934	17.3
63.80285	0.5
66.00498	0.5
67.05497	1.6
68.98302	0.6
69.03434	50.4
69.07045	0.5
70.03756	2.3
70.06594	2.7
70.98126	3.9
70.99833	0.8
71.01360	23.1
71.05002	8.3
71.50957	0.8
71.95258	1.9
72.01693	0.7
72.08164	6.2
73.02919	18.4
73.06570	0.7
74.00238	1.1
74.03687	1.3
74.97597	1.0
75.04470	2.1
76.01830	0.9
80.00224	0.9
80.04990	0.7
80.92968	0.6
81.01048	1.3
81.03424	11.3
81.07010	0.6
83.00801	1.2
83.01344	2.4
83.04977	2.6
84.01601	0.9
84.04492	0.8
84.08150	12.6
84.96040	11.9
85.02909	68.4
85.06533	1.2
86.03239	3.1
86.09690	1.8
86.97603	0.6
86.99329	0.7
87.00848	1.5
87.04472	27.9
88.01807	1.0
88.04808	1.1
88.99126	1.6
89.00779	2.4
90.01546	1.6
91.02348	1.0
91.03954	4.3
94.01794	0.7
95.00771	1.3
95.01333	2.5
95.02567	1.3
95.03447	0.6
95.04940	0.8
95.06060	1.4
96.01550	1.7
96.04488	0.7
97.02347	5.2
97.02895	62.5
97.06504	0.6
97.96790	1.2
98.01268	0.8
98.03214	2.7
98.06062	0.9
98.97588	60.5
99.04456	8.9
99.97906	1.3
100.99162	4.4
101.00866	7.1
101.02371	4.9
101.05992	1.0
101.10815	0.9
102.01579	1.0
102.04133	0.6
102.97046	0.8
103.00571	1.9
103.02357	3.1
103.03931	2.1
104.01292	1.0
105.02068	1.6
106.02890	2.7
107.02587	1.0
108.01567	0.7
108.04471	1.7
108.08130	2.2
109.00484	0.7
109.02273	1.8
109.02888	6.5
109.08461	2.1
110.01291	5.2
110.03117	2.3
110.03883	0.6
110.97575	26.4
111.02083	1.0
111.04408	0.7
112.02821	0.7
112.99136	25.4
113.00838	3.8
113.01663	1.0
113.02375	8.9
114.00900	0.7
115.00702	8.6
115.02430	3.0
115.03941	6.7
116.01267	0.7
116.03999	0.5
116.07059	0.6
116.98617	12.8
117.02045	2.5
117.04005	1.0
117.04758	0.8
117.05512	0.7
118.01060	1.2
118.02843	4.0
119.00172	1.6
119.01862	12.0
119.03606	1.0
120.02028	0.9
121.00510	0.6
121.01684	0.8
122.01320	1.2
122.03147	0.8
123.04492	0.9
124.00996	1.2
124.02843	1.6
124.95450	0.7
124.99155	3.7
125.03632	1.5
126.02592	0.7
126.97050	2.7
127.00693	3.4
127.02389	1.5
127.03954	15.1
128.02327	2.6
128.04141	1.0
128.97679	1.1
128.98619	17.8
129.00291	1.0
129.01845	24.0
129.04002	2.4
129.10239	6.2
130.01115	0.8
130.02084	0.6
131.00189	17.4
131.01851	7.4
131.03474	2.9
132.00708	1.4
133.01733	17.6
133.03328	3.7
134.99652	2.1
135.05545	2.0
136.07573	3.7
137.06155	0.8
137.07909	4.0
138.00713	0.8
138.02650	0.7
138.04494	0.8
138.05470	2.8
138.06419	0.6
138.97061	1.3
139.01605	1.0
139.03305	14.9
139.04248	0.8
139.53487	0.9
140.02286	3.5
140.04047	0.8
140.04997	0.7
140.98586	3.4
141.02017	1.2
141.03084	2.2
141.04010	0.7
142.96501	1.0
143.00192	6.5
143.01897	4.1
143.03004	0.7
143.03406	0.7
143.05542	1.3
144.98105	3.7
145.01747	6.8
145.03476	4.4
145.04965	12.6
146.02225	1.2
146.03264	0.7
146.05006	4.1
146.99654	6.8
147.01355	1.4
147.03131	1.3
147.05023	3.4
147.54910	0.7
148.03876	100.0
148.54056	3.7
149.01224	4.0
149.02211	0.6
149.02966	1.2
149.04593	0.9
149.10709	0.9
150.09158	4.8
151.02744	4.6
152.00320	0.6
152.02295	0.7
152.98622	4.4
153.06639	4.1
154.01994	0.7
154.03853	3.9
154.04942	0.8
154.08609	4.9
154.54030	1.6
155.00185	1.8
155.01830	3.9
155.02840	0.9
155.04460	0.8
155.05650	3.4
155.07025	0.7
155.08086	7.1
155.09105	1.9
156.05428	2.1
156.06583	1.2
156.98116	3.4
157.01605	3.2
157.03517	1.5
157.04462	16.0
157.54619	0.6
158.00511	0.7
158.98474	1.1
158.99667	15.8
159.01376	2.6
159.03096	1.7
159.05022	1.6
159.54701	2.9
160.03900	1.5
161.01236	5.6
161.02972	3.8
161.05588	1.6
161.06696	1.2
161.55626	2.5
162.05380	1.4
162.99161	1.7
163.02789	4.9
163.04416	6.1
163.54584	3.1
164.03279	0.6
164.07037	1.3
165.00735	1.4
166.01997	0.9
166.96497	1.4
167.05563	0.6
167.11800	0.9
168.03615	1.4
168.06456	1.3
168.98119	1.5
169.04431	23.3
169.54555	1.9
170.05186	0.8
170.99666	7.0
171.01390	3.0
171.05031	2.7
172.00156	0.6
172.05125	1.2
172.97548	0.9
173.01221	7.4
173.02946	4.5
173.06602	1.0
174.01799	2.3
174.99165	2.9
175.02763	12.0
175.04465	3.1
176.03217	0.5
176.05014	1.2
176.06219	1.0
177.00728	7.6
177.02292	1.2
177.04185	3.8
177.05916	1.3
178.04936	24.7
178.06493	1.2
178.55090	3.5
179.02187	2.0
180.01851	0.8
182.01646	0.8
182.03426	1.5
182.05180	1.7
182.99724	1.5
183.01335	0.6
183.04204	1.8
184.04964	1.3
184.97610	3.8
185.01242	1.4
185.03000	2.3
185.06650	0.9
186.99184	1.8
187.00917	2.1
187.02777	5.5
187.04520	1.7
188.01558	2.2
189.00725	5.4
189.02399	2.8
189.04231	2.8
189.06128	4.2
189.55792	1.2
190.55305	5.3
190.98657	1.4
191.02339	3.5
191.03877	1.1
191.05490	1.0
192.04581	0.9
192.06616	1.0
193.00304	1.3
193.02298	0.6
193.03879	8.3
195.02600	0.7
195.04181	2.6
196.01448	0.8
196.03246	1.2
196.05038	3.0
197.02878	0.9
198.02902	1.5
198.04755	1.5
199.02753	0.9
199.04462	1.1
201.00731	8.6
201.02431	1.1
201.04324	1.1
201.06097	2.9
202.01266	1.0
202.98721	4.0
203.02206	3.1
203.03906	42.5
203.07813	1.7
203.54135	3.3
204.02879	4.6
204.04678	39.1
204.53078	1.0
204.54869	3.4
205.00262	2.9
205.02013	0.8
205.03833	2.5
205.05583	3.4
207.01811	1.4
207.05237	1.0
207.07109	0.7
209.03940	2.7
210.04857	0.8
211.02957	0.7
211.05064	3.0
212.02548	0.7
212.04428	0.9
213.00589	1.3
213.02589	1.1
213.05321	1.0
214.05960	0.9
214.98647	1.0
215.02209	1.1
215.04007	1.1
215.07581	0.8
217.00185	1.1
217.03795	2.9
217.05592	0.7
218.04428	8.8
218.54756	1.1
219.01779	33.1
219.07243	1.4
220.02260	1.6
220.04022	1.2
220.05972	16.2
220.56204	2.2
220.99678	1.3
221.03316	0.6
221.05132	4.4
222.05075	0.8
223.01314	1.1
223.04851	1.1
224.06807	0.5
225.02457	0.8
227.04845	2.6
227.07178	2.4
229.00153	0.6
229.03825	1.2
231.07153	2.0
232.99617	1.3
233.03270	0.9
233.08806	0.8
235.04836	3.2
235.56540	0.7
236.04922	1.1
236.07283	15.6
236.09840	1.7
236.57559	1.0
237.02844	30.9
237.08035	9.0
238.03186	1.1
241.00218	0.8
244.99709	0.8
245.02950	1.0
245.05170	2.9
246.05663	0.9
246.11281	3.4
247.01239	1.5
247.04860	1.0
248.05469	3.2
249.06364	1.5
250.07036	5.3
250.57259	1.3
251.14011	3.2
253.02875	1.9
254.05530	2.6
255.03848	1.0
257.05215	1.4
258.08487	0.7
259.06656	2.5
261.08319	1.0
262.05255	2.0
263.00717	1.0
263.13876	3.1
264.12283	0.9
267.02670	0.7
269.56433	1.9
274.05133	0.7
275.04294	0.7
277.05948	17.8
278.06354	1.3
279.04025	0.6
280.08136	2.3
281.05487	1.6
281.14957	2.2
282.06177	0.8
283.05865	6.1
283.55969	1.1
285.04474	0.8
287.00528	0.8
290.06531	1.3
291.09329	3.8
292.09616	0.8
293.05508	1.2
295.07007	38.7
296.07318	2.8
299.06998	2.4
299.16086	1.9
305.10822	2.2
306.11038	0.7
307.07166	2.2
308.09573	3.0
308.59528	0.8
309.10345	1.5
309.13815	0.9
315.00153	0.8
316.59406	0.8
317.08493	7.7
317.13974	6.6
317.17493	1.4
317.21829	3.4
317.60202	1.6
318.10883	4.9
321.10306	3.5
322.10571	1.8
323.06485	2.8
323.09845	1.2
335.06689	1.8
335.11920	1.3
337.08020	13.2
338.08490	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0659
Annotation	Isorhamnetin
Peak:m/z	Relative Intensity
51.02388	0.2
60.39791	0.2
65.03949	1.3
67.05510	0.2
68.99810	0.5
69.82557	0.3
69.82964	0.6
81.07070	0.5
83.86084	0.2
87.58080	0.2
92.02636	3.5
93.03408	3.5
94.04195	0.2
95.05019	0.3
98.21470	0.2
105.07065	0.2
109.02898	0.4
111.00824	0.4
117.07013	0.3
119.08660	0.2
121.02882	2.6
122.03636	0.2
126.03134	1.2
137.02373	0.6
137.06026	0.3
139.03896	1.6
145.02855	0.2
145.06589	0.2
149.02299	0.2
150.03160	0.3
151.03923	1.5
152.01027	0.3
153.01842	21.0
155.04924	0.4
161.05940	0.2
162.03125	0.2
163.03937	0.3
165.01848	1.4
165.36362	0.2
166.02516	0.2
170.02316	0.3
173.06042	0.7
177.05515	0.5
179.03462	0.2
183.02942	0.4
183.04414	0.4
187.03905	0.4
189.05463	0.2
190.06305	0.4
192.04179	0.2
193.04561	0.2
200.04710	0.9
201.05511	2.0
203.03407	2.3
211.03934	0.4
217.04977	3.5
218.05762	1.5
219.02972	0.8
228.04202	4.5
229.04982	9.2
230.05611	0.2
231.02919	1.4
239.03365	0.4
243.06583	0.4
245.04478	4.5
246.05240	3.6
256.03665	0.8
257.04486	4.8
257.07120	0.3
260.03189	1.0
261.07605	0.6
271.06064	0.2
273.03952	3.9
274.01721	0.2
274.04755	8.0
284.03146	0.9
285.03979	8.7
286.04709	0.2
287.01987	0.3
288.06293	0.3
299.10574	0.3
301.03506	0.5
302.04242	24.3
303.04678	0.4
317.06583	100.0
318.06970	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.066
Annotation	Isorhamnetin
Peak:m/z	Relative Intensity
65.03939	0.9
68.99786	0.5
69.20324	2.2
71.97731	0.2
81.03420	0.3
92.02641	3.5
93.03427	2.7
94.04205	0.2
95.01353	0.2
98.21514	0.5
105.07016	0.3
107.08570	0.2
111.00829	0.5
119.08591	0.2
121.02886	2.2
122.03667	0.3
123.04445	0.2
126.03166	1.3
131.04921	0.2
137.02333	0.6
137.06006	0.3
139.03914	1.5
149.02332	0.2
149.05997	0.2
151.03909	1.4
152.01028	0.2
153.01849	16.7
154.02205	0.2
155.04936	0.3
161.05998	0.3
165.01898	1.4
166.02592	0.3
173.05989	0.3
177.05585	0.5
179.03435	0.3
183.04417	0.4
187.03944	0.2
190.06294	0.2
200.04701	0.6
201.05481	1.5
203.03413	2.0
205.05096	0.2
217.04979	3.2
218.05838	1.3
219.02925	0.9
225.05402	0.3
228.04195	4.8
228.06459	0.4
229.04988	7.2
230.05460	0.2
231.02899	1.1
239.03380	0.2
243.06612	0.4
245.04501	4.0
246.05315	3.7
256.03769	0.7
257.04504	5.0
260.03302	1.0
261.07532	0.5
268.04248	0.2
271.05887	0.4
273.03992	3.0
274.04742	7.3
284.03046	0.9
285.03989	7.7
285.11087	0.3
286.04538	0.2
287.01938	0.6
301.03415	0.5
302.04254	23.5
317.06598	100.0
318.06833	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0657
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	0.4
57.03434	0.2
65.03943	0.8
67.05518	0.5
67.35339	0.2
68.99803	0.6
69.03436	0.4
69.07069	0.4
69.19052	1.6
79.05495	0.4
79.17005	0.2
81.03385	0.3
81.07061	0.7
83.04968	0.2
85.02916	0.4
85.06548	0.2
88.75887	0.2
91.05495	0.3
92.02627	3.3
93.03410	3.3
93.07041	0.5
95.04976	0.6
95.08604	0.5
97.06541	0.2
98.21535	0.3
103.05451	0.2
105.07041	0.8
107.08617	0.6
109.02945	0.2
109.06540	0.3
109.10184	0.6
111.00799	0.4
117.07018	0.3
119.08586	0.7
121.02873	2.4
121.06525	0.2
121.10156	0.4
122.03660	0.3
126.03176	1.1
128.06229	0.2
131.04892	0.2
131.08578	0.3
133.02856	0.2
133.10130	0.4
133.17909	0.2
135.04454	0.2
135.08064	0.6
137.02362	0.6
137.05980	0.4
137.09688	0.3
139.03906	1.2
139.07442	0.2
143.08623	0.4
145.06529	0.4
145.10149	0.4
147.08078	0.2
147.11697	0.2
149.02406	0.2
149.09602	0.3
151.03972	1.0
151.04976	0.2
152.01076	0.4
153.01837	17.4
155.04930	0.3
157.10103	0.4
159.11699	0.2
161.05997	0.2
161.09621	0.4
163.03891	0.5
163.07520	0.2
163.11237	0.2
165.01834	1.1
166.02638	0.4
171.11691	0.2
173.06017	0.6
173.09651	0.2
175.11203	0.3
176.04616	0.2
177.05573	0.4
179.03444	0.3
183.02879	0.4
183.04391	0.3
187.03934	0.5
187.11151	0.2
191.10667	0.3
192.04257	0.3
200.04651	1.1
201.05501	1.9
203.03403	1.5
204.04369	0.4
205.05084	0.2
213.12691	0.2
217.04977	3.2
218.05757	1.5
219.02907	0.9
228.04160	4.1
229.04967	6.9
231.02840	1.0
232.03809	0.2
239.03429	0.2
245.04474	3.8
246.05223	3.0
256.03592	0.5
257.04459	4.6
260.03131	0.5
261.07571	0.4
271.06006	0.5
273.03937	3.5
274.04730	7.3
284.03119	0.8
285.03955	6.9
286.04749	0.3
287.01962	0.4
288.06451	0.4
299.05505	0.2
299.19882	0.3
301.03552	0.5
302.04227	23.4
303.04614	0.2
317.06567	100.0
317.21021	2.0
318.06921	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0657
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56959	0.2
54.29252	0.2
65.03931	0.6
66.49390	0.2
68.99771	0.3
69.03418	0.3
69.52626	1.0
69.53030	0.4
81.74319	0.2
91.16232	0.2
92.02628	3.3
93.03411	2.4
105.07021	0.2
109.02870	0.4
111.00785	0.2
119.08546	0.2
120.02087	0.3
121.02888	2.0
121.10181	0.2
122.03667	0.3
124.05209	0.3
126.03117	1.2
137.02353	0.6
139.03900	1.6
143.08490	0.2
145.01375	0.2
151.03918	1.2
151.04948	0.3
152.00934	0.3
153.01842	17.3
155.04921	0.4
161.05995	0.4
163.03935	0.5
165.01828	1.2
166.02605	0.3
171.04341	0.2
173.06059	0.6
177.05489	0.5
179.03432	0.2
179.10699	0.2
183.02887	0.3
183.04370	0.4
187.03912	0.4
189.05486	0.2
190.06335	0.3
192.04143	0.2
200.04710	0.6
201.05470	1.8
203.03406	1.6
205.04736	0.3
211.14848	0.3
217.04996	3.2
218.05679	1.4
219.02844	0.5
228.04158	3.7
229.04977	7.3
231.02916	1.4
232.03642	0.3
239.03543	0.3
243.06619	0.4
245.04483	3.8
246.05275	3.7
256.03882	0.5
257.04486	4.8
260.03192	0.9
261.07733	0.6
271.05960	0.4
273.03943	3.5
274.04727	7.3
284.03058	1.3
285.03986	8.1
286.04642	0.2
288.06201	0.4
301.03375	0.3
302.04230	21.6
303.04520	0.2
317.06573	100.0
318.07001	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0639
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	12.9
56.96568	32.9
57.03432	22.9
61.02925	12.4
65.92439	6.9
69.03437	71.3
70.06614	8.9
70.66512	14.4
70.66855	12.1
71.01354	24.4
72.08157	17.2
72.52299	6.6
73.02917	28.7
73.06561	9.1
81.03419	24.3
82.12459	6.7
82.90730	7.1
84.96042	13.3
85.02914	100.0
87.04482	22.6
93.54863	6.6
97.02906	69.1
98.97598	97.3
99.04437	10.7
101.00887	33.0
109.02881	13.4
110.97581	28.7
112.99162	18.0
113.00849	12.6
115.03920	16.1
116.98608	15.8
119.01897	20.1
122.99904	7.8
127.03948	38.0
127.54556	7.3
128.98625	10.6
129.01903	11.9
129.03996	8.7
129.10254	10.4
131.01903	18.8
138.05508	7.0
143.01888	20.2
145.03427	13.2
145.05013	16.3
146.05078	17.5
147.03242	11.4
147.05089	13.1
147.85240	7.6
148.03879	13.3
155.01891	16.8
155.04616	77.3
155.08092	17.2
157.03416	15.5
158.99696	34.3
161.02922	17.5
164.05275	22.0
171.01469	19.7
171.04903	8.4
173.01178	7.2
173.02934	9.3
175.04622	11.6
177.00723	11.2
182.05113	9.2
189.06097	20.9
192.04776	8.5
201.06136	8.6
203.04004	12.5
219.01747	21.7
227.06679	74.5
236.07306	47.7
237.03006	11.4
237.36751	7.4
245.05101	8.2
250.06975	8.7
291.09415	17.7
309.08798	24.2
317.05518	59.9
317.08569	55.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0659
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.1
55.01864	0.1
55.05528	0.2
65.03951	1.0
67.01862	0.2
67.05495	0.2
68.99796	0.5
69.03432	0.3
69.07056	0.1
70.65880	0.4
71.01362	0.1
79.05502	0.3
80.75129	0.2
81.03426	0.2
81.07037	0.2
81.36275	0.1
85.02907	0.3
86.09711	1.0
87.10017	0.2
91.05476	0.5
92.02630	3.1
93.03419	2.8
93.07060	0.3
94.04181	0.3
94.06548	0.2
95.04974	0.4
95.08625	0.3
97.02954	0.2
103.05485	0.2
105.07015	0.3
107.08581	0.3
108.08101	0.2
109.02890	0.3
109.10143	0.2
110.09691	0.4
111.00806	0.6
111.04477	0.2
117.07003	0.2
120.02097	0.1
120.04493	0.2
120.08077	0.4
121.02881	2.2
121.06548	0.2
121.10149	0.2
122.03652	0.3
123.04452	0.4
124.01566	0.2
126.03148	1.2
127.03983	0.2
129.06949	0.1
130.05028	0.1
131.08591	0.1
133.02866	0.2
133.06473	0.1
133.10132	0.2
135.04425	0.3
136.07599	0.9
137.02371	0.9
137.06068	0.2
138.09140	0.5
139.03918	1.4
145.06493	0.3
145.10088	0.2
146.06062	0.7
147.04367	0.3
148.07535	0.2
148.88358	0.1
149.02333	0.2
150.03171	0.3
151.03915	1.7
151.04991	0.2
151.07535	0.2
152.01027	0.2
153.01845	17.5
154.08617	0.3
155.04913	0.3
157.13391	0.4
158.13771	0.1
161.06024	0.3
162.03146	0.1
163.03925	0.5
164.07069	1.0
165.01834	1.1
165.05576	0.3
165.43645	0.1
166.02623	0.3
166.08652	0.6
173.06061	0.4
175.07463	0.1
177.01852	0.2
177.05479	0.4
179.03368	0.3
182.32939	0.1
183.02901	0.3
183.04417	0.3
184.69861	0.1
185.12891	0.2
187.03972	0.2
190.02707	0.2
190.06277	0.2
200.04660	0.8
201.05444	1.8
203.03380	1.6
204.04172	0.2
213.12881	0.2
217.04990	3.0
218.05832	1.4
219.02930	0.8
228.04211	3.5
229.04985	7.5
231.02856	1.2
232.03738	0.2
239.03419	0.3
243.06499	0.3
245.04501	3.8
246.05261	3.2
247.02386	0.3
256.03760	0.5
257.04489	4.6
257.12881	0.3
260.03238	0.7
261.07697	0.7
271.06113	0.3
273.03961	3.5
274.01706	0.3
274.04752	7.3
284.03210	0.7
285.03967	7.9
286.04669	0.2
287.01913	0.3
287.10175	0.3
288.06384	0.3
299.05389	0.1
299.10245	0.9
299.13879	0.6
301.03452	0.5
302.04245	22.3
303.04501	0.3
317.06589	100.0
318.07007	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0506
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.8
55.01874	12.1
57.03440	36.8
61.02927	2.1
67.05515	2.6
68.99811	1.6
69.03430	19.9
69.07087	2.1
69.17638	4.9
69.18055	12.2
70.34583	1.7
71.01360	7.1
73.02929	10.8
79.05517	3.9
80.21747	2.0
80.83087	1.6
81.03443	4.0
81.07074	4.1
83.01353	26.9
83.04993	3.2
85.02911	100.0
86.09685	2.6
91.05486	2.3
93.07045	2.5
95.01316	2.1
95.04987	6.1
97.02902	40.2
97.06538	2.1
98.20719	3.3
101.01819	1.6
101.02377	8.8
103.03947	22.0
104.66225	1.9
107.08584	1.8
109.02856	3.4
111.00803	10.1
111.04457	1.9
111.32497	1.6
112.38360	1.8
113.02354	12.2
122.06000	2.1
123.04447	3.7
125.02380	4.5
127.03948	3.2
131.03412	19.3
135.08072	2.8
137.02324	2.8
137.09673	2.0
138.09143	3.7
139.03989	2.5
141.01918	2.6
149.05974	1.7
153.01881	4.4
155.03391	5.0
156.10205	14.2
159.02902	65.2
163.03825	2.1
183.02878	2.2
185.04468	5.8
187.02394	4.1
197.04494	6.4
201.03908	3.9
215.05643	1.9
225.03976	8.0
227.01891	3.3
243.04939	12.4
271.04517	59.4
271.10706	3.7
275.29349	1.9
287.10187	3.7
289.05569	29.5
299.04007	4.3
299.10132	3.0
302.04086	5.0
317.05743	11.4
317.11472	6.3
317.14951	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	317.0506
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00333	1.5
53.03954	2.1
55.01881	14.4
55.05507	2.4
57.01941	1.7
57.03159	1.8
57.03442	32.8
58.57276	1.4
61.02947	1.9
65.03946	1.5
67.05503	4.3
68.99780	4.5
69.03435	22.2
69.44728	10.8
71.01349	7.0
71.04991	2.2
73.02921	16.2
75.04499	1.7
78.17239	1.5
79.05500	3.9
81.03422	5.7
81.07069	1.4
81.83583	1.7
83.01348	32.4
83.04990	2.9
84.08150	4.3
85.02912	100.0
85.06557	2.2
86.09718	1.8
87.04479	1.8
87.62824	2.2
91.05514	2.5
93.07077	2.8
95.01311	2.8
95.04976	4.0
95.08608	2.3
97.02901	35.8
99.00822	2.4
101.02405	9.1
103.03944	24.2
107.04956	1.9
109.02884	3.9
111.00827	8.5
111.04454	3.4
113.02375	12.9
115.03961	2.5
118.06581	3.5
121.02872	1.7
121.06522	1.5
122.06079	2.9
123.04394	2.9
124.07584	3.0
125.02392	4.3
129.01857	4.7
131.03424	23.6
135.04434	2.0
136.07588	2.5
137.02359	6.1
137.05994	2.2
139.03908	1.7
143.03375	2.1
153.01842	4.4
155.03419	3.0
159.02911	60.4
163.03946	3.2
164.07092	2.9
164.83588	1.6
175.02400	2.9
177.03949	4.2
179.03595	1.7
183.02872	3.5
185.04482	4.8
187.02383	3.4
187.12155	1.8
197.04480	5.3
201.03993	4.9
201.10286	2.7
201.92738	1.8
203.05508	1.7
209.04590	1.9
225.03952	5.2
227.01843	2.1
229.09668	3.8
243.05052	11.7
243.11328	5.7
257.09036	2.1
261.06058	2.7
271.04510	56.6
271.10666	12.9
287.10349	2.1
289.05786	25.5
299.04129	3.5
299.10358	7.4
299.13162	1.6
302.04199	5.1
317.02475	13.7
317.06311	16.3
317.11230	10.5
317.14981	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	316.2848
Annotation	Halisphingosine A
Peak:m/z	Relative Intensity
55.05516	4.6
56.05039	4.1
57.03443	0.4
57.07076	1.5
58.02957	0.5
58.49260	0.3
60.04529	100.0
62.06422	0.3
65.03947	0.3
67.05506	8.5
68.05035	0.7
69.07072	3.9
70.99816	0.5
71.00156	0.3
71.05002	0.3
71.08643	0.8
72.04527	2.2
73.02953	0.3
74.06075	2.2
75.53722	0.4
79.05492	3.3
79.05856	0.3
80.05029	1.2
81.07061	7.6
82.06599	1.7
83.05009	0.4
83.08625	2.9
85.10196	0.5
86.06065	0.6
87.04450	0.6
90.05571	1.3
91.05482	2.4
93.07042	2.7
94.06596	0.9
95.05006	0.5
95.08612	7.4
96.08201	0.3
97.06580	0.4
97.10184	1.3
98.06072	0.5
100.07620	0.6
105.07053	1.2
107.08580	1.7
108.07427	0.3
108.08133	0.6
109.06535	0.3
109.10158	2.5
111.59955	0.3
112.07644	0.5
116.07121	0.4
119.08608	1.2
121.10171	1.4
123.11749	0.9
133.10168	0.6
135.11746	0.6
137.13307	0.5
147.11630	0.4
180.27153	0.3
184.82440	0.3
217.91953	0.3
223.95361	0.3
224.12543	0.3
233.22684	0.4
250.25406	1.0
251.23524	0.5
252.27451	0.3
262.25256	1.6
268.26385	1.0
280.26364	12.7
298.27408	12.0
299.27725	0.3
316.28479	31.5
317.28745	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.2849
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.5
55.01881	0.6
55.05514	4.4
56.05041	3.6
57.03443	0.7
57.07077	2.2
58.02971	0.4
60.04530	100.0
65.03952	0.4
67.05510	8.6
68.05033	0.7
69.03437	0.3
69.07076	5.4
69.85670	0.8
70.02985	0.3
70.06597	0.7
71.05005	0.4
71.08637	0.9
72.04514	2.2
74.06078	2.4
76.28209	0.2
79.05501	3.8
80.05042	0.7
81.03433	0.4
81.07062	8.4
81.07534	0.5
82.06589	1.7
83.04998	0.4
83.08626	3.3
84.04524	0.3
85.10208	0.4
86.06065	0.7
87.04488	0.6
90.05567	1.4
91.05487	2.8
93.07058	2.9
94.06595	1.1
95.04975	0.5
95.07339	0.4
95.07996	0.3
95.08611	6.6
96.08125	0.9
97.06554	0.6
97.10176	1.7
98.06044	0.3
100.07632	0.4
102.05540	0.3
105.07043	1.4
107.08595	1.3
109.06522	0.3
109.10165	3.0
111.08105	0.3
111.11756	0.5
112.07616	0.8
113.05934	0.3
116.07130	0.3
119.08598	0.9
121.10152	1.9
122.09660	0.4
123.08125	0.3
123.11733	1.0
126.09174	0.3
130.08685	0.4
133.10149	0.7
135.11729	1.0
137.13148	0.3
159.63895	0.2
161.13364	0.3
170.19098	0.2
219.21286	0.3
233.22643	0.5
245.22684	0.5
246.75034	0.2
250.25285	1.3
256.26483	0.4
262.25269	1.8
263.23700	0.5
268.26443	0.7
270.28259	0.3
274.77148	0.4
280.26358	12.1
298.27432	12.8
316.28482	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	316.3212
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	1.8
56.05034	1.3
57.07082	14.4
58.06590	0.7
60.04531	36.5
67.05510	3.7
69.07056	1.4
70.06599	15.1
71.08291	0.6
71.08635	7.0
71.51673	0.5
72.04513	0.8
74.06052	0.6
79.05480	1.7
80.81464	0.5
81.07066	3.1
83.08616	1.3
85.10189	4.0
86.06068	0.8
88.07638	24.6
90.05512	0.7
91.05470	1.1
93.07027	1.4
95.04973	0.7
95.08614	2.9
97.06559	0.6
97.10152	1.2
101.52460	0.5
105.07026	0.9
106.08675	28.7
107.08553	0.6
109.10120	0.9
119.08547	0.9
121.10112	1.0
147.11714	0.7
254.28438	0.6
262.25537	0.7
280.26398	4.7
298.27374	4.7
298.31116	1.3
313.24631	0.5
316.28485	12.8
316.32068	100.0
317.32547	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.3213
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	1.3
56.05045	1.8
57.07082	9.0
58.06589	0.8
60.04531	13.3
62.06065	0.7
67.05497	1.9
68.05013	0.4
69.07062	1.3
70.06599	13.2
71.08305	0.3
71.08643	4.3
71.50507	0.4
72.08141	0.4
74.06088	3.4
79.05498	0.5
81.07037	1.6
83.08600	0.8
85.10183	1.4
86.06084	0.3
88.07639	24.8
91.05511	0.5
93.07076	0.5
95.08597	1.5
97.10166	0.4
102.05539	0.7
102.09188	4.5
106.08679	10.6
106.37580	0.4
107.08582	0.4
109.10139	0.7
119.08595	0.4
120.06580	0.5
123.11645	0.4
133.10123	0.7
148.48981	0.3
270.27972	2.2
272.29462	0.6
280.26389	1.7
289.86746	0.4
298.27365	2.7
298.30975	6.0
316.28461	16.3
316.32056	100.0
317.28937	0.5
317.32407	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.0922
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.6
55.01870	7.7
55.05509	7.5
56.96572	54.2
57.03437	21.7
58.37468	2.3
59.04999	9.3
60.02198	2.2
60.95881	2.7
61.02924	9.2
67.05511	5.2
68.02648	2.7
69.03082	4.2
69.03436	49.0
69.07063	9.2
70.06607	24.1
71.01361	34.4
71.04995	14.2
72.08154	19.1
73.02927	20.9
75.04493	4.0
80.05030	2.4
81.03421	11.0
81.07059	2.6
83.01352	3.6
83.04979	6.1
84.04504	5.8
84.08170	12.2
84.96043	17.1
85.02914	64.4
86.09699	5.7
87.04485	7.0
88.03964	3.7
89.10574	2.2
91.05472	4.9
94.06567	4.7
95.01315	4.7
95.04988	5.3
96.01581	3.0
96.04549	2.7
96.08112	3.8
97.02902	54.1
98.97598	100.0
99.04442	13.5
99.97920	5.2
101.02404	5.5
101.06016	3.4
102.96937	2.6
103.03953	4.4
107.04939	4.1
108.01549	3.1
108.04496	5.0
109.02893	7.5
110.01272	5.8
110.06051	7.3
110.97590	31.7
111.00829	2.7
111.04475	13.4
112.99106	5.0
113.02371	10.8
113.06020	3.2
115.03934	5.8
116.07094	10.8
116.98611	29.7
117.05463	2.6
119.01857	7.6
119.04983	3.4
120.64238	2.9
121.02911	4.7
122.06042	3.7
123.04435	4.8
123.06760	3.0
124.03953	19.7
124.07592	8.7
125.06000	3.9
126.05553	12.5
126.07574	2.8
126.97020	3.4
127.03934	14.8
128.02332	5.8
128.06996	2.6
128.98624	24.2
129.01872	11.1
129.05484	3.9
129.10243	3.2
131.00267	5.3
131.01862	7.1
131.03481	3.0
134.99625	4.2
136.07576	20.4
137.05997	7.4
138.05518	5.0
138.09129	3.4
139.01556	2.9
139.03944	5.8
140.07086	7.0
140.98607	3.6
141.01967	3.9
143.00188	9.0
143.01968	2.6
144.98105	5.5
145.01602	5.8
145.04977	8.0
146.02315	3.4
146.04091	4.1
146.99704	7.4
147.03111	6.9
147.04347	2.9
149.00568	7.5
152.07045	6.4
152.98680	3.7
154.02020	4.3
154.04967	28.8
154.08644	22.8
155.04683	17.5
156.06602	4.2
156.98155	5.6
158.99655	27.0
159.03027	4.7
161.01247	7.7
161.02937	3.3
162.05486	3.0
164.07114	2.8
165.05389	2.9
166.02069	3.0
167.07027	4.5
168.06628	3.7
169.03221	8.3
170.99757	12.1
173.01230	6.4
174.99173	10.9
175.02631	11.9
175.04445	7.5
177.00731	15.5
177.02036	2.5
181.03149	6.4
182.03200	3.0
182.99693	5.5
184.97543	4.3
185.01361	3.4
185.02989	2.7
186.99225	6.1
187.02747	6.6
189.00783	6.4
189.02388	3.4
190.04913	5.4
190.06764	3.5
191.03960	3.2
195.02112	2.7
195.04109	12.1
196.03268	3.9
196.04906	23.7
196.55212	3.4
201.00754	11.7
201.04245	3.8
201.12399	3.7
202.98645	7.1
204.04582	3.0
205.03786	4.3
209.02768	3.7
210.04636	5.5
210.07713	4.1
211.05562	3.1
212.06213	9.5
217.00258	3.7
219.01765	17.0
225.07132	9.6
226.06042	3.8
227.06859	3.6
229.03714	3.9
233.06903	5.2
234.07713	4.9
236.07294	3.0
237.02818	19.2
261.06317	3.2
271.04343	4.9
279.07468	16.4
291.07599	3.9
297.08667	3.7
298.09103	7.8
309.08685	8.5
310.09158	3.5
316.07440	3.5
316.08496	3.7
316.10593	27.3
316.13861	13.1
317.08719	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	315.1958
Annotation	15-Hydroxy-6-en-dehydroabietic acid
Peak:m/z	Relative Intensity
51.14446	0.5
53.03938	1.0
55.05504	1.3
59.05006	19.5
65.03936	0.8
67.05507	4.6
69.07065	1.1
69.85886	2.4
70.50167	0.4
79.05505	2.1
81.03410	0.7
81.07071	4.0
83.08631	0.4
91.05480	3.2
93.07039	2.2
95.04978	2.2
95.08618	3.6
97.06543	4.4
103.05427	0.8
104.08446	0.4
104.89365	0.4
105.07011	2.4
106.75880	0.4
107.04907	0.5
107.08592	5.5
109.06517	1.8
109.10118	1.0
111.08086	0.8
113.06015	1.1
115.05436	1.4
117.07035	4.1
119.08576	1.8
121.02871	1.0
121.10146	0.8
123.08064	2.3
124.84497	0.4
125.06003	1.3
128.06229	1.2
129.07011	8.0
131.08580	19.7
133.10136	1.8
135.08107	0.6
137.05978	0.7
137.09705	0.5
139.07541	1.0
141.06960	2.9
142.07782	2.5
143.08571	6.1
145.10141	6.7
145.11197	0.8
147.11659	1.8
153.06984	0.5
153.09137	1.4
154.07780	0.8
155.08566	7.0
156.09328	1.4
157.10135	12.1
157.11334	0.9
159.07889	0.5
159.11726	0.8
161.05988	1.6
161.09656	0.6
165.06987	1.3
167.08513	2.1
168.09364	0.8
169.10132	13.1
170.10857	0.6
170.85448	0.5
171.11691	7.8
173.09583	0.9
173.13213	0.6
175.11179	2.3
179.08566	0.7
180.09384	0.7
181.01321	0.5
181.10109	3.9
182.10930	1.0
183.10078	0.6
183.11691	10.1
184.12460	1.4
185.13266	7.0
189.12706	2.2
193.10170	1.4
195.08075	0.9
195.11702	7.0
196.12428	1.0
197.09645	1.0
197.13290	6.1
198.14043	8.3
203.14166	0.5
207.11668	1.2
209.09839	0.5
209.13292	3.5
211.14844	2.5
215.14313	0.8
219.11647	1.0
221.13313	3.7
222.14021	0.8
223.07564	1.0
223.11188	0.6
223.14827	1.5
231.11713	0.6
235.14726	0.6
236.15608	0.9
237.12872	2.2
237.16399	9.5
239.14336	1.2
240.09120	0.7
246.14204	0.7
251.06953	0.6
251.17978	8.5
255.10265	1.1
255.13829	0.9
261.16397	4.1
265.08578	0.6
267.13766	2.5
269.19125	0.8
279.17465	6.3
282.16150	3.6
283.09665	3.6
297.18512	100.0
298.18927	1.5
315.05063	4.6
315.08667	0.8
315.12177	2.0
315.19525	5.3
315.23199	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.196
Annotation	15-Hydroxy-6-en-dehydroabietic acid
Peak:m/z	Relative Intensity
53.03953	0.8
55.01876	1.0
55.05512	1.8
57.03447	0.7
58.51158	0.6
59.05009	21.9
65.03941	1.1
65.13109	0.6
67.05523	5.3
69.03422	1.4
69.07058	2.3
70.06583	0.6
70.96290	1.4
79.05485	2.4
81.03429	0.7
81.07074	6.2
83.04978	1.0
83.08614	0.9
85.06535	1.1
91.05084	0.5
91.05501	6.2
93.07057	3.9
95.05003	2.9
95.08620	5.0
97.06535	5.0
99.04475	0.6
103.05471	1.3
105.07050	5.8
107.08611	5.8
109.06518	2.0
109.10170	1.8
111.08092	0.9
113.06051	1.6
115.05412	1.5
117.07046	5.9
119.08587	2.6
121.06543	1.4
121.10143	1.5
123.04462	1.2
123.08079	1.6
125.05999	1.7
128.06232	2.2
129.07030	8.8
131.04924	2.5
131.08588	22.3
133.06477	1.1
133.10136	3.5
135.08047	1.7
135.11647	0.8
136.07704	0.6
137.05965	2.1
139.07565	0.8
141.06966	3.9
142.07811	2.4
143.08554	7.1
145.10123	8.3
146.03601	1.0
147.08055	0.7
147.11681	2.8
149.09711	0.7
151.03972	0.6
151.11235	0.7
152.06264	0.7
153.07037	1.5
153.09148	1.8
154.07777	2.0
155.08566	5.9
156.09319	1.4
157.10146	15.8
159.07948	0.9
159.11700	3.9
161.05949	4.2
161.09583	0.9
161.13245	1.0
165.07039	2.6
165.09026	0.8
166.07834	0.8
167.08595	2.9
168.09387	1.4
169.10143	13.7
171.11729	9.3
173.09650	1.2
173.13232	0.9
175.11174	2.9
177.07002	1.0
179.08565	1.8
181.06523	1.0
181.10098	3.8
183.08084	0.7
183.11690	11.1
184.12479	2.9
185.09657	0.7
185.13271	7.6
187.11162	1.3
189.12758	2.5
193.10114	1.6
194.07278	2.0
194.10965	0.7
195.08087	2.8
195.11659	6.8
197.09648	1.5
197.13300	6.9
198.10452	0.7
198.14104	7.4
199.08707	0.7
199.11179	1.0
199.14769	0.6
207.11702	1.2
208.05304	1.7
209.13313	3.9
210.45633	0.7
211.07599	1.2
211.14832	3.3
215.14282	1.3
219.11746	0.9
221.13289	3.2
222.06726	1.0
222.13928	0.9
223.07587	3.9
223.11356	0.9
223.14847	2.2
224.08319	1.3
235.14948	0.7
237.09161	2.1
237.12822	3.0
237.16409	8.9
239.07140	0.9
239.14331	0.9
240.07875	2.3
241.08815	0.8
251.06998	1.4
251.14291	0.7
251.15584	0.9
251.18010	9.1
254.09494	0.8
255.10147	3.8
255.13835	1.2
261.16498	3.7
265.08694	1.4
267.13800	3.2
269.08209	1.8
269.12814	0.9
269.19086	1.3
279.17493	8.4
279.20621	1.1
282.16162	4.0
283.09668	11.8
284.10477	1.7
297.11478	2.3
297.18539	100.0
298.18875	2.1
300.09726	1.1
315.04996	2.9
315.08740	2.8
315.12259	8.0
315.19568	9.2
315.23276	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	9.9
57.03443	22.5
57.07082	69.8
59.04988	1.0
67.05182	1.1
67.05516	14.5
69.07069	13.1
69.09975	0.8
69.87869	0.7
71.04970	0.9
71.08640	43.5
71.29327	1.5
71.29674	1.2
79.05492	1.6
79.68504	0.8
81.07067	18.9
83.08624	13.1
85.06562	1.2
85.10192	21.7
89.06026	3.3
91.03646	0.8
93.07066	1.4
93.57137	0.8
95.08620	24.6
97.10188	6.8
99.08044	0.8
99.11777	1.2
103.07599	1.7
107.08659	1.3
109.10167	13.4
111.11715	1.7
121.10107	1.5
123.11707	4.3
124.93562	0.9
125.13281	1.5
127.11111	1.1
137.13264	2.2
139.11122	0.8
151.14839	1.0
198.47975	1.0
231.33386	0.8
234.82614	0.8
239.23740	4.5
240.78528	0.8
257.24814	7.2
313.27402	100.0
314.27582	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.3419
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	0.5
57.07080	8.1
58.06604	1.5
62.05804	0.2
62.06094	3.4
64.19910	0.1
70.60288	0.2
70.80442	0.4
70.80775	0.2
71.08634	3.5
72.08161	1.4
74.06088	0.3
85.10192	0.8
98.19356	0.2
107.04977	0.2
120.01247	0.2
125.51944	0.2
136.06218	0.2
141.36038	0.2
142.35953	0.2
156.17484	1.7
170.19034	0.2
172.16954	0.4
174.18550	5.2
184.20604	1.8
200.20091	0.3
202.21681	5.1
208.12927	0.2
250.40637	0.2
268.88239	0.2
270.31509	0.4
296.33136	1.3
298.10870	0.4
299.11578	0.2
314.13971	1.0
314.34177	100.0
315.16553	0.2
315.34546	1.3
329.59964	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1804
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03964	8.8
55.01863	23.8
55.05507	52.4
57.03429	32.1
59.04989	9.7
59.24641	7.0
61.02924	21.8
67.05499	30.3
69.03435	34.8
69.07063	32.2
70.42467	22.2
70.42846	11.2
71.05003	61.1
72.08168	10.4
73.02911	29.8
74.85255	8.0
79.05483	31.7
81.03426	24.2
81.07053	39.1
83.04991	17.4
85.02920	65.3
85.06557	13.5
87.04432	9.0
91.05502	63.0
93.07051	72.6
95.04965	28.9
95.08611	33.5
97.02895	25.3
97.06514	18.2
98.06048	13.3
99.04497	8.2
103.03940	14.7
105.07037	77.4
107.04942	21.9
107.08611	50.4
109.06524	44.1
109.10171	20.7
110.06065	8.8
111.08072	14.1
115.03941	12.8
117.05586	7.5
117.07030	13.5
119.08578	64.8
121.06473	21.1
121.10126	20.2
123.04457	11.5
123.08044	36.8
124.07642	11.1
129.05481	13.5
129.07043	8.9
130.07858	7.4
131.04976	8.7
131.08554	35.3
133.04973	32.7
133.06485	17.3
133.10133	9.5
135.08090	22.2
135.11703	38.8
135.83179	7.2
137.05994	28.9
137.09581	14.2
138.09090	9.9
139.07573	13.0
143.08597	11.9
145.10115	21.5
147.08061	30.8
147.11722	16.1
149.09637	17.4
151.07535	11.1
151.11201	15.8
153.12750	11.8
158.07233	7.7
159.08049	16.0
159.11728	14.6
161.06042	17.6
161.09569	9.3
163.11235	21.5
165.12769	100.0
171.08046	9.9
173.09622	33.0
173.13220	15.6
176.28995	6.5
177.06931	9.4
177.12724	27.5
182.11787	19.5
183.10161	7.6
183.12048	34.0
189.12766	18.0
195.08122	9.4
201.12849	12.7
211.11517	8.5
219.13965	13.8
223.07588	8.4
224.47107	8.3
228.12286	9.1
229.12645	22.0
237.09123	11.1
243.13840	13.5
255.10176	15.5
261.14862	17.7
265.08728	7.3
279.16006	16.4
283.09680	22.1
297.12088	8.1
297.17038	8.9
315.05029	7.5
315.12601	33.5
315.18112	21.8
316.13742	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	313.1799
Annotation	Yakuchinone A
Peak:m/z	Relative Intensity
50.19662	0.9
53.03941	1.9
55.01873	2.2
55.05497	2.6
57.07064	1.0
58.05259	1.0
59.04721	1.3
59.05004	23.9
59.88847	1.0
61.42305	1.0
67.05505	9.1
69.03431	2.4
69.07059	3.0
69.34032	8.3
71.04974	2.7
75.47195	0.9
79.05495	9.1
81.03407	1.1
81.07058	14.7
83.04967	1.7
83.08637	1.0
85.06535	2.1
91.05486	17.1
93.07045	21.5
95.04935	1.7
95.08613	9.8
97.06533	5.2
98.20786	2.3
103.05460	2.3
105.07034	14.5
107.04937	2.9
107.08592	9.7
109.06514	3.1
109.10167	3.5
111.04389	1.4
111.07350	1.0
111.08072	6.3
113.05988	1.1
115.05450	3.2
117.07003	7.9
119.04958	1.5
119.08577	9.3
120.08119	2.9
121.02846	1.2
121.06500	2.9
121.10147	4.0
123.08082	1.8
123.11712	0.9
125.05981	3.9
125.09583	1.0
128.06241	4.8
129.07027	9.1
130.07797	1.7
131.04929	2.9
131.08572	10.8
133.06523	2.5
133.10121	7.9
135.08052	7.5
135.11745	1.0
136.07530	1.0
137.05991	4.8
139.07559	8.6
141.07019	3.1
142.07782	4.0
143.08560	11.7
145.10139	13.8
147.08047	1.7
147.11696	2.6
149.06029	1.4
149.09625	1.8
151.03984	1.0
151.07507	3.7
153.07062	1.1
153.09120	2.8
154.07809	1.6
155.08586	6.2
156.09341	2.6
157.06566	1.5
157.10126	12.7
159.08032	1.8
159.11671	3.9
161.09627	5.9
163.07555	1.6
163.11180	2.2
165.07016	3.2
166.07846	1.3
167.08539	4.9
169.10129	4.6
170.10875	2.7
171.08093	1.1
171.11681	11.6
173.09683	1.6
173.13272	1.5
175.11206	10.4
178.07748	2.0
179.08545	4.7
180.09357	1.7
181.06520	2.4
181.10149	5.2
183.11710	4.4
185.09662	1.0
186.10463	1.1
187.11217	1.1
189.09123	1.8
189.12756	13.1
191.08659	1.6
191.10596	1.2
192.09361	3.0
193.10222	5.7
194.10933	2.5
195.11688	4.1
196.12523	1.2
197.09665	1.2
201.12762	2.3
205.10083	1.4
207.11682	5.6
209.05963	1.6
209.11656	2.2
209.13361	8.6
211.11151	1.3
213.12794	1.4
219.11684	2.4
221.09634	1.8
221.13295	3.8
225.09055	1.8
225.12758	1.4
227.07031	1.5
234.14113	1.5
235.11200	2.3
235.14795	4.7
237.12718	3.1
249.16527	5.7
251.17929	1.1
252.07690	2.4
253.08621	2.6
253.12408	2.4
253.15865	10.5
265.12228	3.6
267.10132	1.9
267.13879	1.7
267.17572	2.8
269.07861	1.1
270.08969	1.1
277.15826	3.6
280.14658	3.8
285.11172	1.3
295.06662	0.9
295.16962	18.2
295.28259	1.8
296.96457	1.0
298.08286	1.2
298.15637	1.3
313.07062	3.3
313.10754	12.2
313.14856	3.9
313.17990	100.0
313.21304	4.5
314.14365	1.2
314.18234	2.3
320.73788	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.18
Annotation	Yakuchinone A
Peak:m/z	Relative Intensity
51.53687	0.5
53.03944	0.9
55.01876	0.7
55.05508	3.6
57.03438	0.7
57.07072	1.0
59.05002	17.7
61.65644	0.5
65.03931	1.4
67.05506	7.0
69.03425	1.1
69.07076	3.3
69.79306	1.5
69.79720	2.3
70.06583	0.6
71.05003	3.5
75.06855	0.6
77.03912	0.6
79.05063	0.9
79.05494	10.2
80.71935	0.5
81.03442	0.8
81.07058	17.1
83.04966	1.8
83.08601	1.5
85.06541	1.9
91.05485	17.3
93.06487	0.9
93.07050	16.2
95.04982	2.9
95.08617	8.7
97.06543	2.8
98.20779	0.7
99.04448	1.9
99.08070	1.3
100.11257	1.8
103.05456	1.2
105.04527	0.7
105.07036	14.3
107.04946	2.3
107.08590	8.5
109.06513	2.0
109.10149	2.4
111.04424	1.2
111.08076	5.3
115.05460	2.3
117.07026	7.9
118.24668	0.6
119.04931	2.1
119.08581	7.4
120.08127	1.0
121.06505	4.2
121.10139	3.6
121.72837	0.6
122.03640	0.9
123.08065	1.6
123.11717	0.7
125.05981	4.8
125.09574	0.6
128.06224	3.8
128.07024	0.7
129.07014	8.6
130.07800	1.3
131.04932	1.1
131.08580	11.8
133.06488	2.1
133.10147	7.7
135.08089	1.5
135.11662	1.4
137.05992	7.7
137.09602	1.0
139.07535	8.2
141.07014	3.4
142.07808	4.3
143.08580	11.6
144.13774	0.9
145.06462	1.9
145.09052	1.2
145.10135	16.2
147.08020	1.7
147.11673	1.6
149.05956	1.2
149.09634	0.9
149.13327	0.8
149.69273	0.8
151.07555	8.1
153.07033	1.1
153.09126	1.7
154.07791	1.0
155.07172	0.9
155.08556	4.4
156.09363	2.2
157.06500	1.8
157.10141	12.4
158.10860	1.0
159.08110	0.7
159.11702	4.0
161.06009	1.0
161.09615	4.4
163.07549	2.6
165.06985	3.1
166.07672	1.2
167.08539	4.3
167.10730	0.7
169.10107	3.8
170.10915	1.7
171.11710	9.1
173.09653	1.0
173.13284	0.9
175.07620	0.7
175.11200	9.6
177.12492	1.0
178.07785	1.3
179.08543	3.4
179.10751	0.7
180.09319	1.2
181.06564	1.1
181.10168	4.0
182.15399	1.2
183.11676	4.7
185.13274	2.2
187.11253	0.7
189.09178	4.4
189.12747	9.2
191.08559	1.2
191.12282	1.3
192.09309	2.1
193.10136	4.8
194.10880	3.1
195.08121	1.1
195.11751	2.9
197.13222	1.4
199.11232	0.7
201.12790	1.4
205.10146	1.6
206.10915	1.5
207.08020	0.8
207.11725	5.4
209.05969	1.0
209.09618	1.2
209.13306	7.9
210.06770	1.1
210.14894	1.9
211.11362	0.6
211.14639	1.1
213.12862	0.6
215.17937	2.3
219.08162	0.9
219.11754	3.5
220.12447	0.8
221.06017	1.5
221.09555	0.7
221.13232	3.4
223.11067	0.7
223.14903	0.8
224.08377	0.8
225.09103	1.5
225.12610	0.7
225.16402	0.8
227.07085	0.7
234.14246	1.3
235.11084	1.9
235.14874	5.4
237.09052	0.9
237.12741	2.7
237.16388	1.0
237.34363	0.6
240.67487	1.5
249.09026	0.6
249.16406	4.9
251.17958	2.5
252.07790	2.1
253.08658	2.0
253.12045	1.8
253.15884	1.7
255.06511	1.2
255.13879	1.2
257.11896	0.8
264.07559	0.6
265.12131	2.2
267.13754	1.5
267.17355	2.9
269.08215	0.8
270.08679	0.8
271.20215	1.0
277.16058	3.4
277.18845	0.9
280.14505	2.0
281.08032	0.8
281.10782	1.0
283.13141	1.1
285.11414	1.2
285.18509	0.8
295.09769	1.1
295.17017	12.9
295.20496	2.0
298.08322	0.9
298.15601	0.9
313.11011	7.8
313.14505	5.3
313.17984	100.0
313.21338	4.5
314.18301	1.8
317.50418	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1434
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76114	0.5
51.02356	0.6
53.03939	1.1
59.04974	0.5
60.86705	0.5
65.03934	1.5
67.05500	1.6
69.03414	0.8
69.07059	0.7
69.41682	2.2
69.42107	1.4
71.87289	0.5
75.76558	0.4
77.03940	0.6
79.05494	2.3
79.62429	0.5
80.06252	0.5
81.07041	2.1
86.64068	0.5
91.05483	37.3
93.07028	1.6
94.04167	2.6
95.04454	0.7
95.04984	6.9
95.08598	1.5
97.06453	0.5
98.20789	1.1
101.17838	0.5
103.05472	3.1
105.07032	2.4
107.04948	3.1
107.08604	0.9
108.05711	0.7
109.06551	2.8
109.10179	0.9
115.05451	1.9
117.07011	1.1
119.04949	22.8
119.08584	0.7
121.06516	0.8
122.03658	5.1
123.08028	0.6
125.05939	0.5
128.06224	8.2
129.07007	21.5
131.04918	3.0
131.08559	2.2
132.05708	0.6
133.06464	1.2
133.10100	0.7
135.04366	0.6
135.08040	1.0
136.05202	4.3
137.05984	66.3
138.06363	1.2
139.07539	1.0
141.06958	0.6
143.04915	0.6
143.08569	1.1
145.06477	3.2
145.10121	0.8
146.07285	1.0
147.08070	1.1
149.06004	1.4
151.03918	1.4
151.07550	100.0
152.06178	0.5
153.06995	0.7
155.06059	1.3
155.08542	0.5
156.05705	1.9
157.06496	14.0
157.10127	0.8
159.04396	0.6
160.05185	0.8
161.05980	2.0
161.09628	1.7
163.07581	2.8
165.07030	2.6
167.08522	0.9
169.06525	0.7
174.06767	11.7
175.07561	6.4
175.11127	0.9
176.08340	1.1
177.09148	1.2
178.07774	4.4
179.08501	1.1
181.06497	1.0
181.10138	0.5
182.07172	0.6
183.08119	0.5
189.09119	55.9
190.09657	0.7
191.08554	1.0
191.10551	0.5
192.09293	2.0
193.06509	1.4
193.10150	5.0
195.08131	0.7
197.05907	1.3
199.07620	0.5
199.11179	0.6
202.07771	1.3
203.08563	2.4
203.49818	0.6
206.07262	1.1
207.08252	0.6
207.11807	0.5
209.06067	0.6
210.06738	2.0
210.10341	0.7
211.07608	1.0
212.08414	0.6
219.08058	0.6
220.08870	1.5
221.06175	0.7
221.09636	9.5
223.07654	0.8
224.08260	0.9
225.09090	1.5
231.08167	1.4
233.09509	0.5
234.06856	0.7
235.07637	0.7
235.11145	0.9
237.05470	1.2
237.09126	1.5
238.06116	0.7
238.09970	1.2
239.06844	0.6
241.08607	1.2
249.09106	6.6
253.08707	1.0
253.12260	11.3
255.10228	0.6
263.10736	1.4
266.09360	1.4
269.08090	3.2
272.10455	1.6
281.08118	2.1
281.11771	8.8
284.10516	1.5
285.11279	0.8
295.16876	0.9
313.10971	2.2
313.14386	32.7
313.17957	4.1
313.21646	1.2
314.14551	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.8
55.01876	1.8
55.05507	0.8
56.96301	0.5
56.96568	9.4
57.03442	6.0
59.04998	1.0
61.02928	5.0
62.86588	0.3
64.82634	0.3
67.05506	0.7
69.03435	14.8
69.07063	0.8
69.49048	0.8
69.49461	1.3
70.03761	0.8
70.06611	1.5
71.01362	12.1
71.05001	2.1
71.95243	0.6
72.08144	1.0
73.02921	4.8
75.18043	0.3
81.02988	0.4
81.03425	5.7
81.04530	0.3
83.01351	0.6
83.04963	0.5
84.04500	0.5
84.08138	1.3
84.96036	3.8
85.02914	22.7
85.06521	0.4
86.03230	0.9
86.09716	2.7
87.04474	4.2
91.03967	1.7
91.05476	0.5
93.07068	0.5
94.06559	1.3
95.01342	0.4
95.04968	0.5
95.06135	0.4
96.01583	0.5
97.02898	14.8
97.96785	0.4
98.03214	0.8
98.06073	0.3
98.97590	21.3
99.04470	2.9
99.97903	0.5
101.00864	1.9
101.02393	0.9
102.00945	0.6
102.96945	0.4
103.03939	0.7
105.07010	0.9
106.06586	0.4
107.04964	0.7
107.07327	0.3
109.02872	2.5
109.06415	0.6
110.01292	0.5
110.07153	1.0
110.97583	6.0
111.04423	0.8
111.05554	0.4
112.07599	0.3
112.99164	0.7
113.00879	1.6
113.02384	3.3
114.01006	0.4
115.00665	0.6
115.02419	0.6
115.03945	1.0
116.98625	7.6
117.05774	7.5
117.07035	0.4
118.01091	0.4
118.06546	6.6
119.01904	3.2
119.04948	0.4
120.02020	1.0
121.06387	2.1
122.06013	0.4
122.09678	0.8
123.04437	0.5
123.52637	0.3
124.99142	0.5
125.02366	0.3
126.97073	0.6
127.00629	0.3
127.03929	4.6
128.02327	0.5
128.04225	0.4
128.64644	0.3
128.98619	5.1
129.00366	0.3
129.01932	1.1
129.67511	0.3
131.00175	1.1
131.01921	3.5
132.02025	1.3
132.05566	1.4
132.08101	50.1
133.01709	0.8
133.03424	0.6
133.05119	0.3
133.07570	0.4
133.08855	1.5
134.06030	0.6
134.09654	6.7
134.99657	1.6
136.07520	0.4
137.05901	0.4
138.05513	0.5
138.06610	0.7
139.03970	0.3
139.07426	0.7
140.02333	0.9
140.98610	0.8
141.01859	0.5
143.00211	1.9
143.01929	2.2
144.02013	1.1
144.98077	0.9
145.01625	1.1
145.03481	1.4
145.04971	2.6
146.02338	0.4
146.99672	2.4
147.01402	1.5
147.03242	0.6
148.07605	1.3
149.01195	0.4
149.02908	0.6
149.07106	0.8
149.08296	0.5
150.05510	1.8
150.09149	100.0
151.09482	1.2
152.98637	0.4
153.05756	1.0
155.00093	0.7
155.01904	1.4
156.01927	0.4
156.98157	0.8
157.01675	0.4
157.03458	1.1
158.99673	4.4
159.01407	0.9
159.03128	0.9
160.00169	0.4
160.01619	0.4
161.01195	1.5
161.02957	2.2
161.04660	1.1
162.03122	0.8
162.09123	0.6
162.99121	0.7
163.02783	0.4
168.03685	1.0
168.05396	0.5
168.98097	0.7
169.03432	0.5
170.05234	1.9
170.99677	2.8
171.01244	0.6
172.97661	0.4
173.01241	1.0
173.02968	1.8
173.06592	0.4
174.03194	0.6
174.99110	1.7
175.02637	2.7
175.04308	0.5
177.00719	3.1
177.04350	1.5
177.06654	0.5
178.06938	1.0
179.02225	0.6
182.03401	2.1
182.99719	0.6
185.02931	0.9
185.06702	0.5
186.03050	0.5
186.99153	1.0
187.00870	1.5
187.04509	0.4
188.01137	0.4
189.00735	2.1
189.02315	0.8
189.04126	0.4
190.95403	0.6
191.03900	1.3
192.04710	0.4
195.05437	0.3
195.54015	0.5
196.03137	1.3
196.97647	0.4
197.01312	0.5
197.02969	0.7
198.99196	0.6
199.00877	0.4
199.02672	0.4
199.04567	0.5
201.00742	1.5
201.02441	0.5
201.04240	0.7
202.98613	0.6
203.02310	0.5
203.04031	1.0
205.00241	0.5
207.01659	0.4
212.04381	3.2
213.00780	0.9
214.98671	0.9
215.02313	0.8
215.07736	0.7
217.00394	0.7
217.03691	0.6
219.01775	5.2
221.05145	1.0
222.04955	0.9
223.00995	0.4
229.00143	0.8
231.05290	0.8
231.56831	0.6
232.99663	0.9
237.02806	5.5
242.05508	1.4
245.07037	0.6
247.04753	1.2
256.99759	0.5
261.02878	1.3
275.00803	0.4
277.05560	1.5
279.03976	1.6
282.01862	0.4
291.07782	0.4
293.10907	0.8
294.10907	1.1
305.10760	0.5
309.08594	1.0
310.09012	0.6
312.14444	92.2
313.09668	1.4
313.14743	1.2
321.01617	0.4
321.08539	0.6
330.01639	0.4
330.07224	0.4
331.03412	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2585
Annotation	2-(5-Methoxy-5-methyltetrahydro-2-furanyl)-6,10-dimethyl-5,9-undecadien-2-ol
Peak:m/z	Relative Intensity
53.03957	1.7
55.01872	1.9
55.05520	64.0
57.03446	25.8
57.07085	30.9
57.19506	0.8
59.70827	0.8
67.05183	0.9
67.05516	10.7
69.07079	72.8
71.05013	1.1
71.08641	18.8
73.02909	1.4
73.06574	0.8
79.05494	6.7
81.07066	14.0
83.04943	1.1
83.08632	56.9
85.10204	7.9
91.05478	1.1
93.07047	8.2
95.08620	8.7
97.06554	6.2
97.10186	45.0
98.20730	1.8
107.08625	7.0
109.10163	4.7
111.04507	0.9
111.08097	2.6
111.11741	12.3
115.07616	0.9
117.31282	0.9
121.10160	9.1
123.11663	1.6
125.09651	2.4
125.13303	2.6
135.11728	5.6
137.13293	1.6
139.11179	2.3
147.12976	0.8
149.13260	2.8
153.05426	1.0
153.12743	1.0
163.14925	1.0
199.81607	0.8
209.11734	2.0
219.21153	1.7
237.11308	2.7
237.22079	1.1
295.33023	1.0
311.25848	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2217
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
53.03942	5.4
55.01861	9.8
55.05504	28.7
57.07059	4.8
65.03937	5.7
67.05181	5.7
67.05506	71.8
69.03401	7.0
69.07081	36.6
70.60689	5.8
70.61024	8.5
71.04976	7.1
75.56454	3.7
79.05148	3.7
79.05500	44.6
81.03400	9.2
81.07055	81.8
83.04966	12.0
83.08624	22.7
85.06508	6.9
91.05483	53.4
93.07047	49.6
95.04964	14.7
95.08603	49.1
97.06494	16.5
97.10147	16.3
99.08089	6.5
103.05448	4.7
105.07034	53.0
107.04955	6.7
107.08593	42.3
109.06496	9.1
109.10140	30.0
111.08083	6.1
117.06989	14.9
119.08582	40.7
121.06452	9.6
121.10123	17.4
123.08076	9.8
123.11706	10.2
125.09625	17.8
129.07004	8.2
131.08559	22.5
133.10124	38.5
135.08090	8.9
135.11658	17.4
137.05934	13.0
137.09595	13.1
139.11147	4.4
143.08571	6.5
145.10118	18.8
147.11661	16.1
149.09608	15.3
149.13254	12.7
151.11160	11.1
155.08495	4.1
157.10100	8.4
159.08162	3.9
159.11748	19.1
161.09608	4.5
161.13277	9.0
163.11208	10.1
169.10095	5.5
171.11644	5.3
173.11789	6.9
173.13206	9.3
177.12694	5.4
183.11699	5.3
187.07579	4.5
189.11227	9.0
207.13657	4.7
219.08096	5.3
229.19670	4.8
235.16945	4.9
237.11241	5.7
240.91364	4.9
247.20706	4.3
251.10675	11.7
257.18945	15.5
275.20081	100.0
279.10300	7.4
293.20920	23.9
311.05420	18.0
311.09033	5.5
311.12939	12.2
311.16690	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2219
Annotation	Porrigenic acid
Peak:m/z	Relative Intensity
50.84697	1.6
55.01872	3.6
55.05509	17.3
57.00949	1.8
57.03434	5.7
57.07084	22.8
61.36586	1.6
67.05508	17.5
69.07076	15.8
71.01373	1.6
71.08630	12.6
71.51488	1.9
79.05495	11.9
81.03414	2.7
81.07075	14.8
83.04991	7.0
83.08637	9.6
91.05480	6.2
93.07043	13.0
95.04972	3.1
95.08617	13.9
97.06561	3.3
97.10180	8.2
99.08080	6.6
105.07021	6.4
107.04974	6.1
107.08602	5.9
109.02880	3.2
109.06511	2.6
109.10152	4.8
111.04453	15.8
111.08100	2.8
117.06999	2.2
119.08582	3.0
121.06534	3.8
121.10155	9.3
123.11708	2.3
125.05981	5.1
125.09583	2.7
131.08594	3.2
133.10155	2.9
135.04445	3.6
135.11711	5.9
136.07870	1.5
145.10097	3.0
149.09668	3.2
153.05502	14.3
157.10167	2.2
159.11696	3.3
161.09648	1.8
163.03876	2.0
163.11171	4.3
165.12747	4.3
171.11742	1.9
173.13298	1.7
181.04999	3.7
181.12192	3.4
191.10721	8.7
195.11739	2.0
209.09767	3.6
209.11752	70.0
237.08839	2.9
237.11223	59.1
255.12314	11.0
275.20090	5.7
293.17850	4.6
293.21118	100.0
311.05502	6.9
311.25897	18.7
311.31244	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	311.2218
Annotation	Porrigenic acid
Peak:m/z	Relative Intensity
54.87909	2.8
55.01875	18.4
55.05516	27.1
57.03424	10.1
57.07081	31.7
65.20444	2.8
67.05515	32.4
69.07076	28.1
71.08640	6.9
71.51571	4.8
79.05499	18.4
81.07058	34.7
83.04978	7.6
83.08609	13.8
85.06525	3.9
91.05487	21.3
91.64883	2.8
93.07030	22.6
95.04961	7.7
95.08614	29.0
97.06532	6.7
97.10167	9.3
99.08067	5.0
105.03388	6.2
105.07040	10.2
107.04950	8.4
107.08603	13.1
109.06519	5.3
109.10188	15.4
111.04427	14.7
111.08077	5.8
117.07022	4.6
119.08583	8.5
119.58620	3.4
121.06508	5.1
121.10147	15.0
123.08013	6.7
125.05975	13.2
125.09621	20.4
131.08566	6.7
133.10062	7.1
135.04425	100.0
135.08095	6.8
135.11688	9.7
137.09613	7.3
139.11145	5.6
145.10123	6.6
149.13310	5.0
151.11151	8.9
153.05495	12.6
153.12720	4.9
157.10074	3.2
159.11638	3.5
161.09596	44.0
163.11211	5.0
167.10712	3.7
173.09694	4.2
173.13132	3.9
177.12721	8.5
181.04915	3.4
181.12230	10.9
191.10603	8.0
209.11714	63.6
209.94318	3.0
237.11259	42.9
247.20650	6.3
255.12228	10.6
257.18961	5.7
275.20145	15.5
293.17865	4.7
293.21133	12.3
311.05310	6.7
311.16302	5.9
311.26025	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	311.222
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
53.03937	5.2
55.01878	10.6
55.05513	18.3
56.43449	1.9
57.03429	6.5
57.07082	22.9
62.77320	2.0
67.05511	47.6
69.07076	20.2
70.01318	3.6
70.01727	5.9
71.04997	4.8
71.08629	2.3
79.05504	18.9
81.03410	8.4
81.07063	32.2
81.96178	1.8
83.04990	11.1
83.08607	7.9
85.06542	3.9
85.10170	3.7
88.28133	1.8
91.05476	12.8
93.07046	21.9
95.04955	5.7
95.08617	100.0
96.08900	1.8
97.06563	9.7
97.10181	5.0
105.07063	10.3
107.04970	4.8
107.08617	9.9
109.02860	2.1
109.06528	3.2
109.10170	15.7
111.04417	11.8
111.08096	4.1
113.06009	2.2
113.09647	4.1
117.07066	2.9
119.08578	8.6
121.10161	7.8
123.08072	6.4
123.11745	3.0
125.00704	1.9
125.05982	3.6
125.09645	7.0
131.08603	5.2
133.10139	5.7
135.08130	3.2
135.11696	6.8
137.09686	2.3
141.09105	10.4
145.10156	3.9
147.11623	1.9
149.13309	2.4
151.11198	5.3
152.86852	1.9
153.05498	9.1
153.12711	2.6
159.10191	31.0
159.11594	3.7
161.13280	2.0
163.11246	3.3
165.12784	7.7
169.12282	3.0
173.13483	2.2
177.12817	2.7
181.12262	4.1
183.11919	2.0
191.10677	5.2
195.13829	2.9
209.11748	50.0
237.11249	39.5
247.20572	4.1
255.12370	8.4
265.21658	61.9
266.21869	2.1
275.19983	6.1
293.17633	1.9
293.21173	3.5
311.05545	4.3
311.22214	6.8
311.25757	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	311.2218
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
52.60339	3.0
53.03959	3.1
55.01851	5.2
55.05514	40.2
57.03429	14.4
57.07084	30.3
67.05510	46.2
69.07082	32.0
71.04998	4.8
71.08629	22.1
71.51546	5.3
75.09547	3.2
79.05504	19.9
81.07063	43.9
83.04990	9.4
83.08620	26.1
91.05486	12.4
93.07056	31.4
94.01427	2.9
95.04967	6.3
95.08624	34.9
97.06529	10.7
97.10171	20.6
99.08092	8.1
105.03407	4.3
105.07042	11.5
107.04951	8.6
107.08600	14.0
109.02893	3.6
109.06567	3.4
109.10171	15.3
111.04435	18.6
111.08050	4.7
111.11683	3.3
113.06004	3.7
119.08595	11.3
121.10165	25.2
123.11730	7.5
125.09636	7.9
129.05403	3.8
131.08536	7.1
133.10132	6.0
135.11693	10.0
137.09627	4.1
137.13245	3.5
139.11185	3.6
141.09119	3.9
144.95602	3.6
145.10172	6.4
147.11702	5.2
149.02335	4.1
149.13274	4.0
153.05461	14.7
159.11679	3.9
163.11159	3.8
173.13286	3.7
181.12241	8.6
189.11214	4.4
191.10701	10.1
191.14247	3.7
197.13486	2.9
197.15584	3.5
201.16319	4.6
209.11732	90.8
219.17459	6.9
229.41969	3.0
237.11241	65.3
237.22118	3.3
255.12291	9.8
275.20096	13.3
293.17865	7.6
293.21127	100.0
311.05475	14.5
311.25986	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	311.1644
Annotation	Nafenopin
Peak:m/z	Relative Intensity
55.01852	1.0
55.05498	3.0
57.07077	0.8
58.68508	0.8
59.05014	11.4
65.03949	1.0
67.05509	6.7
69.03422	2.6
69.07062	2.9
71.05022	0.9
71.51592	1.3
73.02901	0.8
73.30692	0.8
79.05509	5.0
79.64152	0.8
81.07059	7.7
83.04972	1.1
83.08614	1.1
85.06510	1.6
91.05000	0.9
91.05500	13.9
93.07050	6.2
95.04958	1.6
95.08640	4.4
97.06512	2.5
97.10184	0.9
103.05466	1.8
105.07039	15.9
107.04930	1.8
107.08617	3.7
109.06519	2.1
109.10160	9.1
111.08035	0.9
115.05444	3.4
116.06256	1.4
117.07025	5.0
119.04933	1.4
119.07815	1.1
119.08595	19.4
121.06510	0.9
121.10134	2.0
123.08102	1.1
125.09650	1.3
128.05382	1.2
128.06247	11.7
129.07004	7.2
131.04930	1.7
131.08582	14.4
133.06500	1.5
133.10129	2.9
135.08034	1.6
137.05998	10.9
137.09607	1.1
141.06990	3.4
142.07794	4.8
143.08580	15.8
145.06499	2.2
145.10147	2.4
145.35588	0.7
147.08090	1.8
147.11676	2.3
149.05994	2.4
149.09602	1.3
153.07004	2.4
155.08531	3.6
155.10625	0.9
156.09300	1.8
157.10120	6.2
159.08055	2.0
159.11702	4.3
161.05994	1.8
161.13260	1.0
163.07516	2.8
165.05571	0.9
165.06946	3.8
166.07770	1.9
167.07285	0.8
167.08548	3.2
169.10115	2.8
171.11690	6.3
175.07626	1.1
178.07838	4.3
179.08614	7.8
180.09300	1.4
181.10135	5.0
182.10841	1.7
183.11717	1.7
185.13260	1.6
187.07545	2.8
187.11105	1.0
189.06956	1.5
189.12886	0.9
190.07785	3.1
191.08601	10.5
191.89073	0.8
192.09380	11.9
193.10170	6.9
194.10915	1.9
195.08032	0.9
195.11690	4.5
196.12294	0.9
197.09720	1.3
197.13295	0.8
199.07512	0.9
202.07779	1.3
203.08534	3.4
204.09302	4.4
205.10201	9.2
206.10899	6.3
207.08099	1.2
207.11725	15.3
208.08907	1.3
208.12410	1.1
209.09621	1.5
209.13240	3.3
211.14944	1.1
214.76579	0.9
215.08662	0.9
216.09251	1.1
217.10127	15.9
218.07245	1.3
218.10884	3.7
219.08116	7.6
219.11693	14.5
220.08806	1.4
220.12440	3.0
221.05782	1.0
221.13280	5.2
222.13980	1.1
223.07709	0.9
223.11215	1.6
223.14790	1.5
231.11868	1.6
232.10306	1.4
232.12508	19.2
233.09595	1.9
233.13284	9.4
234.14003	7.3
235.07646	1.4
235.11191	7.2
235.14752	1.9
236.08275	2.0
237.09100	1.5
237.12753	3.2
237.16335	1.5
242.10808	0.8
245.09758	0.8
247.07616	3.7
247.14859	16.0
248.08189	0.9
248.15593	1.9
249.12839	2.0
249.16438	4.7
250.13480	2.9
251.10675	8.5
251.14117	1.6
253.08493	0.9
253.12277	4.4
255.17447	1.3
260.12030	2.1
263.10492	1.1
264.07782	1.2
265.08661	1.6
265.12271	1.8
265.15924	17.9
268.10895	0.8
275.14319	29.0
279.10165	7.6
281.08035	1.5
283.16910	1.2
293.15387	36.8
311.05548	3.3
311.08905	2.2
311.12814	13.5
311.16388	100.0
312.16589	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1644
Annotation	BRN 5760976
Peak:m/z	Relative Intensity
53.03947	1.9
55.01875	1.7
55.05517	7.4
57.07073	2.8
65.03944	1.2
67.05506	6.3
69.03444	1.9
69.07066	10.0
71.05023	1.5
71.08665	1.1
71.51260	1.2
79.05498	6.7
81.07056	12.4
83.04982	2.1
83.08627	3.1
85.06541	1.2
91.05489	18.6
91.94449	0.9
93.07043	10.2
94.04198	1.8
95.04977	3.5
95.08060	1.5
95.08611	13.9
97.06523	2.5
97.10178	6.9
98.98478	1.5
103.05459	3.5
105.07044	8.1
107.04967	2.1
107.08615	9.5
109.06496	2.7
109.10135	5.9
111.04385	0.9
111.08080	3.0
115.05441	9.3
116.06253	3.8
117.07006	4.4
119.08598	4.2
121.02859	1.4
121.06499	2.0
121.10133	3.7
122.03673	3.1
123.04434	1.4
123.08095	1.2
123.11723	3.0
125.05949	1.1
125.09621	1.8
128.06232	6.9
129.07007	13.0
130.07690	1.1
131.04893	2.2
131.08566	17.8
133.02856	1.0
133.06566	4.6
133.10153	2.7
135.08069	2.9
135.11699	1.9
137.05983	40.4
137.13264	2.3
139.07494	1.4
141.05450	4.7
141.07018	3.9
142.07780	2.9
143.08582	16.6
144.05690	2.7
145.06502	28.2
145.07597	2.6
145.10167	5.2
147.04501	1.1
147.08005	1.1
147.11656	2.4
149.05969	4.8
149.09613	3.4
149.13329	1.2
151.07678	1.0
153.07002	1.4
154.07719	2.1
155.04916	2.6
155.08571	3.1
156.09331	3.2
157.10182	1.7
159.08064	36.7
159.09129	1.6
159.11667	1.4
161.06001	5.7
161.09641	1.6
165.05568	1.4
165.07054	2.9
166.07817	1.1
166.21588	0.9
167.08635	2.4
168.09395	1.5
169.10120	9.8
170.10956	1.2
171.08102	1.5
171.11697	21.5
173.09630	2.3
175.07526	2.8
175.11165	1.4
175.47562	1.0
178.07773	2.4
179.08595	4.9
180.09357	2.2
181.10126	3.6
182.10873	1.7
183.11700	1.6
185.09612	8.4
186.10309	1.0
187.07547	10.9
187.11237	1.2
189.07060	3.5
189.09125	1.2
190.07779	10.8
191.08548	24.9
192.09341	6.1
193.10158	5.5
195.11745	2.7
197.05974	1.1
202.07761	2.4
203.08556	3.1
204.09268	2.8
205.06532	1.5
205.10124	6.0
206.10956	2.4
207.08063	3.9
207.11699	10.4
208.08830	3.2
209.09602	2.8
209.13425	1.3
211.11285	1.0
217.10144	7.7
218.07237	5.0
218.10953	3.2
219.08083	28.4
219.11565	9.9
220.08833	3.2
220.12439	2.0
221.06027	1.6
221.13249	2.4
223.11177	2.4
223.14877	2.6
231.11780	1.2
232.12442	11.0
233.09583	1.7
233.13289	3.8
234.14030	3.1
235.07446	3.9
235.11183	1.6
236.08360	6.4
237.09142	2.2
237.12823	1.5
247.07620	10.3
247.14870	20.0
248.08240	1.9
249.16353	2.6
250.13652	1.8
251.10690	33.8
251.14243	1.9
253.08618	2.8
260.12048	1.9
264.07922	4.2
265.08667	1.7
265.12231	2.8
265.15909	3.5
275.14200	7.2
275.23575	1.3
279.07114	2.1
279.10187	29.8
280.10825	2.9
281.08163	3.4
293.15305	14.5
293.24731	3.4
296.10406	4.0
311.05850	6.0
311.12805	29.2
311.16428	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	310.1499
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.4
57.03424	5.5
57.07074	4.7
60.00489	1.8
61.02908	4.1
67.05523	9.1
69.03436	11.9
69.07088	2.4
69.63033	12.0
70.06583	2.2
71.04984	7.5
72.08134	2.0
73.02914	3.0
78.01796	2.0
81.03432	4.9
83.01256	1.9
83.04987	1.7
84.04484	1.8
84.08144	3.5
85.02906	47.7
85.06540	6.5
87.04508	1.9
90.98724	1.9
91.03962	2.8
91.05482	2.2
95.04978	14.9
97.02884	12.4
98.97570	2.9
105.06979	1.9
109.02878	4.0
113.06007	36.1
120.08095	6.1
124.03937	4.5
127.03928	10.7
127.04700	1.7
131.07054	100.0
136.07585	4.2
145.04990	15.2
148.23137	1.8
163.06036	5.0
204.58211	1.9
243.94518	1.9
300.96042	2.1
310.08798	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1491
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.8
55.01867	1.3
55.05519	6.7
58.44284	0.6
63.80911	0.8
64.13154	0.7
65.03944	1.7
67.05183	1.2
67.05506	15.6
69.03417	1.3
69.07069	4.9
70.73267	0.8
70.73618	2.2
73.02915	0.7
75.76755	0.6
77.03882	0.8
79.05498	16.7
81.07063	29.1
83.04992	1.5
87.00851	1.1
91.05488	25.3
93.07051	40.1
95.04960	2.7
95.08616	34.7
97.05986	0.7
97.06502	3.6
103.05465	1.0
105.07041	55.5
106.07400	0.8
107.04966	1.6
107.08605	24.4
109.06532	4.5
109.10162	1.3
111.02252	0.6
111.04415	1.3
111.08073	3.0
115.03963	0.9
115.05454	1.2
117.07026	3.9
119.08592	65.5
121.06501	0.9
121.10174	6.8
123.08065	1.5
123.73309	0.7
125.05989	2.9
128.06215	1.6
129.07007	2.9
131.08571	7.9
133.02859	0.8
133.06511	4.1
133.10138	31.4
135.08073	0.9
135.10699	1.5
135.11700	21.2
137.05989	2.8
138.61061	0.7
141.06976	2.2
142.07773	1.4
143.08557	8.8
145.10129	11.8
146.10910	0.8
147.08063	6.9
147.11696	11.0
151.07536	1.0
156.09360	10.4
159.08049	0.9
159.11713	6.3
161.09650	10.4
161.13268	100.0
162.13585	1.1
171.11696	25.2
189.12764	81.4
190.13213	0.9
197.11482	0.8
207.13803	18.3
225.14844	2.3
293.14011	1.0
311.05670	1.6
311.15170	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	309.2426
Annotation	Methyl (10E,12Z,15Z)-9-hydroxyoctadeca-10,12,15-trienoate
Peak:m/z	Relative Intensity
51.84386	3.1
53.03953	18.0
55.01872	7.6
55.05508	26.4
57.03416	4.1
57.07089	11.9
67.05511	61.5
69.03439	3.6
69.07072	43.8
70.42487	2.6
71.05026	3.4
71.08640	8.1
79.05500	42.8
81.03426	67.5
81.07065	63.7
83.04985	17.6
83.08651	11.1
85.06580	3.1
85.10178	3.2
91.05483	24.8
93.07053	43.6
95.04977	37.9
95.08615	27.5
97.06572	9.1
97.10184	16.0
99.08152	4.9
105.07045	21.1
107.08597	33.0
109.06544	10.8
109.10172	22.4
111.08092	3.2
117.07039	3.4
119.08565	15.5
121.06510	3.3
121.10146	14.6
123.08098	5.0
123.11731	9.0
125.09628	15.1
131.08598	5.0
133.10112	19.9
135.08127	7.5
135.11739	8.6
137.13263	3.3
145.10213	3.3
147.11719	12.1
149.13304	10.9
151.11194	52.5
153.09128	5.5
157.10081	3.6
161.09642	3.7
161.13318	14.2
163.14848	5.5
165.12798	9.1
171.11794	8.1
175.14876	5.7
179.14328	7.0
203.12881	11.0
207.13791	5.2
231.21100	12.8
235.17076	3.0
241.19472	4.9
249.22182	8.5
259.20578	7.2
277.21649	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2059
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03942	7.8
55.01873	4.1
55.05515	46.1
57.03432	2.6
57.07079	2.0
59.04996	2.6
67.05509	17.9
69.03425	4.4
69.07073	14.2
70.65756	3.8
71.04987	2.1
71.73570	1.2
79.05496	83.6
81.03418	2.2
81.07055	20.5
83.04984	4.2
83.08623	21.5
84.08154	1.6
84.35197	1.3
85.02898	2.4
85.06557	2.6
91.05488	28.3
93.07047	100.0
94.07376	1.9
95.04972	9.7
95.08615	15.0
97.10174	36.9
97.76125	1.3
98.98418	1.6
105.04530	2.7
105.07040	12.7
107.04969	2.6
107.08590	13.6
109.06521	3.5
109.10168	5.8
111.04469	1.7
111.08078	2.9
111.11720	1.3
113.02391	7.3
115.05482	2.5
117.07035	4.9
119.08587	5.3
121.06544	3.1
121.10144	29.2
122.86501	1.2
123.08067	8.3
123.11740	2.7
125.09644	30.9
128.06227	1.7
129.07054	3.6
131.04962	2.6
131.08578	5.5
133.06517	1.4
133.10124	3.6
135.04408	1.2
135.08047	5.8
137.09648	1.6
139.07545	1.3
139.11201	2.5
142.07813	1.7
143.08559	3.0
143.10722	1.4
145.06540	5.0
145.10106	4.7
147.11697	1.4
151.11218	1.9
153.09087	2.0
157.10129	3.1
159.11618	2.7
171.10196	2.8
172.12390	1.4
175.14813	1.5
178.07765	1.9
179.08546	2.0
181.10164	1.7
189.11215	23.4
189.12761	2.2
191.08521	2.6
193.10231	3.0
194.10983	1.6
203.08759	1.8
206.10939	1.5
207.11647	2.8
217.15930	1.9
219.11710	2.1
221.09668	2.3
221.15462	1.6
222.57907	1.4
223.13208	1.7
231.08163	2.7
235.14882	3.4
246.33969	1.3
249.09122	4.5
249.16406	2.1
265.89621	1.2
273.18448	4.2
277.08606	4.6
277.15878	21.7
281.11765	1.8
291.19647	10.7
294.08801	1.7
309.11478	6.7
309.14221	1.5
309.18228	4.2
309.21429	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	309.2789
Annotation	2,10-Dimethyl-7-(3-methylbutyl)-6-methylenedodecane
Peak:m/z	Relative Intensity
51.02383	0.6
53.03947	1.2
55.01868	1.9
55.05515	17.6
57.03442	2.9
57.04498	0.5
57.07077	5.0
59.04991	1.5
67.05507	12.6
69.03435	2.0
69.07072	100.0
70.07408	0.6
71.05010	1.8
71.08641	2.2
71.51019	0.8
71.51396	0.7
72.53342	0.5
72.89424	0.5
73.06562	0.8
79.05492	7.5
81.07061	33.7
83.04971	1.3
83.08624	9.2
85.06546	5.5
85.10165	0.8
87.69957	0.6
91.05492	4.1
93.07050	13.7
95.04989	1.9
95.08615	27.8
97.06522	4.8
97.10164	6.4
99.08113	6.0
103.05484	2.0
104.05801	0.8
104.99339	0.5
105.07050	4.3
107.04980	1.0
107.08595	11.5
109.06548	1.7
109.10161	15.9
111.08098	9.4
111.11729	27.9
113.06072	0.7
117.07005	1.0
119.08563	2.9
119.56007	0.6
121.06544	0.6
121.10148	9.9
123.08079	1.7
123.11725	13.2
125.09656	3.0
125.13257	1.0
127.07581	0.8
129.12770	2.4
131.04929	3.5
132.05286	1.7
133.05522	1.0
133.10161	2.5
135.08102	1.0
135.11688	5.7
137.09662	0.6
137.13266	4.2
139.11191	20.1
139.12218	1.2
143.08583	0.6
143.10678	0.6
145.10197	1.1
147.04381	0.8
147.11726	2.5
147.29192	0.6
149.13277	6.9
151.07576	0.8
151.11285	0.9
153.12755	4.9
157.10181	1.0
157.12314	2.2
159.11664	0.8
161.13277	1.6
163.14815	3.0
165.09241	0.8
165.12723	0.8
167.14365	1.5
171.11742	0.8
175.14935	0.7
189.16422	0.9
191.18123	0.7
203.18077	0.9
206.07387	0.8
217.06601	0.7
217.19505	0.8
234.06815	1.8
235.07600	1.1
249.09229	1.7
251.10768	0.8
251.29269	0.6
252.64751	0.8
273.18677	1.7
273.25848	0.9
273.52234	0.6
277.08643	3.7
281.11838	2.1
291.10370	0.7
291.13663	0.7
291.19604	2.2
291.26834	4.8
294.08948	1.1
309.11313	5.1
309.14734	1.2
309.18100	0.8
309.21249	0.9
309.27841	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	309.2063
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03952	7.3
55.01877	18.7
55.05513	42.0
56.40602	3.0
57.03444	43.9
57.07083	5.4
67.05514	78.2
69.03429	8.4
69.07078	23.1
70.03425	9.4
70.03833	6.9
71.04989	16.3
75.31518	3.3
79.05503	52.2
81.03429	20.6
81.07060	65.4
83.04994	15.9
83.08624	17.6
85.02904	3.9
85.06543	12.0
88.97030	2.6
91.05490	61.6
93.07054	100.0
95.04970	23.9
95.08614	72.4
97.06533	17.0
97.10172	26.3
99.08107	8.8
105.07034	41.1
107.04982	12.5
107.08607	40.3
109.06506	14.9
109.10170	41.8
111.04456	10.6
111.08127	17.3
113.06043	6.7
117.07020	17.1
119.08570	29.5
121.06529	9.2
121.10137	21.3
123.08089	28.4
123.11691	6.0
125.09643	14.1
128.06242	3.6
129.07034	6.3
131.08592	23.7
133.10155	34.4
135.08089	12.8
135.11716	11.3
137.09639	25.7
139.07585	3.0
143.08580	9.5
145.10165	10.4
147.08060	10.4
147.11707	9.9
149.09647	9.2
149.13292	4.9
151.11163	19.4
153.09116	7.6
155.08592	3.9
157.10197	6.6
159.11781	4.0
161.09615	8.5
161.13297	4.0
163.11227	10.4
165.09152	8.7
171.10161	3.4
171.11772	5.7
177.12762	3.3
179.10680	6.2
181.12354	3.7
185.13257	3.6
189.11296	10.5
189.16441	5.3
193.12210	6.2
201.12849	4.6
217.15936	10.6
219.13814	4.9
221.15373	4.6
235.16934	4.3
245.19101	5.8
255.17653	5.5
263.20038	6.8
273.18549	31.6
291.19516	48.3
309.20615	24.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2064
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03947	3.7
55.01867	4.7
55.05274	1.3
55.05519	18.4
57.03445	23.6
57.07074	4.4
59.04990	2.9
65.03928	1.4
67.05511	37.5
68.52032	1.1
69.03438	6.1
69.06734	1.8
69.07079	29.2
70.03534	4.0
71.05003	7.6
79.05500	31.0
81.03441	3.9
81.07067	40.5
82.07392	1.3
83.04996	2.8
83.08624	11.6
85.06551	30.3
91.05491	14.5
93.07053	35.6
95.04976	29.3
95.08616	25.1
96.08958	2.5
97.06525	4.8
97.10179	10.1
98.98512	1.4
99.08103	2.6
103.05478	1.3
105.07030	11.9
107.04941	2.2
107.08614	17.1
109.06531	9.6
109.10169	23.3
110.10409	1.1
111.08118	6.5
111.08775	1.0
111.11717	5.4
113.06017	100.0
115.05472	1.1
117.07040	5.7
119.08583	11.3
121.06484	2.5
121.10152	13.2
123.04496	1.1
123.08112	5.2
123.11721	10.9
125.09641	8.4
127.07624	1.4
129.07007	3.6
131.04898	3.0
131.08589	8.0
133.06519	1.6
133.10136	5.8
135.08089	7.8
135.11703	7.2
137.09654	6.5
137.13255	3.3
139.07559	2.2
139.11188	4.3
142.07841	1.2
143.08559	3.9
145.06490	1.7
145.10089	6.8
147.04366	1.4
147.08087	3.4
147.11726	5.8
147.12674	1.0
149.09636	3.7
149.13261	3.4
153.09058	1.8
153.12779	1.7
155.08585	1.4
157.10112	4.8
159.11684	5.9
161.09607	2.9
161.13280	2.4
163.11194	2.2
163.14825	1.5
165.06998	1.3
165.09189	3.1
165.12798	1.3
171.11743	2.2
173.13344	1.4
175.11201	1.9
175.14755	1.1
177.12767	2.2
179.08527	1.2
181.10159	1.5
181.12163	1.2
187.11217	1.3
189.11232	5.1
195.13815	1.3
199.14735	1.6
201.12788	1.8
203.08617	1.4
205.12193	1.4
206.07292	2.6
217.15930	6.1
221.09575	1.3
234.06749	3.7
235.07529	1.2
235.16969	1.8
249.09032	2.8
273.18445	8.6
277.08609	5.6
277.16159	1.3
279.06665	1.1
281.11676	3.5
291.19580	21.5
291.22952	2.5
291.26608	2.2
294.08768	2.2
309.07758	1.9
309.11209	9.2
309.14545	2.1
309.20740	4.7
309.27585	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	309.2063
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
51.02394	2.2
53.03951	11.5
54.81476	2.2
55.01883	16.8
55.05518	38.4
57.03443	4.4
60.47241	2.1
62.34612	2.4
65.03958	3.4
67.05142	3.1
67.05514	96.1
69.03426	6.4
69.07078	26.7
69.33588	10.0
69.34018	10.6
71.04999	8.5
79.05502	49.3
81.03433	13.2
81.07067	100.0
83.04994	20.7
83.08617	14.4
85.02925	2.6
85.06556	5.6
89.87583	2.4
91.05492	57.7
93.07055	50.7
95.04989	12.6
95.08619	64.9
97.02931	2.5
97.06534	7.8
97.10184	7.0
98.21518	5.1
99.04469	4.2
105.07041	49.0
105.07693	4.0
106.56231	2.2
107.04982	15.8
107.08602	46.4
109.06551	12.4
109.10172	77.1
111.04446	6.5
111.08125	11.9
113.06016	3.7
117.07024	9.5
119.08593	21.2
121.06499	13.6
121.10149	16.6
123.04439	4.5
123.08086	21.4
123.11742	9.4
125.06015	4.0
125.09662	8.3
127.07568	5.6
129.07042	4.7
131.08600	17.5
133.06491	7.2
133.10155	79.7
135.08096	13.0
135.11739	10.6
137.09642	9.1
139.07529	3.5
143.08606	6.6
145.10141	12.4
147.08029	12.9
147.11688	6.7
149.09604	12.0
151.11192	47.8
156.97488	2.5
157.10147	7.3
159.08110	3.0
159.11696	4.4
161.09645	15.1
161.13269	3.3
163.11176	5.8
163.55777	2.4
165.09087	5.3
169.12276	9.9
171.11696	5.3
173.13365	3.4
174.98386	2.6
175.11211	7.3
177.12811	2.7
179.10681	2.4
185.13254	4.1
189.12859	4.9
203.14465	3.0
225.23474	2.7
226.29564	2.4
227.18034	6.5
245.19064	15.7
255.17532	4.4
263.20068	11.9
273.18521	34.6
291.19589	66.7
291.22882	3.7
301.01767	3.6
309.13266	3.6
309.20511	25.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2059
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
55.01871	6.3
55.05514	25.9
57.07084	3.5
59.04997	3.8
67.05223	2.3
67.05513	20.1
69.03428	3.6
69.07076	13.2
69.85310	3.6
69.85706	8.6
71.04984	4.1
79.05510	20.7
81.03432	3.1
81.07060	33.6
83.04976	5.7
83.08623	16.4
85.06524	2.3
85.39340	2.7
91.05468	8.6
93.07047	14.6
95.04970	6.5
95.08605	14.8
97.06537	3.4
97.10181	20.2
98.21418	3.6
105.07018	9.1
107.08595	11.4
109.06521	4.8
109.10155	7.1
111.04462	5.5
114.69512	2.5
119.08572	10.7
121.10155	6.9
123.08099	11.4
125.09665	13.7
125.78380	2.7
129.07059	3.1
129.96172	2.3
131.08583	6.0
133.06497	3.2
133.10144	6.5
135.08076	5.4
137.05969	9.4
143.08585	4.8
145.10106	6.1
147.08029	4.9
147.11719	6.6
157.10110	2.9
161.09680	4.2
163.11156	3.4
165.09081	3.5
189.11259	9.8
245.18958	4.0
273.18402	14.5
291.19547	100.0
309.20477	5.1
309.25623	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	308.2222
Annotation	Dihydrocapsaicin
Peak:m/z	Relative Intensity
53.03939	0.2
55.05510	0.5
57.07063	0.5
58.02942	0.4
58.32490	0.2
66.04703	0.2
67.05496	0.5
69.07074	1.2
71.08621	0.8
71.51046	0.2
71.51437	0.3
76.02221	0.3
79.05483	0.8
81.07056	2.2
84.04528	0.2
91.05481	0.6
93.07076	0.3
94.04190	2.8
95.04955	0.4
95.08633	1.2
97.06509	0.4
97.10209	0.2
99.08094	0.2
105.07030	0.3
107.04952	0.3
107.08600	0.2
109.06542	1.0
109.10152	0.3
114.09190	0.2
122.03655	7.4
128.10712	0.3
133.10310	0.2
135.54230	0.2
137.05984	100.0
137.13229	0.5
138.06331	0.7
162.02214	0.3
165.12781	0.5
172.17055	1.2
183.90067	0.2
184.16986	2.2
234.61754	0.2
291.23148	2.1
304.44699	0.2
308.22443	0.6
308.25989	0.7
308.29617	0.3
320.32321	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2061
Annotation	Soraphen O
Peak:m/z	Relative Intensity
50.03888	2.1
50.72140	2.0
55.01861	7.8
55.05505	8.9
56.55902	2.1
57.03439	28.3
57.07058	3.8
65.03916	2.9
67.05510	30.8
69.07065	9.6
71.02251	5.7
71.05001	3.9
79.05504	19.3
81.07050	24.3
83.04966	4.5
83.08620	2.6
83.69243	2.2
85.06554	33.3
91.05474	19.8
91.81392	2.2
93.07041	19.1
95.04978	33.2
95.08601	14.6
97.06532	3.4
97.10094	3.1
105.07044	12.1
107.04933	4.7
107.08600	14.6
109.06515	32.5
109.10129	6.6
111.08044	2.8
113.06016	100.0
117.07024	5.0
119.08575	7.9
121.06510	4.0
121.10191	5.8
123.08066	3.6
123.11656	3.2
129.06999	3.4
131.08562	6.4
133.10117	6.5
134.10564	2.3
135.08055	31.5
135.11673	4.8
143.08534	6.6
145.10124	7.2
147.08026	3.3
147.11716	5.4
149.09636	5.4
149.13356	2.6
157.10158	7.4
158.10181	2.4
159.11649	3.4
161.09630	7.0
163.11238	3.6
171.11702	3.6
217.15916	14.7
220.62827	2.9
228.46463	2.7
255.17365	3.1
273.18555	13.8
291.19540	34.3
293.88809	2.4
309.11240	2.7
309.20755	10.0
309.24280	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2634
Annotation	9-Hydroxygeranyllinalol
Peak:m/z	Relative Intensity
53.03946	1.7
55.01863	2.1
55.05515	4.6
57.03443	0.8
57.07074	1.8
59.05005	0.7
63.09766	0.4
65.03947	0.4
67.05510	4.5
69.03440	3.4
69.07076	26.4
69.43258	3.1
71.04997	1.6
71.08648	0.6
77.03927	0.9
79.05502	4.4
81.07063	21.2
83.04997	0.8
83.08622	3.0
85.02930	0.6
85.06543	1.4
91.05482	4.8
93.07052	10.0
95.04977	3.4
95.08617	13.4
97.02887	4.0
97.06555	2.9
97.10166	1.3
99.04474	0.7
101.05978	0.5
103.05479	39.1
104.05760	0.6
105.04488	0.5
105.07047	11.4
107.08607	9.8
109.06518	1.9
109.10171	6.5
111.04375	0.4
111.08091	3.1
111.11738	5.2
113.02387	0.6
113.05946	0.5
115.00308	0.7
115.05503	0.5
117.07010	1.4
119.08598	8.2
121.10162	9.2
123.08102	1.2
123.11729	7.5
125.09634	0.7
128.06250	1.1
129.07051	0.5
131.04942	100.0
131.08588	3.2
132.05278	1.6
133.06570	0.6
133.10164	2.1
135.08119	0.8
135.11728	1.8
137.09598	0.9
137.13284	1.9
139.03926	1.3
139.11192	6.7
141.01839	0.8
143.08572	2.2
145.10123	2.3
147.11699	4.8
149.06039	2.1
149.09645	0.8
149.13275	1.4
149.99092	0.4
151.07596	0.5
151.11186	2.5
151.14828	0.8
153.12791	1.9
157.10083	0.7
158.11008	0.5
159.11710	1.6
161.09613	0.7
161.13246	0.7
163.11226	0.8
163.14842	0.9
165.09215	0.5
165.12772	6.9
167.14331	0.7
169.12314	0.5
171.08093	1.3
171.11765	0.6
173.13280	2.3
175.07513	2.2
175.14912	0.7
177.16389	0.6
183.11745	1.3
187.11238	0.5
191.14316	0.8
201.12762	3.4
203.14386	0.8
219.13858	0.9
229.12381	0.5
247.13333	1.3
256.93539	0.4
277.25412	0.6
279.67102	0.5
289.07156	0.5
289.22430	0.4
289.25259	2.5
307.09592	0.9
307.15372	0.5
307.19495	0.5
307.22809	1.5
307.26407	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	307.2271
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56215	12.2
54.97102	10.9
55.01853	16.5
55.05515	66.9
67.05506	61.6
69.07063	39.0
70.28326	12.9
79.05502	100.0
81.07060	63.3
83.04971	30.2
83.08611	33.7
91.05477	31.2
93.07030	48.3
95.08605	42.9
97.06513	27.0
97.10159	42.5
105.07036	37.1
107.04943	28.0
107.08604	95.6
109.06456	12.9
109.10170	35.9
119.08566	37.7
121.10139	31.3
123.11746	15.6
125.09628	49.7
131.08543	20.2
133.10117	26.4
135.08067	26.3
135.11711	16.8
137.05968	34.6
138.06335	15.1
145.10144	28.9
147.11664	23.4
149.09651	60.1
159.11789	13.9
168.03914	12.3
203.12733	55.7
229.54762	13.6
257.19089	20.0
275.20139	58.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2634
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.7
55.01863	2.1
55.05515	4.6
57.03443	0.8
57.07074	1.8
59.05005	0.7
63.09766	0.4
65.03947	0.4
67.05510	4.5
69.03440	3.4
69.07076	26.4
69.43258	3.1
71.04997	1.6
71.08648	0.6
77.03927	0.9
79.05502	4.4
81.07063	21.2
83.04997	0.8
83.08622	3.0
85.02930	0.6
85.06543	1.4
91.05482	4.8
93.07052	10.0
95.04977	3.4
95.08617	13.4
97.02887	4.0
97.06555	2.9
97.10166	1.3
99.04474	0.7
101.05978	0.5
103.05479	39.1
104.05760	0.6
105.04488	0.5
105.07047	11.4
107.08607	9.8
109.06518	1.9
109.10171	6.5
111.04375	0.4
111.08091	3.1
111.11738	5.2
113.02387	0.6
113.05946	0.5
115.00308	0.7
115.05503	0.5
117.07010	1.4
119.08598	8.2
121.10162	9.2
123.08102	1.2
123.11729	7.5
125.09634	0.7
128.06250	1.1
129.07051	0.5
131.04942	100.0
131.08588	3.2
132.05278	1.6
133.06570	0.6
133.10164	2.1
135.08119	0.8
135.11728	1.8
137.09598	0.9
137.13284	1.9
139.03926	1.3
139.11192	6.7
141.01839	0.8
143.08572	2.2
145.10123	2.3
147.11699	4.8
149.06039	2.1
149.09645	0.8
149.13275	1.4
149.99092	0.4
151.07596	0.5
151.11186	2.5
151.14828	0.8
153.12791	1.9
157.10083	0.7
158.11008	0.5
159.11710	1.6
161.09613	0.7
161.13246	0.7
163.11226	0.8
163.14842	0.9
165.09215	0.5
165.12772	6.9
167.14331	0.7
169.12314	0.5
171.08093	1.3
171.11765	0.6
173.13280	2.3
175.07513	2.2
175.14912	0.7
177.16389	0.6
183.11745	1.3
187.11238	0.5
191.14316	0.8
201.12762	3.4
203.14386	0.8
219.13858	0.9
229.12381	0.5
247.13333	1.3
256.93539	0.4
277.25412	0.6
279.67102	0.5
289.07156	0.5
289.22430	0.4
289.25259	2.5
307.09592	0.9
307.15372	0.5
307.19495	0.5
307.22809	1.5
307.26407	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	307.227
Annotation	Methyl haplodesertoate
Peak:m/z	Relative Intensity
53.03932	2.1
55.01864	3.0
55.05514	14.6
57.03434	1.0
57.07076	1.5
59.05004	3.6
65.03936	2.1
67.05508	22.7
69.03419	1.8
69.07072	11.0
70.38342	0.6
71.05004	9.5
71.51362	0.8
73.06557	1.2
79.05497	22.3
81.03419	0.9
81.07061	26.5
83.04969	2.9
83.08636	5.0
85.02896	1.1
85.06548	2.9
87.04443	1.3
91.05486	33.9
92.05788	0.8
93.07048	28.8
94.04189	1.4
95.04979	5.5
95.08609	20.0
97.06544	10.2
97.10172	2.2
98.98460	1.5
99.08080	1.8
103.05466	3.8
105.03422	0.7
105.04521	0.9
105.07035	36.8
107.04948	1.8
107.08598	17.5
108.05750	0.8
109.05802	1.1
109.06516	17.2
109.10171	9.0
110.07269	1.2
111.04488	0.7
111.08104	2.9
115.05424	1.2
116.00413	0.6
117.07018	10.5
119.08588	29.0
121.02875	5.3
121.06520	6.5
121.10146	11.3
123.08074	12.6
123.11687	2.1
125.05984	0.7
125.09637	2.4
127.07532	1.2
128.06184	1.1
129.07005	3.2
129.13913	0.7
130.06564	0.6
130.98972	1.1
131.04926	6.2
131.08571	11.4
131.57495	0.7
133.06500	0.9
133.10143	20.0
135.08063	8.3
135.11690	5.0
136.08803	1.0
137.09616	9.4
138.06258	0.6
139.03886	3.4
139.11223	1.1
141.06984	1.4
143.08539	2.3
145.06471	1.0
145.10126	10.9
147.08038	1.2
147.11694	16.3
149.09622	7.3
149.13243	2.7
151.11192	18.5
155.08569	2.2
157.06488	1.1
157.10107	2.4
159.08067	1.4
159.11723	6.8
161.09621	1.7
161.13263	4.7
163.11185	9.4
163.14832	1.2
165.12744	9.9
169.10106	3.4
171.11700	2.8
173.09503	0.8
173.13272	5.1
175.11197	1.7
175.14763	1.3
177.12740	3.2
179.14304	3.0
179.55499	0.6
181.11922	0.6
183.11716	2.8
185.13295	1.0
187.11240	1.2
187.14830	2.5
189.12761	1.8
191.14276	2.2
195.11726	0.7
197.13252	4.7
201.12744	0.7
203.14476	1.0
205.12155	0.8
211.14969	0.8
213.05457	2.0
213.16356	1.0
215.14299	1.6
217.04872	0.7
227.18100	0.8
229.19539	6.8
231.17287	0.8
233.15398	0.8
239.16103	0.8
239.18007	9.0
247.20529	4.6
249.18503	1.8
257.19012	11.1
275.20068	45.6
289.21625	1.8
307.09845	4.3
307.22678	100.0
308.23022	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.129
Annotation	Brachystemidine B
Peak:m/z	Relative Intensity
55.01867	1.4
63.09952	0.4
65.22736	0.4
68.82023	0.4
69.07053	0.5
70.81001	0.9
70.81338	0.7
78.85669	0.5
82.71575	0.4
93.06972	0.4
94.06556	0.7
98.06050	0.7
106.06543	0.5
107.08582	0.9
108.04477	1.1
111.27154	0.4
120.04506	0.6
122.06061	2.1
123.04454	0.5
124.07629	0.7
131.08620	0.5
133.10219	0.4
135.08055	2.5
136.07573	0.8
138.05490	0.5
140.07021	2.4
144.08157	0.5
146.05998	0.6
150.05463	0.5
150.09061	0.5
152.07065	0.4
160.07603	1.5
163.08641	1.3
164.07045	0.4
168.06572	2.2
173.07196	0.6
174.09120	2.4
177.10243	1.2
178.08653	15.5
182.08160	0.8
184.07573	1.9
186.09204	0.6
187.07274	0.5
187.08727	1.7
188.07076	4.1
188.10686	0.7
191.08244	0.8
193.09636	0.5
196.09705	0.7
198.09167	2.1
201.06633	1.0
201.10315	3.4
202.08658	6.4
205.09770	4.0
206.08165	2.8
207.11256	0.4
212.07127	0.9
215.08202	0.5
216.10297	2.3
219.07719	1.4
219.11295	5.9
220.09773	1.9
226.08635	2.3
229.09773	5.3
230.08122	3.6
243.11322	1.6
244.09636	4.0
247.10809	12.5
248.09145	1.0
254.08119	0.6
260.59811	0.5
261.12442	1.3
262.10880	2.0
265.11865	13.7
271.10843	1.9
272.09232	1.9
289.11844	16.9
290.10052	0.6
293.58203	0.4
307.12909	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2272
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48681	2.5
53.03955	6.7
55.01874	19.3
55.05519	44.6
57.03438	9.0
57.07078	6.1
58.01403	2.6
65.49825	2.8
67.05178	5.3
67.05516	73.2
69.03430	4.2
69.07081	34.6
69.28500	24.8
71.28924	2.8
77.69656	2.3
77.99927	3.3
79.05512	57.2
81.03441	9.3
81.07072	100.0
83.04991	8.3
83.08626	17.7
85.06537	5.4
91.05498	37.6
91.41924	2.7
93.07053	40.3
95.04994	8.0
95.08620	58.6
97.04636	2.8
97.06547	27.1
97.10194	17.7
98.06077	3.7
99.04481	10.5
99.06395	3.4
105.07051	35.3
107.04964	15.9
107.08614	38.0
107.38389	2.7
109.06541	16.4
109.10172	27.5
111.08086	3.6
115.05486	3.3
117.07043	9.4
119.08602	23.8
121.06551	5.2
121.10157	14.9
123.08128	5.9
123.11711	11.2
125.09667	23.1
131.04985	3.6
131.08595	17.1
133.10150	24.7
135.08096	7.1
135.11708	10.0
137.06007	8.6
137.09691	5.3
137.13335	6.7
138.06291	4.0
145.10088	13.5
147.11684	15.0
149.09641	21.6
149.13303	7.3
151.11261	4.6
151.14743	3.9
153.09190	3.0
157.12273	2.9
159.11714	12.5
161.13345	4.1
163.14876	4.7
173.13277	5.2
175.11096	2.8
177.12810	6.2
185.13246	3.2
203.12834	13.7
209.15488	3.6
219.02737	3.0
219.17482	23.7
229.19528	4.9
233.96738	2.8
245.22723	5.6
247.20723	3.0
257.19083	8.3
275.20126	48.3
307.09650	3.7
307.22745	6.3
307.26227	24.8
307.28525	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	307.093
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96568	10.4
59.22114	1.5
68.05003	2.2
69.03432	5.6
70.17171	6.5
71.05003	2.3
71.95676	1.7
78.54903	1.7
82.48347	1.6
84.04517	3.6
84.96023	2.0
85.01395	2.0
85.02913	6.7
86.01112	1.6
87.00860	1.7
87.04435	1.7
97.02905	4.8
98.20666	1.8
98.97594	13.0
99.04441	2.3
101.00916	9.3
107.04961	1.9
110.97563	4.8
113.00846	2.2
115.02449	2.0
115.05526	1.8
116.98589	2.1
119.01914	6.2
127.00592	1.8
127.03925	1.8
130.06537	96.7
131.01865	2.7
132.04462	34.4
132.08090	14.2
135.04364	2.0
139.03911	49.8
142.06491	3.7
143.01917	5.0
145.03520	1.9
146.06046	5.9
146.99683	2.4
151.03943	2.3
151.88057	1.5
155.01913	2.7
157.03471	5.1
157.07623	100.0
158.06024	96.0
158.08046	2.8
158.99666	2.7
159.03201	2.3
159.09189	25.8
160.07634	2.3
161.02971	3.6
163.02725	2.4
163.03973	4.9
169.07625	1.9
170.05972	2.5
173.02989	2.5
173.07153	2.4
174.99167	1.9
175.04556	2.3
175.08675	33.5
177.02440	1.5
177.04051	1.6
177.05762	1.8
181.04971	1.8
183.05533	1.6
184.07645	4.9
185.07079	14.8
186.05536	2.6
186.07761	1.7
187.04536	1.9
191.02422	1.6
197.07120	3.9
199.08733	4.1
200.07092	2.7
201.06549	6.1
201.10287	4.1
203.02177	1.6
203.03996	2.5
203.08188	8.4
204.06715	1.8
205.05632	2.3
219.01765	2.3
219.07382	2.0
221.03358	1.6
221.05269	1.7
221.09250	2.3
223.06520	2.1
227.08162	19.5
239.04382	1.9
243.07687	11.9
245.09222	24.0
247.02927	1.9
247.06894	4.7
261.08740	24.2
271.07162	13.7
289.08212	10.7
307.07950	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	307.0815
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	0.4
53.03946	0.6
55.01873	1.0
55.05509	0.5
57.03438	0.7
59.97340	0.2
67.05507	0.8
69.03427	1.9
69.07072	1.3
69.44654	1.0
69.45078	0.5
71.05025	0.2
74.25585	0.2
77.03927	0.4
78.45827	0.2
79.05502	0.4
81.07071	1.7
83.08598	0.4
85.02912	1.1
85.06557	0.3
91.05482	0.4
93.07045	0.8
95.04986	0.9
95.08600	1.3
97.02901	4.1
97.10164	0.3
102.04652	0.2
103.05474	37.0
105.04511	0.5
105.07049	0.9
107.08595	0.9
109.06475	0.4
109.10170	0.7
111.08044	0.2
113.02390	0.7
114.87949	0.2
115.00295	0.3
119.08584	0.5
121.10170	0.9
123.11729	0.7
125.09603	0.4
126.24458	0.2
131.04938	100.0
132.05270	0.7
133.10150	0.3
139.03925	0.6
139.11240	0.2
141.01837	0.4
141.09102	0.3
147.11708	0.5
149.05968	1.8
149.13254	0.4
151.11209	0.2
154.40950	0.2
159.11810	0.3
165.12759	0.4
203.06950	0.3
220.84190	0.2
253.15807	0.2
263.09146	0.5
289.07111	0.5
289.21603	0.4
289.24896	0.2
307.08282	0.7
307.22916	0.4
307.26297	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0927
Annotation	Unknow
Peak:m/z	Relative Intensity
61.25342	0.7
63.42186	0.8
65.03947	1.3
66.11813	0.7
67.05489	1.6
68.99783	1.5
70.02950	2.5
70.56863	2.6
71.05000	0.9
72.08192	0.7
79.05501	1.0
81.03441	0.9
81.07044	1.1
83.04990	1.2
85.02934	0.9
87.00826	1.0
88.04003	1.3
91.57437	0.7
93.07046	1.3
94.06578	1.2
95.04968	1.8
100.70753	0.9
107.04986	2.0
108.04478	2.6
109.06520	0.8
111.04458	1.5
118.06597	0.9
121.02880	0.9
122.06031	1.3
123.04482	1.2
125.09042	0.8
130.06537	35.4
131.04956	1.2
132.04456	9.9
132.08102	3.1
133.02895	1.0
135.04417	3.1
139.03917	100.0
140.07069	3.3
146.06023	21.8
146.07111	1.6
151.03894	4.2
157.07628	36.8
158.06027	33.4
159.04381	2.3
159.09160	5.6
160.07611	0.9
163.03912	9.1
168.06570	2.8
169.04961	2.3
173.07144	1.2
174.05504	3.8
175.08704	12.7
177.05475	2.8
181.05022	5.6
184.07674	0.8
185.07126	5.1
195.06552	2.6
197.07118	1.1
199.08731	2.0
201.06627	1.6
201.10150	1.4
203.08174	9.9
209.31879	0.8
221.09259	1.0
223.05931	0.9
225.06595	1.4
227.08202	3.1
227.11731	1.2
243.07750	4.5
245.09288	5.8
245.12837	1.1
261.08789	8.1
271.07178	6.0
277.61597	0.9
286.43994	0.9
289.08182	5.8
289.11386	1.4
307.09723	1.8
307.12918	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	307.0815
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	0.3
53.03942	0.8
55.01874	1.1
55.05515	0.5
57.03434	0.6
57.07062	0.2
67.05508	0.6
69.03431	1.6
69.07079	0.6
69.29541	1.2
69.29961	0.3
70.06580	0.2
72.78945	0.2
75.56454	0.2
77.03933	0.7
79.05511	0.2
81.07066	0.8
83.04997	0.2
85.02912	0.9
91.05478	0.4
93.07052	0.6
95.04970	1.0
95.08641	1.1
97.02905	3.6
102.04662	0.3
103.05476	37.0
105.04516	0.5
105.07029	0.6
107.08584	0.4
109.06558	0.2
109.10160	0.5
111.08115	0.4
113.02385	0.9
115.00293	0.3
117.07066	0.2
119.08596	0.6
121.10191	0.2
123.08070	0.3
131.04939	100.0
132.05273	0.6
132.10240	0.4
133.10204	0.3
135.08035	0.2
137.09692	0.2
139.03949	0.4
141.01859	0.9
143.08601	0.3
145.10222	0.4
147.08078	0.2
149.06007	2.6
149.13165	0.2
155.08589	0.2
157.10133	0.2
159.08104	0.3
159.11671	0.3
161.09654	0.3
163.04016	0.2
165.09047	0.3
165.12808	0.2
173.13316	0.2
173.73659	0.2
183.11732	0.2
201.12781	0.5
203.07018	0.6
217.12341	0.3
229.12178	0.4
246.06474	0.2
247.13248	0.3
262.13538	0.2
263.09146	0.5
264.07849	0.3
277.08572	0.3
279.10220	0.2
289.07053	0.7
292.10944	1.1
306.26416	1.0
307.08298	0.6
307.09726	0.5
307.13315	0.7
307.19427	0.2
307.22717	0.5
307.26581	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0814
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	0.5
51.41419	0.3
52.43995	0.3
53.03951	0.7
55.01863	1.0
55.05511	1.0
57.03432	0.6
67.05499	1.0
68.18854	0.3
69.03433	1.6
69.07069	1.1
69.44565	2.1
70.80223	0.2
79.05492	0.5
81.07053	2.7
83.04983	0.4
84.08129	0.3
85.02927	0.8
87.00841	0.6
91.05482	0.8
92.66893	0.3
93.07047	1.1
95.04977	1.2
95.08603	1.4
96.08813	0.3
97.02905	4.3
97.06507	0.4
97.10195	0.4
103.05474	37.4
105.04482	0.4
105.07047	0.7
107.08604	1.3
109.10162	1.3
111.08102	0.9
113.02391	0.5
117.07027	0.3
119.08591	1.0
121.10164	0.9
123.08101	0.4
123.11737	0.8
131.04938	100.0
132.05276	0.6
133.10153	0.4
135.08121	0.3
135.11707	0.7
137.09657	0.5
139.03923	0.8
141.01872	0.5
145.10172	0.6
147.11697	0.7
149.05984	1.9
149.13261	0.4
151.11198	0.4
155.08588	0.4
157.10030	0.3
159.11722	0.3
164.07187	0.3
165.12776	0.4
203.07057	0.4
219.08127	0.3
245.87836	0.3
247.07515	0.4
263.09229	0.8
264.07806	0.5
307.09851	2.0
307.19266	0.5
307.22696	1.1
307.26086	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0815
Annotation	(+)-Gallocatechin
Peak:m/z	Relative Intensity
53.00309	0.6
53.03935	0.3
55.01863	0.9
65.03942	1.4
67.05498	1.1
68.99795	0.9
69.03429	0.4
69.85003	0.8
70.48277	0.3
72.08140	0.3
75.00044	0.4
75.87339	0.2
76.43818	0.3
77.55124	0.2
79.05492	0.4
81.03408	0.4
81.07044	0.3
83.04981	0.6
84.08111	0.3
85.02908	0.5
92.75257	0.3
93.03403	0.9
95.04993	1.5
103.45586	0.2
107.04971	1.7
111.04444	1.4
117.03407	0.4
121.02873	0.6
121.06513	0.4
123.04424	1.0
123.33900	0.2
127.03931	1.1
130.06561	1.1
131.04915	1.1
132.04489	0.5
133.02864	1.5
135.04419	3.2
139.03909	100.0
140.04257	0.3
144.04832	0.6
145.02863	0.7
146.05981	0.3
147.04416	0.4
149.05995	1.1
151.03926	3.9
153.01849	0.5
153.05434	1.0
157.07628	1.2
158.06017	1.3
159.04407	2.5
163.03914	9.4
163.05257	0.6
167.07063	0.3
169.04947	1.6
175.08710	0.7
177.05464	2.6
181.04961	5.1
189.34033	0.2
191.49493	0.3
195.06534	2.6
201.05377	0.3
205.04971	1.4
205.40865	0.3
223.06033	1.4
247.06053	0.5
289.07138	0.8
289.11932	0.4
307.08112	1.1
307.12936	0.3
315.30417	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0792
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96566	5.5
61.62355	4.0
64.22455	4.2
69.75982	9.4
69.76387	15.4
81.77373	4.1
83.94704	3.8
85.02913	6.8
91.77987	3.8
98.97574	17.0
101.00889	19.3
104.17701	4.1
110.97558	6.0
113.00856	4.9
115.02442	8.2
119.01926	17.2
131.01906	9.5
133.03513	5.7
143.01871	7.0
145.03487	12.6
149.29073	4.4
155.01903	10.2
157.03473	14.4
161.02975	5.0
163.04617	8.7
173.02991	5.6
198.37650	4.7
200.49025	4.3
200.80540	4.7
205.05595	16.4
217.05559	12.1
221.05168	6.2
247.06638	16.7
265.07745	17.8
307.08191	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0813
Annotation	(+)-Gallocatechin
Peak:m/z	Relative Intensity
53.00311	0.7
55.01867	0.6
58.66669	0.3
58.85991	0.3
59.23602	0.4
63.15943	0.3
65.03938	1.2
65.51048	0.3
67.05508	0.7
68.99783	1.1
69.17580	0.8
69.18005	2.6
72.87906	0.3
83.04986	0.8
86.44041	0.4
92.29211	0.3
93.03385	0.6
95.04952	1.1
97.02858	0.4
98.20723	0.7
107.04958	1.4
111.04440	1.4
115.52248	0.3
117.03405	0.4
121.02895	1.1
123.04424	1.2
124.21783	0.3
127.03922	0.9
130.06519	2.8
131.04964	1.2
132.04460	0.8
133.02843	1.0
135.04417	2.6
139.03912	100.0
140.04260	0.7
140.07153	0.4
145.02815	0.8
146.06030	0.9
149.05998	0.7
151.03912	3.9
153.01854	0.4
153.05475	0.9
157.07585	2.7
158.06035	3.1
159.04398	2.0
159.09200	0.6
163.03925	10.0
167.07069	0.6
169.05026	2.4
175.08693	0.7
177.05502	2.8
181.04993	5.1
185.07037	0.4
185.68102	0.3
195.06523	3.2
203.08235	0.9
205.05005	0.9
223.06050	1.3
227.08212	0.6
245.09210	0.6
247.05916	0.8
261.06186	0.3
261.08829	0.6
271.06485	0.3
289.07166	0.8
307.08331	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0794
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61662	4.0
55.01871	4.1
56.96571	36.1
57.03436	5.1
61.02926	4.1
67.05524	3.8
69.03432	14.1
69.83245	14.2
69.83656	5.8
71.01341	4.2
71.02024	3.0
72.08157	4.1
73.02918	5.3
81.03423	7.2
82.99818	7.9
83.04974	3.5
85.02904	20.2
87.04456	3.3
97.01418	6.8
97.02892	14.0
98.09668	4.4
98.20731	3.4
98.97587	62.2
100.99169	7.6
101.00889	48.0
103.00605	5.3
103.02470	4.9
109.02930	4.0
110.97559	15.3
112.99149	9.8
113.00882	16.1
115.02454	16.9
116.98624	16.0
119.01927	43.3
121.01667	5.7
127.00763	3.2
127.02427	8.0
127.03941	3.9
128.98610	9.8
129.03104	4.7
130.06528	29.9
131.00191	8.8
131.01907	16.3
132.04446	8.2
133.03465	12.5
137.00874	3.8
139.03914	100.0
143.00223	4.8
143.01924	13.6
145.01706	4.9
145.03482	26.6
145.04970	5.0
147.03146	7.2
155.01924	16.9
157.03464	36.1
157.07611	28.2
158.05997	28.5
158.99681	9.9
159.03163	4.0
159.09200	11.2
161.01201	4.7
161.02965	11.8
161.05524	5.1
163.02739	12.6
163.04071	9.3
168.99811	3.7
170.99649	4.7
171.04997	4.2
173.01518	4.5
173.03015	12.0
174.99144	8.6
175.03061	5.9
175.04559	21.4
175.08687	9.8
177.00771	4.3
177.02461	4.8
179.02197	6.6
181.05096	3.8
185.07034	6.8
187.00908	10.0
187.02707	4.6
187.04497	6.5
189.00693	4.6
189.06096	3.3
190.98692	3.9
193.00275	5.4
197.03227	3.8
201.00783	3.5
202.06024	14.3
203.04070	8.9
205.01932	4.8
205.05632	18.1
215.00436	5.9
216.05748	18.3
217.00249	8.7
217.05562	10.6
217.07639	4.5
219.01752	15.0
219.07143	3.5
221.03317	4.1
221.05141	12.4
223.06648	18.4
225.06644	3.7
227.08130	3.7
229.01903	4.0
229.05597	4.8
235.01173	7.2
237.02814	11.1
239.04401	6.2
245.05049	4.7
245.09103	7.6
247.02991	8.1
247.06767	26.7
265.07858	28.4
289.07907	3.6
307.08499	66.5
325.07962	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	306.1008
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.5
55.01873	0.3
55.05515	0.5
57.03440	1.5
58.99596	0.5
61.02930	2.3
65.03943	2.7
67.68052	0.3
68.05030	1.9
69.03432	6.0
69.85280	1.4
71.01356	0.5
71.04992	0.9
73.02912	1.6
81.03397	1.5
81.07071	0.4
81.92799	0.3
83.08622	0.4
84.04514	1.5
84.08144	4.8
85.01147	2.4
85.02910	14.1
86.06075	0.5
86.09726	0.3
87.04471	1.0
91.03953	0.6
97.01125	0.4
97.02907	3.5
98.00642	2.4
98.97604	0.4
99.02676	4.0
99.04470	1.1
101.02398	0.4
103.03937	1.1
109.02880	1.3
110.03196	0.3
113.02983	2.6
114.03762	0.4
124.07547	0.4
126.03748	25.9
126.09141	1.5
127.03910	2.6
127.04568	2.0
130.06541	0.3
139.03911	5.4
144.04791	100.0
144.10181	3.3
145.04965	1.9
152.04178	0.3
157.07605	0.4
158.05989	0.4
161.96033	0.4
163.03896	0.6
169.13362	0.7
172.04251	0.3
177.03322	0.3
186.05876	2.7
215.13853	1.9
243.17094	2.9
288.09076	0.6
288.14267	0.4
306.10046	10.4
307.16794	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.2065
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96289	0.3
66.04720	0.4
69.07069	1.5
70.55688	0.6
79.05489	0.7
81.07054	0.9
83.08618	0.4
91.05491	0.5
93.07060	0.5
94.04204	2.1
95.08594	0.6
98.20814	0.3
100.07622	0.6
107.08577	0.8
109.10183	1.0
111.52583	0.3
114.09235	0.4
122.03662	7.2
124.77493	0.3
126.09197	0.4
133.10173	0.6
135.11746	1.1
137.05992	100.0
138.06322	0.5
151.11189	0.4
153.12732	1.4
170.15421	2.5
182.15408	2.4
306.20740	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.2791
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57958	0.2
53.03938	0.4
55.01878	1.4
55.05514	8.2
57.07079	1.0
62.30474	0.2
65.03926	0.6
66.33233	0.2
67.05508	10.3
69.07072	8.5
70.06596	0.3
70.63548	0.4
70.63944	0.4
71.08639	0.3
72.04498	0.5
75.92017	0.2
76.60103	0.2
79.05079	0.2
79.05504	2.3
81.07059	8.3
83.08625	2.5
85.05291	2.9
86.06072	1.2
91.05471	0.9
93.07030	1.4
95.08611	5.0
96.08107	0.4
97.06440	0.2
97.10170	1.0
98.06059	17.1
99.06837	0.4
105.07025	0.8
107.08575	0.7
108.08136	0.2
109.10169	1.8
110.09689	0.7
112.07603	2.2
119.08572	0.4
121.10162	0.5
122.03650	0.3
123.11661	0.5
124.07558	0.4
124.11250	0.4
126.09153	0.6
133.10149	0.3
134.09627	0.3
135.11679	0.2
137.05960	1.9
138.09184	0.5
140.10686	0.6
152.10692	0.3
154.12257	0.8
166.12320	0.2
168.13831	0.4
182.15366	0.5
189.32596	0.2
194.15442	0.4
196.16943	0.7
208.16960	0.9
208.20581	0.2
210.18561	0.4
222.18579	0.7
222.22090	0.2
225.92166	0.2
236.20102	0.5
306.27921	100.0
307.28165	1.0
328.25830	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.15
Annotation	NSC 177499
Peak:m/z	Relative Intensity
52.29843	0.5
53.03952	0.6
55.01870	1.1
55.05545	0.6
57.02230	0.6
65.03933	1.3
67.05504	2.8
67.21404	0.6
69.03432	0.9
70.93867	1.3
71.05009	0.8
72.08160	0.9
79.05520	1.8
81.03436	1.3
81.07055	1.8
82.06614	0.7
85.02916	1.7
91.05482	2.1
93.07063	1.6
94.06590	4.9
95.04971	1.6
95.08588	0.6
96.08170	1.4
97.02920	0.7
102.95659	0.6
107.04995	1.0
108.08132	20.2
109.02863	0.9
109.06540	0.9
110.06051	7.6
117.05824	0.7
118.06559	5.9
119.07355	5.0
120.08115	8.4
121.05235	0.7
122.06065	4.8
123.04424	1.1
123.06802	2.3
124.07606	10.9
125.09648	0.6
127.03958	3.7
132.08099	1.4
133.02901	0.6
134.06038	0.8
135.06799	1.0
136.07597	100.0
137.01370	1.2
137.02380	15.3
137.03419	1.4
138.09143	1.4
139.03926	7.3
140.07092	1.1
142.08658	9.0
143.10704	1.1
145.07668	0.7
146.06030	6.9
146.08420	1.2
147.06805	2.1
148.07565	5.3
152.07088	2.6
154.08719	3.3
158.09634	0.7
160.07603	1.3
161.07104	1.4
164.07088	38.2
166.08540	0.9
168.08089	0.7
169.09760	1.1
170.08415	1.1
173.10796	4.3
174.07884	1.1
175.08789	0.9
179.03439	1.9
181.08929	2.4
183.09158	1.6
184.09903	1.4
184.11327	0.9
185.10741	1.4
187.61061	0.6
195.09232	1.5
196.11278	2.6
197.10771	2.0
198.07776	1.2
198.11513	3.4
199.08681	1.4
201.10271	6.6
203.03416	1.0
211.08745	3.1
212.09422	2.6
213.10251	6.4
213.13829	4.1
214.10950	0.9
215.11815	1.4
223.12260	0.8
224.10707	3.7
225.10243	6.2
226.11043	10.0
227.11795	0.9
229.09866	0.8
239.08191	0.8
239.11870	1.4
240.08894	1.0
240.12630	2.8
241.09848	5.9
241.13400	24.9
242.11876	1.4
253.09682	0.6
254.10510	3.9
258.13876	0.7
259.14474	26.3
269.12891	37.4
270.12766	0.7
277.15509	2.3
287.13943	41.5
305.06674	3.3
305.14987	75.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0872
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43916	1.3
55.01862	2.1
56.96566	27.3
57.03432	7.0
59.04982	2.0
61.02925	6.5
69.03432	16.1
69.52914	10.0
70.98122	9.5
71.01342	7.1
71.05001	3.4
72.08176	1.6
73.02913	4.1
80.43274	1.3
80.82404	1.2
81.03413	7.6
81.04543	1.9
83.04993	2.3
83.57764	1.3
84.96040	4.1
85.01457	1.5
85.02903	32.1
85.06538	1.4
87.04475	3.6
88.99168	2.1
89.98954	1.5
91.04009	1.9
97.02898	44.9
97.03529	2.3
98.20746	1.8
98.97591	41.8
99.04465	3.9
101.00900	12.6
101.02360	1.5
103.00629	3.1
103.02486	1.6
109.02863	2.2
110.97546	8.1
111.04424	2.1
112.51380	1.3
112.99167	2.1
113.00894	8.2
113.02403	3.2
115.00726	3.7
115.02440	5.2
116.98637	10.2
117.04001	1.9
119.01910	11.1
124.95487	3.3
125.02361	100.0
126.97108	1.9
127.00652	1.4
127.02466	3.2
127.03914	7.2
128.98613	6.3
129.01855	2.5
129.03989	1.8
131.00159	2.2
131.01901	11.8
131.05571	3.4
133.01701	3.0
133.03510	5.4
134.99696	2.3
139.02409	1.6
139.03967	1.4
140.98569	2.0
141.03951	1.4
142.08633	2.0
142.96510	2.9
143.00221	3.8
143.01974	5.4
143.03403	78.2
143.05396	3.1
143.08113	12.7
144.98094	2.8
145.01721	2.7
145.03540	6.7
145.04950	5.8
146.99663	2.0
149.06587	3.2
152.94960	2.2
153.05814	2.1
154.03851	1.5
155.01921	9.4
156.02641	2.0
156.98154	2.8
157.03444	8.1
158.99669	6.7
159.01408	1.8
159.03244	2.4
161.01260	4.2
161.02995	3.3
161.04633	2.9
161.06616	20.8
162.06366	2.0
162.99059	1.5
163.02740	1.7
163.04486	1.8
168.03630	4.2
170.05212	3.1
170.96031	4.0
172.94402	2.6
172.97618	3.5
173.01286	2.7
173.02986	5.8
173.06612	2.7
174.99158	3.4
175.02682	1.6
175.04498	3.4
177.00754	3.0
177.04280	2.4
179.02092	1.6
179.07709	4.9
182.99667	1.3
183.04991	1.8
184.97568	2.8
185.01349	2.4
185.02945	3.1
185.06607	6.1
186.99159	2.2
188.97096	5.1
189.00728	2.3
190.98660	3.0
191.02121	1.6
197.02948	2.2
197.06636	5.8
198.99168	1.7
199.08179	3.1
201.00699	2.3
202.98659	4.3
203.02309	3.0
203.04042	6.5
203.07648	18.3
205.00246	3.9
209.06712	1.8
214.98642	4.1
215.07654	26.3
217.09213	3.4
219.01743	7.0
220.99730	3.4
221.05113	11.8
223.06657	3.0
227.07645	2.6
229.09341	1.6
230.98126	5.9
232.96457	1.7
232.99628	3.0
237.02844	5.5
239.07607	6.9
240.05727	1.7
244.99843	3.7
245.05107	6.3
245.08713	3.7
248.99245	2.6
263.00793	4.1
269.08710	1.6
270.06805	2.0
275.09918	2.1
281.01755	5.2
281.04764	1.3
285.90366	1.3
287.09900	3.4
303.11414	1.5
305.01999	1.9
305.07123	7.5
305.11313	64.2
323.06473	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	305.0871
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.6
55.01882	3.1
56.11945	1.1
56.96571	21.0
57.03429	5.3
61.02918	3.7
63.95390	1.2
69.03434	15.9
69.52315	6.6
70.06564	2.4
70.98129	6.9
71.01365	7.9
71.05000	1.5
71.95258	1.7
73.02915	5.1
80.06593	1.3
81.03426	5.4
82.99868	2.0
83.04984	2.1
84.96024	2.8
85.02911	32.3
86.03263	1.4
87.04483	3.5
91.03946	1.8
96.08150	1.3
97.02904	45.0
98.97595	29.9
99.04468	3.5
101.00897	11.8
103.00662	1.7
103.02489	1.2
103.03987	2.2
109.02895	4.2
110.97567	6.3
110.98240	1.3
113.00889	9.8
115.00662	1.5
115.02444	3.9
116.98627	7.4
117.04041	1.2
119.01936	11.0
123.05491	1.4
124.95486	2.9
125.02367	100.0
126.97070	1.9
127.02466	1.6
127.03930	5.0
128.98616	4.0
129.02010	1.2
129.03951	2.5
129.05489	1.9
131.00198	1.3
131.01933	11.4
131.05577	2.8
133.01715	1.4
133.03488	3.5
137.00853	1.4
140.98602	2.0
141.03838	1.3
142.08673	1.8
142.96567	1.5
143.00294	2.4
143.01936	3.2
143.03410	71.1
143.05573	5.1
143.08154	6.7
145.01700	2.3
145.03517	6.2
145.04964	4.4
146.99725	1.9
148.76810	1.3
149.01273	1.2
153.05774	1.4
154.03894	1.4
154.96587	2.9
155.01865	7.5
156.98152	3.3
157.01668	1.3
157.03496	6.1
158.99673	3.7
159.01495	1.9
159.03169	2.7
159.05034	1.9
161.01256	2.5
161.02971	3.7
161.04639	2.4
161.05315	1.9
161.06606	18.2
162.06459	1.4
167.05583	2.5
168.03603	6.4
170.05162	2.1
170.96071	2.1
170.99701	1.9
172.94365	2.0
172.97493	2.0
173.01437	3.0
173.02975	6.0
173.06590	2.5
174.99171	4.1
175.04559	2.7
177.00725	1.7
177.04335	2.2
179.02097	1.8
179.07658	4.1
184.97690	1.8
185.01190	1.6
185.02954	2.8
185.06577	6.9
186.99208	2.3
187.08209	1.8
188.97041	2.2
189.00706	2.9
189.04105	1.2
190.98688	2.3
193.00221	1.7
197.03078	2.1
197.06636	4.7
201.00714	2.4
202.98689	2.3
203.02310	2.6
203.04004	5.7
203.07642	15.7
205.05606	1.9
214.98607	3.0
215.04167	1.7
215.07677	20.7
217.09286	4.0
219.01758	5.7
220.99678	1.5
221.05098	9.4
223.06668	2.0
224.04337	1.6
227.07729	2.7
230.98152	2.0
232.96555	1.6
232.99696	3.8
239.07626	6.2
240.05699	1.7
244.99590	1.2
245.05159	5.8
245.08759	3.8
247.04935	2.2
248.99274	1.5
257.08823	1.4
263.00790	2.9
266.48505	1.5
270.06812	1.8
281.01816	3.6
287.00864	1.6
287.09943	1.6
305.01825	2.9
305.07126	6.2
305.11319	54.5
306.11530	1.7
309.98068	1.3
323.02469	1.5
323.06561	1.8
323.11658	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	304.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	1.8
55.01872	2.8
57.03444	4.2
58.06591	2.5
60.04528	10.2
69.03436	16.3
69.07079	45.6
70.06594	1.7
70.57765	4.2
70.58092	2.2
71.08643	21.6
72.08150	1.7
73.02934	2.3
76.37569	1.9
81.03437	11.3
83.04973	2.3
84.04501	5.5
84.08115	2.6
85.02915	67.7
85.06566	3.1
86.02431	6.6
86.06062	2.5
86.09717	4.4
89.84408	1.7
96.08116	2.7
97.02899	43.0
97.06533	5.8
98.76136	1.8
99.04436	2.1
101.40530	1.6
103.03960	6.9
109.02886	13.9
114.09188	20.6
121.91759	1.7
123.04475	3.0
124.07655	2.2
126.09165	2.2
127.03915	16.9
130.06560	3.0
136.07552	2.2
137.02376	3.8
138.02660	3.1
138.09180	5.2
142.08649	100.0
145.04994	7.3
146.44196	1.6
148.09743	2.6
151.03960	2.1
153.01852	3.7
156.10181	3.5
166.08676	2.7
172.13329	4.2
180.10245	2.5
184.09711	82.5
193.98918	1.9
202.05902	3.3
208.09685	20.0
224.46007	1.9
230.05333	4.5
234.09750	3.0
238.10651	2.2
245.95831	1.7
250.10745	9.6
258.04782	2.3
268.11981	3.2
286.12753	5.4
300.51904	2.0
304.05380	55.5
304.13712	7.8
307.14691	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02360	0.3
53.03935	0.7
55.05514	0.6
56.96563	0.3
57.03427	0.6
58.03584	0.3
61.02919	0.8
61.32953	0.2
67.05533	0.3
68.05047	0.4
69.03439	2.1
71.04995	0.3
71.23611	0.7
73.02924	0.5
79.05498	4.7
80.04993	0.5
81.03415	0.9
81.05811	3.4
81.07068	3.9
82.02954	0.5
82.06548	0.5
85.02911	3.9
86.06068	0.4
87.04516	0.4
91.03928	0.3
94.06577	0.9
95.04961	0.5
96.04494	1.2
96.08141	8.1
97.02887	1.5
98.97578	0.3
106.06587	0.6
107.04963	0.3
109.02871	0.6
109.05280	0.4
109.55429	0.3
109.99503	0.3
110.06065	0.6
112.07626	1.0
124.07605	100.0
125.07937	0.5
127.03921	1.1
142.08647	17.0
145.04950	0.6
155.26561	0.3
217.02051	0.3
304.14044	0.3
304.18301	0.3
308.37274	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0869
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26915	0.4
53.03939	0.7
55.01864	0.9
57.03435	1.1
59.04986	0.4
61.02927	1.6
69.03442	4.4
70.03848	0.4
70.94350	0.7
70.94681	0.5
71.04964	0.6
72.94168	0.4
73.02920	0.6
79.10920	0.4
81.03417	2.0
83.04996	0.4
84.08154	0.6
85.02907	8.3
87.04445	0.5
91.03949	0.7
97.02902	3.4
98.97607	0.6
99.04481	1.0
106.75908	0.4
109.02880	1.2
123.04473	0.6
125.02364	0.5
127.03900	2.5
137.02327	1.4
139.03876	2.7
143.03409	100.0
144.03732	0.9
145.04984	1.4
150.25267	0.4
158.99779	0.4
179.03423	0.7
194.97693	0.4
203.03302	0.5
305.06097	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.9826
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96304	0.2
56.96568	2.8
57.60583	0.2
71.26103	0.2
71.49812	0.4
71.95261	0.4
77.64814	0.2
82.99845	0.5
98.97589	9.7
99.97929	0.4
101.00894	3.0
102.00966	0.3
102.96896	0.4
103.00583	0.3
116.98633	5.4
119.01929	6.5
120.02051	0.6
121.01659	0.5
122.97819	0.2
123.98678	0.3
124.02483	0.5
134.99684	1.6
137.02974	0.9
140.98840	1.2
142.03488	3.0
143.03603	0.4
144.03256	0.3
158.99889	3.6
160.00040	0.2
160.04544	0.7
160.90065	0.2
177.00964	16.7
178.01083	1.6
179.00700	0.3
181.03438	0.7
182.99821	2.2
196.94563	0.9
199.04561	0.8
201.00940	8.8
202.01169	0.3
202.93388	0.5
214.95607	1.6
217.95035	0.4
219.02020	100.0
220.02145	4.1
220.94608	0.4
221.02452	0.5
224.02257	0.4
226.95532	1.8
227.45639	0.5
229.45901	0.8
235.96210	0.3
238.46359	1.8
238.95520	4.5
239.95659	2.3
240.96536	0.9
241.46640	0.3
242.03589	2.9
244.02090	0.7
249.97348	1.1
250.47296	0.5
256.96698	12.1
257.44965	0.4
257.92960	0.3
257.93689	0.3
257.96747	5.7
258.96307	1.7
259.45111	0.4
261.03152	0.6
261.97275	0.4
262.03220	5.3
262.97269	0.9
263.02939	0.7
264.93854	0.3
265.95578	0.3
268.45593	0.4
268.94785	0.5
272.94559	0.7
274.94223	1.1
274.97693	2.1
275.94336	0.4
275.97772	1.0
278.12436	0.4
278.44247	0.3
279.98166	1.3
280.98560	3.1
281.98096	0.4
289.45700	0.4
289.95334	0.5
290.93124	0.3
292.60815	0.3
293.27655	0.7
298.60788	0.4
298.97702	17.5
299.27606	0.4
299.97864	0.6
304.00537	0.3
304.60443	0.3
309.95712	0.3
310.46243	0.5
316.95639	0.4
321.99268	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.144
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00055	0.3
53.03936	0.7
55.01871	0.7
55.05505	0.4
57.03429	0.8
60.43412	0.4
61.02931	0.4
61.49782	0.4
65.03936	0.5
67.05484	1.2
68.99777	1.5
69.03430	0.7
70.06603	0.4
71.01333	0.5
71.05008	0.5
71.08628	0.5
71.08961	0.7
72.08154	0.8
78.04704	1.4
79.05491	1.6
81.03409	1.0
81.07039	1.2
84.08161	0.4
85.02895	1.3
86.09709	0.5
91.05482	2.4
93.03378	0.6
93.07051	2.0
95.04964	1.8
95.08617	0.8
96.08187	0.4
97.02881	1.0
103.05464	1.6
105.03413	0.5
105.07036	1.0
106.04150	1.5
107.04947	1.6
107.08581	0.6
109.02905	0.8
109.06518	0.6
109.10114	0.4
110.07156	0.7
111.00797	1.3
111.08149	0.4
115.05443	0.5
117.07018	0.5
119.04922	1.0
121.02898	1.9
121.06544	2.4
122.03651	0.5
123.04442	7.6
124.05227	1.2
124.07603	0.5
125.06001	0.5
125.07988	0.4
125.09646	0.4
127.03929	0.7
131.04913	0.6
133.06500	1.3
134.03641	0.4
135.04424	0.8
135.08025	0.8
137.02356	4.6
137.03345	0.7
137.05963	2.4
139.03880	1.2
145.06520	0.4
147.04442	1.3
149.02348	0.6
149.05994	3.3
150.05461	0.4
151.03925	5.1
151.07600	0.4
152.04678	1.8
153.01855	6.4
153.05435	0.6
153.09123	0.6
155.04877	0.6
155.08574	0.5
161.05994	1.9
163.03912	0.9
165.01851	2.1
165.05513	1.0
166.06299	0.5
167.07059	100.0
168.07455	0.9
169.01358	0.4
171.10159	0.5
173.05974	1.4
177.05513	0.6
179.03424	0.4
179.07047	0.4
181.08612	2.4
183.02936	0.6
183.04443	0.5
183.08192	0.5
184.09772	0.9
187.03973	0.5
193.08575	2.7
201.05423	2.3
205.04936	0.4
209.08049	0.4
211.07774	0.5
211.09669	2.9
227.09146	0.5
229.04987	5.1
239.03375	0.4
243.10268	0.4
247.06029	0.6
257.04584	2.4
265.46161	0.4
267.11328	0.8
274.04776	0.8
285.04050	1.2
285.12326	1.3
303.05048	61.4
303.08337	2.4
303.13260	3.3
304.05371	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1021
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	5.5
53.04220	1.4
55.01873	12.1
55.05511	11.4
56.96296	2.9
56.96569	36.6
57.03437	28.4
57.51683	1.4
59.05005	10.3
61.02935	11.3
65.03937	1.7
67.05515	4.4
69.03086	3.0
69.03436	43.1
69.16673	7.3
69.17094	8.0
70.06590	4.3
70.98123	2.3
71.01351	13.0
71.05000	11.1
72.08155	5.6
73.02631	1.3
73.02930	15.3
73.06556	2.3
75.04474	2.5
76.91473	1.3
79.05479	2.4
81.03413	13.6
81.04564	2.3
83.01346	5.8
83.04981	6.3
84.08141	7.1
84.96039	8.3
85.02910	83.1
86.03242	3.3
86.09690	3.5
87.04469	13.8
91.03961	3.7
95.01344	12.4
95.04985	3.2
97.02901	41.4
98.03094	1.5
98.97589	100.0
99.00827	3.4
99.04455	14.0
99.97941	2.0
101.00891	7.9
101.02385	7.1
103.03971	1.7
105.02045	3.4
109.02892	10.7
110.01295	2.3
110.05999	2.0
110.97575	13.1
111.00841	2.4
111.02040	2.5
111.04453	5.8
112.99143	6.7
113.02367	14.3
114.02612	4.4
115.02358	2.5
115.03928	3.1
116.98635	28.3
117.03954	1.7
117.05482	2.2
119.01922	10.1
120.02596	2.6
122.06022	2.4
123.04427	2.9
123.06364	2.2
124.99115	2.8
125.02353	4.4
126.02535	2.2
126.97022	1.7
127.00746	1.8
127.02409	1.8
127.03925	26.5
128.10698	2.7
128.98607	8.9
129.01892	3.5
129.03094	3.3
129.03986	2.4
129.10284	2.1
131.00165	5.6
131.01917	3.9
131.03407	3.5
131.05566	2.0
133.01689	2.0
133.04973	1.7
133.06035	2.1
134.02261	2.4
134.99666	2.6
136.99146	2.5
137.02338	2.9
137.06024	2.9
138.05385	1.8
139.03986	4.3
140.02362	2.7
140.03391	13.0
140.07077	3.8
140.08154	3.0
140.98604	2.2
141.01961	9.2
141.03812	11.9
141.08536	2.2
143.00182	4.5
143.01895	9.5
143.03444	2.3
144.98108	3.7
145.01675	1.9
145.03653	2.3
145.04947	18.9
146.02325	3.0
146.99654	4.9
147.03166	5.6
148.03830	1.9
149.01248	2.8
151.03929	2.3
153.01830	5.9
153.03023	2.2
155.00197	6.2
155.01849	2.7
155.03278	3.0
155.04572	12.5
157.03490	1.7
158.99661	27.0
159.03020	4.8
159.05048	1.8
161.01227	4.9
161.02969	7.8
162.03549	2.0
162.99103	3.2
163.02759	1.9
165.01874	2.9
165.04254	2.0
167.03424	2.4
167.07071	2.2
168.03625	5.1
170.05231	1.8
170.99773	1.7
171.03145	2.5
171.05168	1.7
173.01222	6.3
173.02927	4.5
173.04431	2.7
173.06657	2.4
175.02737	2.4
176.03337	2.0
177.00745	17.2
177.04158	51.5
177.05716	3.5
179.02298	2.6
180.98067	2.2
185.06647	3.6
186.04678	27.2
186.54861	3.4
186.99203	1.8
189.00746	4.7
189.02373	1.8
189.04318	4.2
191.02264	3.3
197.01231	2.5
197.03033	2.1
197.55621	1.9
201.00694	4.4
201.04085	5.0
201.05916	3.4
203.02238	1.6
203.04085	2.0
204.05321	1.7
205.00273	1.8
207.01768	2.1
208.04829	2.5
209.03297	4.1
215.02234	2.8
215.07651	3.1
217.00223	2.4
219.01698	10.1
221.05089	3.6
222.07556	26.7
225.04227	2.7
227.06668	3.0
237.02655	7.3
239.04247	3.2
243.01718	2.6
243.04980	3.4
258.06854	3.1
261.02817	4.5
269.16840	1.8
271.04538	6.6
273.08243	4.6
275.09802	2.2
279.03973	2.2
291.07611	5.9
293.10782	9.1
298.07098	1.5
303.05096	26.5
303.10275	39.3
309.08578	15.4
310.09125	1.9
311.07587	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	303.0842
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82268	0.4
55.01890	0.4
55.05518	0.8
56.96564	7.1
57.03437	1.6
58.09906	0.3
59.04995	0.7
61.02937	0.5
61.98381	0.3
67.05515	0.6
69.03438	2.6
69.19894	3.4
69.20296	0.8
70.06580	0.3
71.01360	0.9
71.04984	0.6
71.95259	0.9
72.49870	0.3
73.02917	1.2
75.04471	0.3
81.03414	1.1
82.46106	0.4
82.55814	0.4
83.01356	0.6
83.04997	0.9
84.08155	0.6
84.33130	0.4
84.96053	1.1
85.02911	6.0
87.04456	1.1
89.62341	0.4
95.01340	1.1
95.04965	0.5
97.02905	3.6
98.21533	0.7
98.97587	100.0
99.04475	1.0
101.02366	0.5
109.02882	0.9
110.07212	0.7
110.97588	1.8
111.04463	0.4
112.99200	0.5
113.02386	2.0
115.03992	0.4
116.98626	23.0
122.07586	0.3
123.04464	0.8
124.07588	1.5
125.02438	0.4
127.03957	2.4
128.98621	1.3
131.00186	0.5
134.99667	3.1
140.00172	0.6
140.03400	0.5
141.01927	0.5
141.03810	0.6
141.05281	1.4
143.00192	0.6
145.04951	1.5
146.99617	0.5
151.03896	0.6
155.03368	0.5
155.04681	0.5
158.99663	49.4
170.99637	0.9
177.00719	26.2
177.04080	0.8
183.03362	0.4
185.04376	0.7
189.00739	0.5
195.01741	0.8
200.02330	0.9
201.00797	0.6
201.04279	1.2
219.01770	9.2
222.04567	0.5
229.05016	0.7
237.02771	2.1
243.05391	1.1
271.04236	0.4
282.45175	0.3
303.04922	2.4
303.08054	1.5
303.10611	1.3
303.13446	0.4
321.08560	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0843
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88290	9.7
56.95681	9.4
56.96555	22.5
69.03417	20.4
69.24706	42.4
69.25124	62.2
73.02901	10.6
77.02945	9.1
85.02898	43.1
97.02890	35.4
98.97598	28.0
101.00877	11.9
119.01894	10.5
122.36450	11.2
124.07627	17.5
143.01909	17.8
145.05011	10.8
173.02910	10.6
177.00731	11.0
184.05914	13.7
201.05937	12.6
257.04541	10.8
303.05310	100.0
303.08273	36.5
303.10660	37.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0566
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44498	3.2
53.03951	5.3
55.01868	10.2
56.96572	47.2
57.03450	20.3
61.02928	24.2
65.03928	4.6
68.99771	3.6
69.03435	51.0
70.06607	4.8
70.37806	5.7
70.38152	9.8
70.98106	5.5
71.01358	10.4
71.04978	7.5
73.02925	22.3
81.03425	15.1
82.99902	3.2
84.08138	3.9
84.96022	5.7
85.01425	15.1
85.02914	73.0
87.04482	13.2
91.03979	5.3
95.01403	4.3
97.02911	41.7
97.11150	3.3
98.20815	4.1
98.97594	78.4
99.04461	9.1
101.00886	48.0
101.02334	4.4
102.01521	3.3
103.02448	12.8
109.02879	10.1
109.06518	3.3
110.97585	16.9
111.00721	3.6
112.99158	11.1
113.00893	15.5
113.02395	10.3
115.02429	6.7
115.03880	5.1
116.98605	17.7
117.03991	5.2
119.00182	3.5
119.01916	81.2
121.02859	4.3
124.95493	4.1
127.00669	5.2
127.02434	9.5
127.03879	21.7
128.02316	6.3
128.98650	16.8
129.01851	5.2
129.03114	7.5
129.04018	24.6
131.00206	5.6
131.01912	29.9
131.05563	21.2
133.03471	6.6
137.03052	5.9
139.02435	4.8
140.03455	12.8
141.03862	7.6
141.04904	6.7
143.00131	8.3
143.01894	8.3
145.01711	8.5
145.03485	40.2
145.04993	12.4
146.99631	5.4
147.05106	28.1
149.03001	7.1
149.06624	13.7
153.01849	13.5
155.01897	6.0
156.97458	5.3
157.03479	26.7
158.99667	11.8
159.01257	3.7
159.05028	6.5
161.01318	4.5
161.02933	13.0
163.02754	4.3
163.04460	14.5
163.05759	3.5
164.80232	3.1
165.01842	5.3
169.04485	7.3
170.96022	9.1
170.99739	6.1
171.01375	12.6
171.05025	15.1
173.01358	8.3
173.03001	24.2
173.06596	6.4
174.99203	11.4
175.03061	5.5
175.04570	19.8
177.00775	6.4
177.02382	4.4
177.04263	4.3
178.04959	15.2
182.03410	6.5
183.02419	6.7
184.04776	4.2
184.97466	4.2
185.01357	3.9
187.00963	4.2
188.97104	6.4
189.00772	7.6
189.02443	5.3
189.06166	13.1
191.02364	6.1
191.03978	37.8
192.04663	15.6
192.54814	7.1
193.00194	7.0
193.05585	7.6
194.99100	3.9
198.98663	8.5
199.00893	15.5
199.04555	9.2
200.04575	5.3
201.00673	7.4
201.06004	4.7
202.98741	5.6
204.02892	8.0
205.00056	3.7
205.01956	6.7
205.03752	4.7
213.00128	7.3
213.03397	23.0
213.05292	10.1
217.01987	30.2
217.05505	30.9
219.01791	12.1
221.05103	6.0
222.07642	14.5
223.06665	10.3
229.05032	10.3
230.98080	5.6
231.03661	3.6
231.07111	7.3
235.06723	6.4
237.02808	8.1
239.04289	5.8
243.03577	31.6
244.99519	4.4
250.07159	5.7
257.04495	8.6
261.04639	10.0
263.00797	4.0
274.04642	4.6
303.05429	100.0
303.10126	27.9
304.05347	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	303.05
Annotation	Quercetin
Peak:m/z	Relative Intensity
51.65060	0.2
53.03952	0.3
65.03957	0.4
67.01854	0.4
68.99793	2.0
69.03430	0.2
69.17854	0.2
69.18053	0.9
69.18479	1.1
69.50979	0.2
81.03405	0.8
83.97987	0.2
93.03423	0.5
95.04960	0.6
97.02909	0.2
105.03391	0.3
106.03146	0.2
109.02861	1.0
110.51601	0.2
111.00811	1.8
115.05479	0.4
117.07032	0.3
121.02888	2.0
123.04435	0.4
127.03949	0.3
127.90178	0.2
129.07008	0.3
131.04945	0.3
135.04436	0.3
137.02359	7.6
137.03419	0.4
138.47768	0.2
145.02869	0.3
145.06500	0.7
149.02318	0.8
153.01845	9.6
155.04938	1.1
157.06464	0.3
159.04385	0.3
161.06001	0.5
163.03932	1.3
165.01857	4.4
166.02661	0.6
167.03365	0.2
173.02481	0.2
173.05974	1.2
179.03371	0.5
183.02882	1.7
183.04460	0.8
187.03922	0.7
191.03456	0.2
195.02884	0.5
201.05470	3.4
205.05006	0.5
207.02939	0.3
211.03841	0.3
213.05437	0.3
219.02925	0.4
219.06528	0.6
221.35274	0.2
225.38985	0.2
228.04216	0.6
229.04982	9.1
239.03520	0.4
247.06082	1.1
257.04483	4.9
265.54309	0.2
274.04733	1.6
275.05453	0.4
285.03961	2.3
303.05008	100.0
304.05344	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0502
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.2
53.17239	0.1
55.01876	0.3
59.47434	0.2
64.10899	0.2
64.31420	0.2
65.03934	0.7
66.40775	0.1
67.01885	0.2
67.05477	0.2
68.99800	2.9
69.03418	0.2
70.30203	0.6
71.81036	0.2
81.03423	0.7
93.03408	0.8
95.04959	0.9
98.21577	0.2
105.03438	0.3
108.01433	0.2
109.02895	1.2
111.00819	2.0
115.05463	0.3
117.06962	0.2
121.02883	2.5
123.04446	0.8
127.03927	0.4
129.06862	0.2
131.04939	0.3
135.04427	0.6
137.02365	8.2
137.03415	0.5
145.02859	0.3
145.06496	0.7
149.02356	0.8
153.01848	11.1
155.04897	1.4
155.05968	0.2
155.15207	0.2
159.04413	0.3
161.06021	0.8
163.03934	1.3
165.01843	4.1
166.02641	0.6
173.06036	1.6
177.01773	0.3
177.05466	0.5
179.03465	0.4
183.02911	1.5
183.04460	0.9
187.03934	1.1
191.03407	0.5
195.02956	0.5
201.05511	4.9
203.03561	0.2
205.04980	0.5
207.02950	0.2
211.04008	0.4
213.05473	0.3
215.03296	0.3
215.23038	0.2
219.02939	0.3
219.06613	0.7
228.04158	0.6
229.04993	10.8
239.03357	0.4
247.06142	1.3
257.04492	5.7
258.05170	0.2
274.04816	1.3
275.05469	0.3
285.03992	2.0
297.06238	0.2
303.05029	100.0
304.05344	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0499
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.3
55.01867	0.3
65.03941	0.8
67.01863	0.3
67.05480	0.2
68.99789	2.6
69.03445	0.3
69.62448	1.1
69.62842	0.3
81.03422	1.0
91.05517	0.2
93.03408	0.9
95.04954	0.9
97.02892	0.2
105.03437	0.3
107.01353	0.2
107.04951	0.4
109.02888	1.3
111.00796	2.0
117.07008	0.5
121.02871	2.5
123.04428	0.6
127.03917	0.4
129.06851	0.2
131.04907	0.5
133.02876	0.2
133.06563	0.2
135.04411	0.5
137.02354	8.3
137.03427	0.7
145.02991	0.2
145.06503	0.9
149.02333	1.0
151.03903	0.3
153.01834	12.3
155.04913	1.3
155.06078	0.3
159.04349	0.3
160.20824	0.2
161.05959	0.9
163.03903	1.5
165.01849	3.9
166.02605	0.6
173.02472	0.2
173.06000	1.6
177.01776	0.4
177.05522	0.2
179.03369	0.5
183.02890	1.6
183.04448	1.4
187.03931	1.1
191.03453	0.4
195.02957	0.5
201.05482	4.6
205.04971	0.4
207.02971	0.3
211.03932	0.4
213.05341	0.3
215.03404	0.4
219.02956	0.3
219.06554	0.5
228.04152	0.6
229.04970	10.4
233.04813	0.2
239.03423	0.4
246.05252	0.3
247.06020	1.4
257.04465	5.3
267.02814	0.2
274.04831	1.3
275.05408	0.4
285.03946	2.8
303.05002	100.0
304.05334	1.8
311.83679	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0499
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	0.2
53.78400	0.2
55.01868	0.5
65.03922	0.3
65.71612	0.2
67.01848	0.2
67.05495	0.3
68.99789	2.3
70.06241	0.9
71.45870	0.2
81.03398	0.5
93.03397	0.6
95.04961	0.6
103.94971	0.2
107.04935	0.4
109.02882	0.9
111.00815	2.0
117.07069	0.3
121.02866	2.4
123.04433	0.6
127.03889	0.5
131.04933	0.5
131.39380	0.3
135.04431	0.5
137.02348	8.3
137.03391	0.7
145.06497	0.7
149.02348	0.7
153.01834	10.1
155.04907	1.2
155.06059	0.3
159.04434	0.4
161.05974	0.5
163.03883	1.2
165.01843	3.6
166.02660	0.7
173.06006	1.2
177.01814	0.3
179.03378	0.4
183.02875	1.4
183.04420	0.9
187.03876	1.0
191.03326	0.5
195.02957	0.3
201.05484	4.7
202.57011	0.2
205.04860	0.3
211.03897	0.6
213.05513	0.3
215.03433	0.3
219.06575	0.7
221.28558	0.3
228.04172	0.5
229.04964	9.7
239.03426	0.6
247.05974	1.2
257.04468	5.0
263.17236	0.3
274.04697	1.8
275.05487	0.4
285.04056	2.5
303.04996	100.0
304.05362	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0499
Annotation	Quercetin
Peak:m/z	Relative Intensity
55.01871	0.3
57.82042	0.3
65.03931	0.4
65.24538	0.3
67.01848	0.4
67.05517	0.4
68.99791	2.6
70.61478	0.9
75.95918	0.3
81.03432	0.6
93.03410	0.7
95.04962	0.9
101.03708	0.3
107.04964	0.3
109.02869	1.2
111.00813	1.8
121.02888	2.0
122.99316	0.3
123.04459	0.4
127.03868	0.4
131.04884	0.5
133.02771	0.4
135.04401	0.5
137.02356	7.1
137.03415	0.6
145.06490	0.7
149.02312	0.8
153.01833	10.7
155.04915	1.2
157.06511	0.3
159.04379	0.4
161.05966	0.6
162.43291	0.3
163.03902	1.5
164.74992	0.3
165.01830	4.3
166.02577	0.4
173.05988	1.3
179.03456	0.4
183.02921	1.1
183.04430	1.3
187.03885	1.0
191.03375	0.3
195.02913	0.6
201.05472	4.3
205.04909	0.5
207.02847	0.3
213.05719	0.4
219.06505	0.7
228.04219	0.9
229.04956	8.4
239.03487	0.6
245.04573	0.4
247.06126	1.4
257.04453	5.0
274.04663	1.5
275.05597	0.4
285.03986	1.9
294.28934	0.3
303.05002	100.0
304.05313	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0502
Annotation	Quercetin
Peak:m/z	Relative Intensity
53.03954	0.2
55.01868	0.3
56.83941	0.1
59.59036	0.1
63.25903	0.1
65.03946	0.5
67.01861	0.5
67.05502	0.3
68.99441	0.2
68.99795	2.3
69.03424	0.3
69.61951	0.5
69.99146	0.1
70.76945	0.1
71.01355	0.1
72.08147	0.1
76.32642	0.1
79.05466	0.2
81.03415	0.8
81.07061	0.2
82.66656	0.1
85.02917	0.1
91.05468	0.2
93.03413	0.7
93.07059	0.1
95.04990	0.8
97.02921	0.2
99.00369	0.1
103.05465	0.2
105.03413	0.2
105.07049	0.1
107.01263	0.2
107.04972	0.4
107.08623	0.1
109.02889	1.1
109.10152	0.1
109.83080	0.1
110.03712	0.2
111.00813	1.9
111.04451	0.2
115.05491	0.1
117.07025	0.3
121.02886	2.2
123.04450	0.7
127.03945	0.6
129.07053	0.2
131.04956	0.4
133.02852	0.3
133.06459	0.2
135.04381	0.5
137.02361	8.3
137.03424	0.8
137.05983	0.2
139.05417	0.1
145.02858	0.3
145.06493	0.7
147.04390	0.2
149.02380	0.8
149.06056	0.1
151.03937	0.2
153.01840	9.9
155.04919	1.1
155.06036	0.2
157.06537	0.2
159.04449	0.3
161.06038	0.7
163.03941	1.4
163.07549	0.1
165.01846	3.9
166.02620	0.5
167.03488	0.1
169.01372	0.4
171.02919	0.2
171.04366	0.1
173.05998	1.6
174.40094	0.1
177.01889	0.2
177.05489	0.4
179.03423	0.5
183.02913	1.4
183.04436	1.2
187.03922	0.9
191.03377	0.3
191.07127	0.2
195.02910	0.3
201.05492	4.2
205.05029	0.4
207.02969	0.2
211.03940	0.5
213.05513	0.3
215.03394	0.2
219.02913	0.2
219.06593	0.6
228.04199	0.6
229.04980	8.5
230.05316	0.1
232.03726	0.2
233.04495	0.2
239.03476	0.3
243.03127	0.1
245.04510	0.2
246.05380	0.1
247.06017	1.4
256.03824	0.1
257.04474	4.7
258.04883	0.2
267.03024	0.1
271.09714	0.2
274.04764	1.3
275.05490	0.3
285.00842	0.2
285.03983	2.3
285.12506	0.1
286.04681	0.2
303.05014	100.0
304.05368	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0503
Annotation	Quercetin
Peak:m/z	Relative Intensity
54.04974	0.2
55.01866	0.5
55.25661	0.2
59.38570	0.2
65.03932	0.6
67.01863	0.4
67.05494	0.5
68.99805	2.1
69.03432	0.3
70.62984	0.2
70.63308	0.4
71.46699	0.2
79.05488	0.5
81.03409	0.5
81.07047	0.3
83.01346	0.2
83.08640	0.2
83.68063	0.2
91.05482	0.6
92.13429	0.2
93.03407	0.7
93.07069	0.4
95.04978	1.0
95.08597	0.3
97.02892	0.4
97.10128	0.2
103.05461	0.4
105.07082	0.4
107.08612	0.4
109.02909	1.2
111.00814	2.0
111.04422	0.3
115.05466	0.5
117.07030	0.5
119.04972	0.3
119.08590	0.3
121.02877	1.9
121.06468	0.4
123.04440	0.8
127.03916	0.6
129.06963	0.4
131.04922	0.9
135.04433	0.6
137.02361	7.4
137.03421	0.6
137.05960	0.3
145.02875	0.3
145.06462	0.6
147.11713	0.2
149.02367	0.7
151.03940	0.6
151.07588	0.4
153.01845	9.7
153.05533	0.3
153.06927	0.4
155.03676	0.2
155.04918	0.9
155.06049	0.4
155.08528	0.2
157.06589	0.3
159.04388	0.2
161.05960	0.6
163.02760	0.2
163.03900	1.2
165.01833	3.4
165.07066	0.5
166.02582	0.6
173.05989	1.4
177.01900	0.3
177.05470	0.4
179.03375	0.4
183.02892	1.3
183.04449	1.3
183.08038	0.6
185.06044	0.3
187.03874	0.9
191.03383	0.4
191.06973	0.2
195.02928	0.3
201.05486	4.1
205.05037	0.5
211.03928	0.4
211.07504	0.5
213.05573	0.3
215.03314	0.3
215.10562	0.2
219.06563	0.5
228.04218	0.6
229.04996	9.0
233.04448	0.2
239.03389	0.4
243.10120	0.5
246.05371	0.2
247.03889	0.3
247.05951	1.3
257.04477	5.3
271.09738	0.6
274.04712	1.6
275.05460	0.5
285.04047	2.6
303.05020	100.0
303.23108	0.6
304.05386	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.9986
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30397	0.8
51.17001	0.7
51.83912	0.8
54.32328	0.9
56.96572	12.4
60.56303	0.8
61.02921	2.1
62.33266	0.8
63.58267	1.0
70.04332	1.8
70.04682	2.9
71.10673	1.0
71.95269	3.4
85.02897	0.9
86.70865	1.0
97.02911	1.8
98.97593	50.7
99.97966	1.7
101.00879	7.7
102.77319	1.0
102.96827	1.3
116.98636	26.7
119.01929	17.2
120.02012	0.9
131.01965	1.3
134.99678	9.3
137.02974	2.7
140.98914	1.3
142.03514	6.0
143.01944	1.7
158.99895	4.0
160.04562	1.6
161.03026	1.0
173.03093	1.1
174.97685	1.3
176.97516	1.9
177.00984	23.8
178.89946	1.7
182.99890	0.9
192.96683	0.9
196.90932	6.2
196.94519	2.4
201.00970	6.3
201.02589	1.5
202.93538	2.0
212.92346	2.3
213.93976	2.8
214.92009	7.4
214.95663	3.0
219.02031	49.5
220.94540	2.6
221.01889	1.7
223.01433	2.0
225.00932	2.0
226.95610	2.2
227.95706	1.0
232.93011	4.1
232.96570	1.0
234.99983	1.2
235.94444	1.1
236.44336	1.0
236.94289	1.4
238.91875	3.0
238.95584	33.1
239.46411	1.5
239.95715	1.8
240.99182	1.2
242.03622	1.7
243.02026	4.1
245.94577	1.2
246.94440	2.8
247.94423	2.0
248.44466	1.2
248.96001	0.9
253.91801	2.0
254.93430	1.7
255.95244	6.0
256.45114	2.8
256.93115	16.4
256.96671	100.0
257.45105	2.2
257.96774	4.6
258.45282	2.8
258.96704	1.5
258.99988	1.9
261.03085	45.2
261.97192	10.5
262.03174	2.2
262.92349	2.2
263.92136	1.2
264.95721	1.4
265.42587	2.3
265.45398	1.3
265.92786	1.5
265.95499	2.1
267.45871	2.4
267.95148	3.0
268.45709	2.2
272.94501	4.6
273.94620	3.3
274.43167	1.5
274.94177	44.7
274.97705	20.1
275.97995	1.0
276.93118	1.2
277.01062	1.6
279.95258	1.8
279.98239	50.0
280.98593	1.1
284.99026	1.3
285.61005	0.9
290.26682	1.4
292.95175	18.5
297.95563	4.2
297.99329	5.4
298.26941	1.0
298.97653	6.8
303.01672	1.4
304.27463	0.9
314.95831	1.9
315.96350	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.1237
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.4
55.01859	2.1
57.03435	3.3
61.02921	2.7
65.03950	2.7
67.05512	38.0
69.03438	17.7
69.07079	12.4
69.94364	5.9
71.04954	1.3
73.02893	1.2
81.03394	5.4
83.38879	1.0
84.08147	4.0
85.02916	43.4
86.09698	1.5
94.06578	2.1
95.04982	58.1
97.02899	39.2
98.20853	2.5
99.04473	2.5
101.36364	1.1
103.03931	4.8
106.83298	1.1
109.02893	9.5
112.07616	37.1
113.06001	4.3
119.04965	1.2
121.06532	1.3
122.06039	1.6
123.04404	1.8
124.07593	3.3
127.03940	7.1
136.07617	3.8
137.02359	1.4
138.09190	2.5
140.07080	100.0
140.37625	1.3
145.04932	1.7
149.06015	1.4
151.07483	1.1
152.07048	2.5
153.01857	1.8
154.08646	8.5
164.07079	2.2
166.08620	4.2
178.08672	2.6
182.08154	63.7
206.08154	15.0
218.08142	2.0
236.09235	1.9
248.09222	7.6
293.39145	1.3
302.12119	3.3
303.05005	22.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.1238
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.3
55.01874	1.3
55.05516	3.5
57.03440	1.9
61.02935	1.2
61.61700	0.8
63.64921	0.8
65.07174	0.9
67.05499	3.5
68.99792	2.5
69.03436	5.1
69.07048	1.0
70.06608	1.5
71.04985	1.2
71.50705	0.9
71.51077	1.0
71.63743	0.9
72.08166	29.3
79.05521	2.2
81.03439	4.4
81.07063	3.2
84.08160	1.7
85.02435	1.7
85.02917	23.2
86.09712	10.3
91.05479	1.8
93.07015	1.1
94.06609	0.8
95.04984	3.3
97.02905	10.9
107.08625	1.1
108.08126	4.1
109.02853	4.3
111.00800	2.2
121.02870	2.8
122.06089	2.1
125.05991	2.2
126.05534	2.0
126.09164	2.2
127.03944	5.0
128.07121	1.1
130.06508	1.1
132.10254	2.2
136.07593	7.0
137.02382	7.2
137.05956	0.9
140.07091	12.7
143.11816	15.9
145.04984	2.7
146.50890	1.0
149.17525	0.9
150.09184	1.1
152.07086	5.0
153.01837	10.7
154.07198	0.9
154.08623	1.7
157.13358	3.2
163.03885	1.1
163.07437	0.9
164.07071	4.6
165.01862	3.0
169.01350	3.0
171.11278	7.4
173.05975	1.7
178.08659	5.1
182.08156	25.1
183.02905	1.5
183.04428	1.1
185.12904	1.6
195.19267	1.0
201.05453	4.4
206.08160	12.0
215.03320	1.0
216.12209	1.0
218.08183	1.3
229.04976	7.5
242.08775	0.9
247.06061	1.5
248.09229	2.2
256.18359	1.0
257.04532	4.6
274.04440	1.9
285.03961	1.6
302.03787	2.0
302.11670	4.2
303.05042	100.0
311.05054	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0413
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96563	1.1
57.02324	0.4
57.29450	0.5
57.88451	0.4
69.35406	3.7
82.99879	0.6
98.97603	10.8
101.00894	4.0
116.98637	4.6
119.01944	5.7
123.86781	0.4
134.99722	1.0
137.02916	0.6
140.98770	0.7
158.99957	3.2
165.99797	0.6
177.00975	11.4
178.01077	0.8
179.00740	0.7
182.99908	1.1
201.00945	3.3
217.04097	1.9
219.02040	18.6
220.02122	1.6
221.01842	1.9
225.01015	2.2
236.99573	0.6
243.02026	12.6
244.02107	0.8
261.03101	100.0
262.03229	7.2
263.02829	0.6
275.04407	0.5
278.96979	0.7
279.00638	2.1
279.98123	1.6
280.00925	0.5
283.00134	1.2
284.04633	1.3
284.99747	3.0
298.98859	0.5
302.97745	0.8
303.00873	3.1
303.04358	1.5
304.01233	0.6
320.98169	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1547
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18901	0.8
53.95105	0.9
57.07067	1.1
57.72359	0.9
67.05530	1.7
69.07062	1.6
70.06592	2.8
71.50273	1.3
72.08160	1.8
79.05496	2.2
81.07047	3.8
84.08148	1.0
91.05475	2.4
93.07035	2.2
95.08616	1.8
105.07037	2.5
107.08577	1.7
109.06487	1.1
109.10181	1.0
117.07052	1.0
119.08570	3.2
131.08601	1.3
145.10136	1.8
159.11670	1.8
173.13219	1.3
181.05005	1.5
183.09207	1.0
196.11147	1.3
197.10736	1.2
198.11559	2.8
199.14789	1.3
211.08691	2.3
213.10141	1.0
213.13834	3.8
214.12291	11.1
217.05063	4.4
223.12152	1.1
224.10838	1.3
225.10219	2.4
226.11028	7.8
241.09715	2.8
241.13414	9.7
245.04485	2.3
255.21150	2.2
269.12872	100.0
270.13208	1.3
272.11505	4.1
273.03833	4.8
283.17282	1.1
283.20581	0.9
285.12482	1.2
286.04752	2.2
287.13937	13.3
301.03470	7.8
301.07050	2.6
301.15427	20.7
301.21695	4.0
301.29346	9.4
311.85925	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.1239
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.9
55.05506	0.5
65.03936	0.6
67.05497	1.1
68.99802	3.0
69.03425	1.3
69.96516	1.6
70.06608	0.7
72.08163	3.3
79.05493	0.6
81.03420	1.5
81.07053	0.7
82.06605	0.8
82.68694	0.3
83.08625	0.3
84.08178	0.3
85.02924	4.2
86.09705	1.4
91.05482	1.2
93.03410	1.0
94.06532	0.4
95.04968	1.2
97.02911	2.4
97.06516	0.4
103.03941	0.5
105.03418	0.4
107.04972	0.4
108.08147	0.5
109.02877	2.0
109.06510	0.4
111.00804	2.5
112.07657	0.4
117.07018	0.5
121.02903	3.0
122.06036	0.6
123.04459	0.7
124.07648	0.4
125.06023	0.6
126.05567	0.7
126.09169	0.7
127.03927	1.4
128.07082	1.9
129.07054	0.4
131.04997	0.5
133.02792	0.4
135.04405	0.7
136.07571	1.0
137.02364	9.6
137.03432	0.7
137.05991	0.6
140.03384	0.5
140.07079	3.5
143.11787	2.2
145.02896	0.3
145.04956	0.7
145.06525	0.8
149.02357	1.1
152.07088	1.2
153.01840	11.0
154.08636	0.8
155.04889	1.2
157.06548	0.4
157.13348	0.4
163.03940	1.7
164.07101	1.1
165.01872	4.5
166.02544	0.4
169.01341	0.5
171.11343	1.0
173.06064	1.6
177.05670	0.4
178.08658	1.2
182.06844	0.5
182.08174	5.0
183.02905	1.6
183.04489	0.8
186.09155	1.4
187.03918	1.1
200.04683	0.4
201.05475	4.0
205.05118	0.5
206.08139	2.2
211.03784	0.6
215.03448	0.3
219.03059	0.4
219.06438	0.5
228.04251	1.0
229.04997	9.8
239.03496	0.7
247.06076	1.3
248.09142	0.6
253.88199	0.3
257.04504	4.4
259.06165	0.7
274.04794	2.1
285.03943	2.0
287.05472	0.7
302.03973	0.8
302.07736	0.7
302.11606	1.2
302.15793	0.7
303.05029	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.3055
Annotation	Sphinganine
Peak:m/z	Relative Intensity
55.05517	0.2
57.07078	7.7
58.06605	0.6
60.25352	0.1
62.06089	0.5
68.05018	0.3
70.06595	12.8
70.67818	0.3
71.08636	3.1
73.72881	0.1
74.06106	0.2
84.51290	0.1
85.10188	1.4
86.06048	0.4
88.07634	16.6
102.08494	0.2
102.09182	4.2
106.08674	8.7
151.33809	0.1
154.89990	0.1
165.02927	0.1
208.44748	0.1
240.26869	0.3
258.27847	0.6
281.53110	0.1
284.29489	6.7
302.30533	100.0
303.30875	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1046
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	6.0
54.59446	2.3
55.01873	8.1
55.05517	5.7
56.16781	1.9
56.96296	4.6
56.96570	54.0
57.03441	13.2
57.07080	2.4
59.05001	4.3
59.17376	1.9
61.02931	10.2
67.05515	7.2
69.03432	34.1
69.07087	3.2
70.06590	10.4
70.98138	3.0
71.01350	11.8
71.04997	8.0
71.95273	3.5
72.08157	13.6
72.93813	2.4
73.02927	15.1
73.06553	6.1
75.04476	2.3
79.05512	4.0
81.03419	10.9
81.07094	2.6
83.01334	2.0
83.04996	8.0
83.95139	2.4
84.04517	2.6
84.08146	8.3
84.96053	6.9
85.02907	55.7
85.07698	2.5
86.03287	2.4
86.09708	6.8
87.03973	2.3
87.04482	8.7
87.33153	2.3
91.05517	3.4
93.07056	2.5
95.04964	5.1
95.08593	2.2
97.02345	5.1
97.02896	37.9
97.06540	2.6
98.03196	2.8
98.97591	100.0
99.04453	7.4
100.99163	6.8
101.00864	5.2
101.02366	2.9
102.96941	3.8
105.02063	2.4
106.02872	4.1
107.04966	2.9
109.02899	5.9
109.70894	2.6
110.01285	3.6
110.07229	2.7
110.97578	24.8
111.04449	5.6
112.07632	3.5
112.99138	34.1
113.02393	3.8
113.03532	3.6
115.00786	2.2
115.03973	4.4
116.98632	28.4
118.02866	2.6
119.00177	3.4
119.01881	10.0
120.02594	2.8
120.08190	2.4
121.06521	2.1
121.08473	2.8
122.06056	5.1
124.07559	2.8
124.99131	3.8
125.03701	2.8
126.09171	3.7
127.00702	4.5
127.03979	10.0
128.98633	15.6
129.02019	2.0
129.03090	2.5
130.08629	6.0
131.00182	23.0
131.01971	3.9
131.03571	2.4
131.04942	3.1
133.01718	3.5
134.99704	7.6
135.04463	5.0
137.06012	2.8
138.05518	2.6
138.09120	3.1
139.03972	18.8
139.09541	3.2
140.02400	3.7
140.03424	42.5
140.07109	4.0
140.98639	2.6
143.00172	7.0
143.01918	5.3
144.98096	2.2
145.01755	9.3
145.03412	5.4
145.04999	6.2
146.04131	3.4
146.99669	5.8
147.03188	8.6
147.04356	3.5
148.03917	4.6
149.01247	7.6
149.02823	2.6
149.06006	3.5
152.07066	3.0
153.03001	2.3
154.03897	4.0
155.00116	2.4
155.04631	16.9
155.54845	3.1
156.03360	4.6
156.14992	4.0
156.98053	2.3
157.03465	3.5
158.97528	2.1
158.99641	31.5
160.02667	3.5
160.03879	3.3
161.01132	5.0
161.02988	4.4
161.04683	6.9
162.99008	2.9
163.02783	5.7
163.04068	2.2
164.05183	3.8
165.04289	2.4
167.07054	8.6
168.03377	3.2
168.55569	4.4
169.04422	30.7
169.05753	3.1
169.09763	3.8
170.05222	5.6
170.99692	5.0
173.01268	14.3
173.06525	2.9
174.99117	3.2
175.02847	11.4
175.04623	4.0
175.06277	9.4
176.05212	4.7
177.00734	19.8
177.05721	6.8
177.56169	5.0
178.03462	3.0
178.04950	56.5
178.55197	4.0
182.03389	2.5
183.55838	4.0
185.01320	2.7
186.04433	7.2
187.02760	3.3
189.00745	6.9
189.04323	2.5
189.55820	2.4
190.03726	3.2
191.02295	9.0
191.03935	2.6
191.05946	4.1
192.04662	5.1
192.42592	2.0
193.03845	14.3
199.04564	6.3
201.00793	5.3
204.05342	5.0
208.04800	3.3
211.04935	7.2
215.02229	2.7
217.00313	4.2
217.03886	3.3
219.01807	31.8
220.02222	2.8
220.07776	3.2
221.05128	3.0
227.06837	7.0
227.56900	2.7
228.05360	3.8
229.00162	3.2
233.03400	3.8
234.99084	4.3
237.02844	29.4
237.08064	19.0
238.03246	2.7
239.04501	4.7
241.05894	2.4
250.07097	5.0
259.07513	14.3
283.06158	4.1
291.07550	9.8
301.09180	15.1
301.14413	4.8
309.08554	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	300.0394
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90690	0.8
56.20900	0.8
56.96566	100.0
57.03435	3.1
58.79823	0.9
61.02936	1.7
63.57816	1.0
69.03429	5.0
69.03728	0.8
69.18738	9.1
70.06585	0.8
71.01340	2.6
71.03896	0.9
71.04968	1.4
71.95258	2.5
72.96033	1.6
73.02901	1.5
73.61973	0.8
74.97607	9.8
81.03441	1.8
84.08145	1.0
84.96027	3.9
85.02904	8.6
87.04443	1.4
91.03938	1.2
92.05018	1.4
92.35373	0.8
94.06573	2.6
97.02895	5.8
98.96939	2.2
98.97584	40.7
99.04461	1.2
100.99149	1.0
101.00887	2.5
109.02895	1.2
110.97580	2.9
111.02057	1.0
113.02398	1.3
115.00706	3.0
116.98633	15.1
117.02148	0.9
119.01900	3.3
127.00687	20.9
127.03920	2.8
128.98598	2.1
129.02252	27.4
129.03200	1.4
131.01950	1.9
132.99883	1.1
133.01782	1.5
134.99667	5.4
136.07593	1.0
136.99084	0.9
137.05966	1.8
138.05507	62.6
142.01808	1.1
142.96519	1.9
143.00209	1.9
143.01912	2.3
144.98112	1.3
145.01733	22.4
146.99634	2.0
147.02084	1.3
147.03294	24.4
155.00180	12.1
155.01834	1.3
158.06627	0.9
158.99649	2.5
160.97581	4.6
161.01224	1.5
162.99150	1.0
163.02809	9.2
165.04385	2.7
168.03374	1.1
170.99724	1.4
171.01309	1.3
173.01228	23.1
173.02780	1.5
175.02744	1.0
177.00838	1.3
178.98691	4.9
185.02956	1.7
186.04424	1.7
186.07994	1.3
187.02808	1.5
189.04369	1.7
191.02278	56.3
192.04646	1.2
197.01256	3.6
197.03192	1.0
198.00777	1.1
204.08969	1.4
205.03754	1.1
209.03336	48.3
212.07645	1.3
214.03989	1.8
215.02272	11.3
216.01785	1.9
216.07281	1.0
219.01782	1.7
221.03316	1.8
227.04352	6.6
232.04868	1.8
232.08513	1.1
233.03326	7.8
259.01221	2.4
277.02307	30.1
295.03339	12.6
300.10788	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	300.0482
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.0
55.05506	0.7
56.96557	2.5
57.03434	2.5
61.02920	2.0
62.06083	1.6
69.03432	5.3
70.06575	1.2
71.01344	2.6
71.50145	0.9
72.08142	2.0
73.02914	1.5
81.03420	1.7
83.01346	0.8
85.02908	9.5
87.04476	2.7
92.04990	2.0
94.06586	3.4
96.04498	0.6
97.02901	5.7
98.97590	5.8
101.00866	2.2
109.02868	0.9
110.06047	2.2
110.97572	1.0
113.00878	1.3
115.02480	0.8
115.03913	1.0
116.98610	1.4
119.01917	2.1
121.06487	0.9
127.03933	1.5
131.01889	1.9
138.05502	100.0
142.01744	1.3
143.01909	3.0
145.03484	1.1
145.04967	1.2
155.01865	1.9
157.03503	1.4
161.03073	1.6
167.01932	0.6
168.03352	0.7
173.01324	0.8
173.02899	1.4
173.06615	0.9
177.04028	0.7
179.02003	0.6
185.02974	1.1
185.06686	1.3
186.04373	2.8
199.00809	0.8
202.05890	1.0
203.04030	0.9
204.05345	2.2
212.13974	0.7
212.16464	0.9
215.07735	0.7
219.01768	0.7
219.07362	0.9
219.09631	0.9
232.04910	1.4
237.02762	0.8
239.04539	1.0
275.09695	1.3
280.12967	0.6
281.05304	0.8
293.10782	2.8
295.03421	1.6
300.04977	2.2
300.10760	32.7
300.14319	1.2
301.08844	1.6
321.10419	0.8
322.46445	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2583
Annotation	(-)-cis-9,10-Epoxystearic acid
Peak:m/z	Relative Intensity
55.05516	11.2
57.03441	28.2
57.07081	66.1
65.72771	2.0
67.05502	18.0
69.07075	18.8
71.08631	40.2
71.50600	2.2
75.04478	1.6
78.07807	1.8
79.05489	3.2
81.07052	18.2
83.08626	11.1
84.40192	1.7
85.10183	23.8
87.69665	1.6
89.06026	2.7
91.05466	2.3
93.07040	4.2
95.08619	31.3
97.06532	2.2
97.10193	5.9
103.07557	2.2
105.07021	3.6
107.08601	2.2
109.10181	13.2
109.76192	1.6
111.11707	2.8
119.08586	3.1
120.21797	1.9
123.11698	3.8
125.13231	1.8
133.22023	1.9
136.18097	1.6
137.13287	3.5
141.57089	1.6
159.11829	2.7
197.62335	1.8
215.51154	1.6
225.22113	8.0
228.61377	2.0
243.23203	8.6
282.27930	3.6
299.20135	5.4
299.25818	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1491
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99860	1.4
53.03935	3.7
55.01876	7.1
55.05515	18.6
59.04987	4.3
66.15748	1.3
67.05516	13.7
69.03424	4.1
69.07058	3.0
71.04999	3.6
71.46317	2.8
79.05512	7.8
81.03406	2.3
81.07065	11.6
83.04989	100.0
85.02924	1.8
85.06557	8.1
91.05493	12.3
93.07055	13.2
95.04971	9.0
95.08624	18.6
97.06514	5.4
99.04448	3.8
101.05996	2.5
103.05472	2.3
105.07040	17.5
107.04941	4.9
107.08612	11.1
109.02867	1.9
109.06511	12.7
109.10135	2.6
111.08055	3.5
112.02182	3.1
113.05991	3.6
113.72675	1.7
115.05437	2.8
117.07016	4.9
119.04893	2.1
119.08587	11.9
121.02849	2.0
121.06502	10.3
121.10149	5.1
123.04423	15.7
123.08076	21.2
125.05962	2.0
125.09617	3.5
126.09081	2.8
128.06184	2.1
129.07018	11.3
131.08571	13.1
133.06474	5.0
133.10132	7.3
135.04451	2.4
135.08063	11.4
135.11693	1.5
137.02332	5.0
137.05969	12.8
137.06891	2.1
137.09633	4.5
139.03896	2.3
139.07564	3.1
141.07016	1.7
141.09143	2.6
143.08546	3.5
145.06532	3.5
145.10117	5.5
147.08047	24.5
147.11635	2.1
149.05977	6.0
149.09659	7.1
151.07542	12.2
155.07042	2.1
155.08505	1.9
156.09346	3.3
157.06496	4.4
157.10118	2.9
159.08095	14.8
159.11684	4.5
160.05241	4.0
161.05968	4.0
161.09653	2.8
161.13243	2.3
163.07513	9.7
163.11163	2.6
165.06952	2.3
165.09126	12.9
167.07076	2.5
170.12848	1.6
171.11719	5.0
173.13257	1.9
175.07573	35.3
175.11137	3.5
177.09119	17.6
177.12712	3.4
179.06993	2.8
181.08722	2.2
187.07524	1.9
187.11230	2.6
189.12714	6.5
191.10672	4.2
193.08618	71.4
194.06400	8.9
195.10158	4.8
199.11157	3.5
203.10670	3.2
205.08646	14.0
205.12247	12.9
207.13799	2.4
215.10803	2.0
217.12321	12.3
219.13719	5.3
223.09612	5.0
227.10744	2.9
233.11694	7.4
235.13239	5.4
241.10689	7.3
245.11806	4.8
251.12752	6.9
253.14388	2.2
263.12805	43.4
269.13782	7.7
281.13904	9.1
299.05588	4.3
299.09357	3.8
299.14801	7.0
299.66122	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1491
Annotation	T 2 toxin tetraol
Peak:m/z	Relative Intensity
50.99860	1.4
53.03935	3.7
55.01876	7.1
55.05515	18.6
59.04987	4.3
66.15748	1.3
67.05516	13.7
69.03424	4.1
69.07058	3.0
71.04999	3.6
71.46317	2.8
79.05512	7.8
81.03406	2.3
81.07065	11.6
83.04989	100.0
85.02924	1.8
85.06557	8.1
91.05493	12.3
93.07055	13.2
95.04971	9.0
95.08624	18.6
97.06514	5.4
99.04448	3.8
101.05996	2.5
103.05472	2.3
105.07040	17.5
107.04941	4.9
107.08612	11.1
109.02867	1.9
109.06511	12.7
109.10135	2.6
111.08055	3.5
112.02182	3.1
113.05991	3.6
113.72675	1.7
115.05437	2.8
117.07016	4.9
119.04893	2.1
119.08587	11.9
121.02849	2.0
121.06502	10.3
121.10149	5.1
123.04423	15.7
123.08076	21.2
125.05962	2.0
125.09617	3.5
126.09081	2.8
128.06184	2.1
129.07018	11.3
131.08571	13.1
133.06474	5.0
133.10132	7.3
135.04451	2.4
135.08063	11.4
135.11693	1.5
137.02332	5.0
137.05969	12.8
137.06891	2.1
137.09633	4.5
139.03896	2.3
139.07564	3.1
141.07016	1.7
141.09143	2.6
143.08546	3.5
145.06532	3.5
145.10117	5.5
147.08047	24.5
147.11635	2.1
149.05977	6.0
149.09659	7.1
151.07542	12.2
155.07042	2.1
155.08505	1.9
156.09346	3.3
157.06496	4.4
157.10118	2.9
159.08095	14.8
159.11684	4.5
160.05241	4.0
161.05968	4.0
161.09653	2.8
161.13243	2.3
163.07513	9.7
163.11163	2.6
165.06952	2.3
165.09126	12.9
167.07076	2.5
170.12848	1.6
171.11719	5.0
173.13257	1.9
175.07573	35.3
175.11137	3.5
177.09119	17.6
177.12712	3.4
179.06993	2.8
181.08722	2.2
187.07524	1.9
187.11230	2.6
189.12714	6.5
191.10672	4.2
193.08618	71.4
194.06400	8.9
195.10158	4.8
199.11157	3.5
203.10670	3.2
205.08646	14.0
205.12247	12.9
207.13799	2.4
215.10803	2.0
217.12321	12.3
219.13719	5.3
223.09612	5.0
227.10744	2.9
233.11694	7.4
235.13239	5.4
241.10689	7.3
245.11806	4.8
251.12752	6.9
253.14388	2.2
263.12805	43.4
269.13782	7.7
281.13904	9.1
299.05588	4.3
299.09357	3.8
299.14801	7.0
299.66122	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1493
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	11.6
55.01867	33.6
55.05315	7.3
55.05516	81.5
56.96566	24.4
57.03425	34.9
59.04989	19.0
61.81870	9.0
64.93634	8.0
67.05504	23.5
68.99777	8.9
69.03429	44.2
69.07065	16.0
70.06583	16.7
70.98868	19.4
71.01337	9.4
71.05008	12.4
72.08141	15.2
73.06581	11.8
79.05488	30.1
81.03400	18.1
81.07050	32.8
83.01340	24.0
83.04994	72.2
83.06084	10.5
83.08588	10.6
84.08115	16.3
85.02917	81.4
85.06543	10.0
86.09709	14.5
87.00861	9.3
91.05478	54.8
93.07043	23.9
94.06551	8.5
95.01328	20.8
95.04964	25.2
95.08611	22.1
97.02905	41.3
97.06541	18.6
98.97596	17.3
99.04454	25.0
101.06026	96.1
105.07069	44.0
107.04948	30.3
107.08608	48.1
109.02899	10.6
109.06508	29.8
109.32034	8.5
110.06065	15.1
111.04432	35.4
111.08081	13.1
113.02362	20.7
115.05468	16.6
116.98634	15.3
117.06985	27.1
119.04963	10.9
119.08572	39.0
121.06483	23.3
121.10103	12.3
123.04425	17.8
123.08071	20.1
124.03907	23.1
125.04291	17.8
125.05978	22.8
125.09650	100.0
127.03909	8.6
128.06200	11.0
129.06927	13.9
131.08582	16.1
133.06502	16.8
133.10106	24.1
135.04451	14.2
135.08046	65.4
136.06146	15.9
136.07597	19.2
137.02306	14.6
137.05945	54.6
137.09633	15.3
138.05534	12.9
138.09184	11.5
141.01826	27.1
143.08536	32.4
145.06488	13.8
145.10112	15.8
147.04413	11.1
147.08051	15.6
147.11702	19.6
149.05980	11.4
149.09601	13.0
151.03925	17.5
151.07532	19.4
151.11227	11.5
156.09277	11.5
157.10165	13.2
159.08025	21.3
161.06041	10.2
161.09631	43.5
161.13283	12.9
163.07587	73.9
165.09090	17.9
167.07004	13.7
171.08043	17.5
171.11629	24.5
175.04404	13.5
175.07596	23.6
175.11189	29.3
177.09074	21.1
179.10667	13.7
180.06453	8.8
187.13329	10.3
189.09163	42.1
189.12737	53.9
195.06525	11.1
199.11185	24.4
201.05727	10.2
203.07242	10.5
207.10164	74.4
207.13742	13.7
217.12213	84.4
227.10640	12.7
235.13300	33.1
245.11755	88.6
247.39211	8.8
253.14374	11.4
263.12808	76.6
266.99722	9.4
271.04501	33.2
281.13870	24.6
283.02991	11.8
299.05890	61.8
299.09528	40.4
299.15546	13.7
301.06082	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	299.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20501	1.3
55.05507	3.2
58.40941	1.1
64.04734	1.0
65.03947	6.5
65.04230	1.1
66.03461	1.5
67.05505	2.1
70.62707	2.4
70.63055	1.4
71.04972	1.5
74.72832	1.0
78.04704	1.1
79.05486	4.4
80.05021	1.7
81.05801	1.3
81.07055	2.3
82.06585	4.6
85.00282	1.1
89.03915	2.7
91.05488	85.9
93.03436	5.3
93.05804	2.5
93.07048	3.3
94.06570	14.7
95.04988	1.4
95.07338	1.5
95.08601	1.2
96.08139	10.9
99.04478	1.1
100.07631	1.8
100.11258	3.7
104.17187	1.1
105.07021	1.6
106.06567	7.5
107.07355	2.8
107.73623	1.1
108.08119	18.6
109.06522	1.9
111.04423	1.9
116.04986	76.6
117.05786	22.1
117.06993	2.1
118.06548	19.2
120.04513	1.1
120.08121	15.6
122.06063	1.7
124.06709	2.1
124.07608	25.3
128.07106	1.9
130.04066	1.7
132.08122	1.9
134.06015	4.2
136.07573	5.2
137.05991	2.2
138.09218	1.5
141.11504	1.2
143.07289	1.2
144.08119	6.5
145.10141	1.7
146.06018	66.9
147.11668	1.1
148.07524	10.2
152.07123	2.2
164.07072	70.9
166.08781	2.7
167.07329	1.6
167.08620	1.2
168.08139	1.7
169.08871	1.3
170.09654	1.1
172.07582	6.8
175.07626	1.9
180.08177	1.5
182.09737	2.0
182.15413	3.0
183.09180	2.3
184.09972	2.4
184.11359	2.4
192.08133	2.9
193.08926	7.2
195.09134	5.9
196.09930	2.8
196.11479	1.8
197.10701	2.4
199.18103	1.3
202.38791	1.1
204.66490	1.4
207.10414	1.2
208.11295	8.4
209.10753	21.7
210.09395	1.7
210.11516	36.5
210.14819	2.5
211.12389	1.7
212.10764	1.1
218.66312	4.1
220.08018	1.2
220.09958	6.0
221.08383	3.6
221.10814	4.5
223.08551	1.4
223.12404	7.7
224.13123	9.6
225.10359	2.8
225.13882	46.4
235.12296	10.9
236.10652	4.8
236.12781	1.1
237.10263	3.3
238.11037	12.7
241.13445	4.6
243.15057	1.2
251.11739	1.4
253.13382	100.0
255.14859	1.2
263.11929	1.7
266.10577	1.5
271.14438	42.0
281.12869	61.1
282.19351	3.2
299.05551	3.2
299.13916	85.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0979
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	2.3
55.93507	0.6
56.62452	0.5
56.96570	4.4
61.59189	0.5
62.16083	0.5
67.05505	0.6
69.02691	0.5
69.07051	0.8
69.62821	0.6
69.63112	3.1
69.96169	0.7
70.95881	3.2
71.95264	1.4
73.02915	0.5
81.07069	0.7
82.99862	1.5
83.04976	3.0
83.08599	0.6
85.01423	1.3
87.63390	0.5
88.96870	0.5
98.97594	26.7
99.04433	0.9
99.97926	3.7
101.00889	6.3
103.02443	4.4
111.04455	2.3
113.06020	1.2
116.97830	0.9
116.98631	14.7
117.98970	2.1
119.01933	15.8
120.01983	1.1
121.03474	1.5
125.04508	0.7
127.07593	2.5
129.04028	0.5
130.93307	0.7
131.96129	0.6
132.96649	0.8
134.99673	4.9
135.99953	1.1
137.02998	2.9
137.06015	0.5
139.06042	0.6
140.00307	0.5
141.03981	2.0
143.05562	6.6
145.03470	7.2
147.05031	4.9
149.97218	0.7
153.00766	0.5
155.05746	1.0
155.07039	14.0
155.08264	1.1
156.96597	0.8
157.03552	0.6
157.07143	6.2
157.22845	0.6
159.05069	1.4
161.06606	7.6
163.04547	6.8
165.06168	2.3
169.03384	0.9
169.07118	3.8
171.05032	3.4
172.94400	0.8
173.06664	0.9
174.97638	3.3
175.08165	8.5
177.00975	3.0
178.01053	2.4
179.00787	0.6
180.18883	0.5
183.05127	0.7
183.08731	1.4
185.06622	8.3
187.04594	2.4
187.08168	13.0
189.04434	1.0
189.06111	15.7
190.95375	1.0
191.95007	1.9
192.98769	2.7
195.05074	2.0
201.00934	0.6
201.06172	0.6
201.09712	2.2
203.02481	0.6
203.07672	3.3
205.05559	1.0
207.07164	1.5
208.96095	1.1
209.96071	2.1
210.95923	0.7
211.04523	6.7
211.08034	1.2
213.06126	6.8
213.09691	4.3
214.95595	2.4
216.98651	0.5
219.02011	5.0
220.02158	3.2
221.01869	1.5
222.01912	0.6
229.05664	2.9
231.07271	2.6
231.10747	1.0
232.96690	5.4
233.96120	3.0
234.03706	0.6
234.99802	0.9
237.06075	1.2
239.07689	1.4
240.98874	0.7
243.02025	0.7
244.02200	1.4
247.06461	0.5
250.97711	2.3
251.97063	2.6
252.96660	1.6
255.07138	3.0
255.10765	5.7
256.96643	6.6
257.03656	0.9
257.08771	5.4
257.96829	1.4
258.03394	0.7
258.99808	7.0
261.03149	3.1
262.03192	12.8
263.02991	1.4
274.97568	13.0
275.04422	0.8
275.97592	18.2
276.04468	2.6
276.97177	1.9
277.00839	7.1
292.98669	3.1
293.98584	7.5
294.98022	1.2
298.97781	17.5
299.09775	100.0
299.18790	1.6
299.97980	1.4
300.09879	3.2
316.98843	22.5
317.07379	0.6
317.10867	4.0
317.98999	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.2745
Annotation	(+)-Lepadin D
Peak:m/z	Relative Intensity
50.00890	0.8
53.03947	1.3
55.05271	1.1
55.05518	13.4
56.05042	6.5
57.07084	4.2
58.02955	2.0
60.04534	4.7
65.03938	2.3
67.05513	19.9
68.05024	2.9
69.07069	11.6
70.05364	0.7
71.08678	1.6
72.04522	1.2
72.63293	0.7
79.05502	13.1
80.05012	2.5
81.03438	1.2
81.07070	17.0
82.06587	9.7
82.91068	0.7
83.04987	1.3
83.08633	9.2
84.08163	1.0
85.10191	1.2
86.06077	2.4
90.08928	0.7
91.05490	8.5
93.07059	7.8
94.06571	4.2
95.04994	1.2
95.08621	13.7
96.08128	2.4
96.08900	0.9
97.06547	1.2
97.10178	3.0
98.06070	1.1
100.07648	1.9
105.07060	4.3
107.08591	4.5
109.10159	5.3
112.07635	1.1
119.08597	3.8
121.10136	4.3
122.09651	1.0
123.11697	1.7
123.26522	0.9
133.10143	2.9
135.11691	2.0
136.06189	4.4
137.13278	0.9
147.11665	1.2
191.17949	0.9
207.96875	0.9
245.22656	1.1
250.25330	9.4
262.25403	3.9
280.26392	100.0
281.26804	1.0
298.18747	1.2
298.27457	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	298.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.5
55.01871	6.0
55.05524	12.5
56.96576	44.9
57.03439	14.9
59.04714	4.9
59.05011	100.0
61.01147	3.4
61.02926	7.8
67.05511	5.6
69.03441	33.6
69.07070	8.7
70.06584	7.1
70.09270	2.8
70.09606	10.2
70.98157	2.9
71.01369	11.4
71.05010	6.8
71.95271	3.2
72.08159	8.5
73.02914	6.8
73.06548	6.1
79.05482	6.7
81.03419	8.1
81.07079	2.5
83.01321	2.9
83.04972	4.3
84.04504	3.7
84.08145	9.0
84.96050	12.9
85.02914	46.7
85.06557	6.5
86.03242	2.6
87.04476	9.0
91.05501	6.8
93.07043	3.7
95.04977	6.7
96.08116	2.6
97.02904	39.2
97.96808	2.7
98.97598	95.1
99.04454	5.5
101.02378	2.4
101.06029	93.3
102.02419	2.5
102.96923	2.8
107.04951	4.9
108.08121	6.5
109.02901	8.2
110.97597	21.4
111.04436	4.0
112.99152	3.4
113.02370	3.9
115.02386	3.5
115.03962	2.4
116.98636	39.6
118.06541	6.5
119.01839	5.9
119.07078	31.9
120.08116	3.9
121.06558	2.6
122.05935	3.3
122.08366	2.3
123.04475	3.6
124.03957	5.7
124.07602	8.3
124.99118	3.8
127.03928	9.2
128.98610	16.0
129.01860	8.6
129.10240	2.8
130.08688	4.7
131.00174	3.5
131.03520	3.6
133.07619	6.7
134.07918	2.5
134.99672	10.4
135.04414	2.7
136.06203	63.7
136.07568	7.5
136.09737	4.0
137.05994	6.1
140.07040	3.6
142.00937	2.7
143.00154	8.1
143.03452	2.7
144.98103	4.4
145.01707	3.3
145.03445	2.8
145.05045	6.7
146.07967	4.7
146.99651	9.6
147.03220	2.6
148.08704	5.4
149.01257	2.8
150.09128	2.6
152.05711	8.6
152.07053	4.4
153.04044	3.4
155.04630	11.2
155.54817	5.8
156.03398	4.9
156.98061	5.0
158.99675	20.2
159.03244	3.1
161.01260	5.9
161.02971	2.8
161.04662	3.8
162.05473	4.5
162.99135	5.7
163.04126	2.6
163.08701	10.0
164.09036	20.0
165.08958	4.5
166.07286	24.2
166.09752	4.0
167.07054	3.0
168.03734	2.7
168.98132	2.9
170.99690	5.4
174.04401	4.5
174.99144	5.5
175.02577	2.1
175.04387	13.1
177.00737	11.8
178.09734	2.6
179.02217	2.9
180.08765	3.1
182.99719	4.8
184.97600	5.0
185.01192	3.7
185.06555	2.4
185.97816	4.3
186.04420	7.8
186.99107	3.0
189.00723	4.9
189.04207	2.6
191.03899	5.4
193.10931	15.0
201.00688	4.8
202.98572	6.1
203.98984	7.8
204.05374	4.0
205.03764	5.3
211.02797	4.0
216.01897	4.4
217.00247	3.8
217.05563	3.0
217.07269	13.0
219.01828	21.5
226.07732	8.0
229.03847	5.6
232.05840	2.9
233.06831	24.2
233.57079	7.3
237.02866	15.4
238.03658	3.1
239.11386	21.9
247.06670	5.5
249.18750	2.5
252.06226	2.9
256.07132	4.1
274.06967	4.4
274.97562	12.0
275.00522	5.1
279.03824	2.9
279.07385	2.8
291.07602	4.5
292.07901	3.6
292.98480	5.4
298.09192	5.6
298.14767	41.5
298.18073	9.8
299.06143	2.8
300.06262	3.2
309.08624	14.1
310.09076	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	297.9914
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96571	9.4
65.98113	0.9
70.48106	2.7
70.48464	1.0
70.95881	1.6
71.95264	3.5
72.81295	1.3
80.64994	0.8
84.30045	0.8
88.61594	0.9
89.76173	0.8
98.97593	100.0
101.00903	1.8
116.98634	31.7
134.99673	7.1
165.62468	1.0
166.31120	1.0
172.94415	5.9
177.00945	2.1
190.95119	3.2
196.89302	1.0
201.01105	1.0
211.64046	0.9
214.95496	3.8
219.02068	3.9
221.01891	1.1
232.96359	6.2
250.97318	1.8
256.96454	16.2
261.03104	12.6
274.97495	75.2
275.04565	2.5
277.00949	1.1
292.98547	30.1
298.18674	1.8
299.09738	1.0
310.05042	1.0
316.98712	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.097
Annotation	5'-Deoxy-5'-(methylthio)adenosine
Peak:m/z	Relative Intensity
52.11710	0.1
54.77216	0.1
57.03413	0.2
59.60599	0.2
61.01157	5.0
64.32426	0.1
69.03427	0.6
69.75830	0.4
69.76239	0.7
70.06598	0.2
72.08135	0.2
75.02711	2.4
79.94057	0.1
81.07066	0.2
84.06264	0.1
91.05470	0.2
91.80246	0.1
94.04059	0.4
97.02911	1.4
103.02191	0.3
109.08816	0.1
119.03536	1.1
136.06197	100.0
137.04643	0.2
137.06525	0.5
145.03185	1.5
163.04265	1.3
166.08678	0.2
210.19026	0.2
298.09616	2.9
298.24942	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.1288
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.9
55.01862	1.0
55.05515	1.0
55.12564	0.9
59.04993	1.4
67.05500	2.3
69.03419	1.0
70.06579	0.7
71.51742	1.2
72.08165	1.0
76.04017	1.1
79.05489	3.0
81.07058	1.6
83.08623	0.8
91.05477	3.5
93.07066	2.0
95.04959	0.9
95.08611	1.9
105.37601	0.7
106.06554	8.8
108.04480	2.7
116.04990	2.6
117.05769	2.2
120.04472	1.6
120.08098	1.2
121.10152	1.5
124.07577	1.0
130.06541	12.8
131.07327	2.5
132.08105	5.0
133.05234	7.5
134.02373	3.0
134.06036	25.5
136.06171	3.4
137.06024	0.9
146.06030	2.1
148.03954	1.0
148.07576	14.2
154.12338	1.1
158.06030	42.7
160.07510	1.7
161.04697	1.7
164.07133	1.9
166.08704	1.8
168.06537	3.2
176.07083	91.9
186.05519	5.5
194.08142	69.5
204.06572	29.8
222.07628	15.8
224.70943	0.9
225.14043	1.3
234.11276	1.8
240.08664	8.3
252.12347	57.3
253.13304	2.9
262.10849	2.6
279.40524	1.0
280.11911	4.0
281.13022	1.3
288.09296	0.8
298.12881	100.0
299.13489	1.9
308.39755	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2216
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	16.2
56.96532	2.2
66.04031	2.1
67.05518	14.7
69.07093	13.1
71.50460	2.6
72.08154	2.6
79.05457	5.3
81.07043	9.2
83.08590	2.5
86.40273	2.1
91.05484	8.4
93.07037	5.9
95.04986	2.4
95.08617	48.6
97.10183	16.2
105.07025	6.7
107.08595	5.5
109.10168	18.1
119.08604	4.4
121.06478	3.9
121.10130	3.6
131.04912	3.5
132.05722	6.2
133.10120	6.2
135.08032	3.8
136.06221	2.2
141.06992	3.5
144.05728	5.2
145.10130	5.4
147.08052	9.3
147.11713	2.7
149.09642	2.4
155.08553	2.7
157.10141	2.7
158.07254	6.3
159.08109	13.1
161.09622	4.9
163.11156	4.0
170.07240	4.2
171.08084	26.8
172.08755	3.0
173.09627	11.7
175.46404	2.5
180.09288	2.6
181.10234	2.8
183.11661	2.3
184.08804	5.3
185.09680	17.7
187.11162	3.8
189.12764	18.7
191.08606	4.6
193.10115	2.4
197.09583	6.3
198.10364	8.6
199.11226	10.9
201.12791	11.7
203.14294	4.9
211.11153	6.0
213.12761	57.5
215.14314	14.9
219.08084	23.5
225.12643	3.8
227.14314	14.4
228.15117	7.0
229.15887	3.8
237.16560	2.7
239.14296	8.9
240.15056	11.3
241.15814	13.6
254.16621	7.1
255.17487	34.2
266.12692	3.2
285.20483	2.6
297.11603	2.4
297.18600	8.5
297.22116	100.0
299.05865	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	297.2215
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96101	1.2
55.05514	12.8
57.07061	1.5
57.74426	1.2
59.71906	1.1
67.05501	14.8
68.96056	1.1
69.07066	18.2
69.17464	4.9
69.17897	8.7
72.08175	1.6
79.05483	2.8
81.07042	6.1
83.08633	3.0
85.63879	1.3
89.82057	1.3
91.05466	4.8
93.07047	3.6
95.08614	55.9
97.10178	18.1
98.20715	3.0
105.07037	3.4
107.08586	3.0
109.10163	23.5
110.90526	1.2
117.09472	1.2
119.08554	3.0
121.06498	3.0
121.10150	2.9
128.35587	1.4
129.07016	1.8
131.08609	2.1
132.05707	4.2
133.10161	3.6
135.08084	1.7
144.05708	4.5
145.06506	1.4
145.82210	1.2
146.07202	2.6
147.08052	14.6
147.11635	3.1
155.08450	1.9
157.10036	1.2
158.07300	11.3
159.08086	15.1
161.09619	6.3
163.11162	4.3
165.06932	1.5
167.08534	2.9
170.07263	5.8
171.08070	29.1
172.08836	2.3
173.09625	12.0
177.12708	1.7
178.32951	1.2
180.09265	2.2
181.10130	2.3
183.08025	2.5
184.08852	7.9
185.09615	18.5
186.10420	1.8
187.11209	2.9
189.12752	24.1
197.09680	6.7
198.10406	9.1
199.11180	16.6
200.11975	2.8
201.12785	10.8
203.14284	4.7
211.11185	6.8
212.12070	4.3
213.12750	61.8
215.14331	16.1
223.14767	2.8
225.12772	5.2
227.14317	15.0
228.15060	7.1
229.15860	2.3
239.14374	12.8
240.15109	16.1
241.15854	17.0
242.16783	1.9
253.15889	2.6
254.16736	8.7
255.17459	38.7
266.12570	2.2
269.19049	1.5
292.50189	1.3
297.22128	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1853
Annotation	MF-EA 705beta
Peak:m/z	Relative Intensity
53.03954	0.6
53.94243	0.4
55.01869	0.7
55.05503	1.3
57.35549	0.4
59.05005	3.7
65.03941	0.6
67.05509	3.7
69.03438	0.7
69.07065	2.3
69.65649	0.3
71.04980	0.6
71.52061	0.6
71.52440	0.4
78.32784	0.4
79.05502	4.2
81.03429	1.1
81.07067	6.3
83.04994	1.0
83.08613	0.6
91.05490	11.8
93.07053	6.2
95.04971	1.3
95.08611	3.3
97.06509	1.9
99.04475	0.4
99.08104	0.5
103.05471	1.2
105.03410	0.4
105.07043	11.8
107.05008	0.9
107.08608	3.9
109.06525	1.4
109.10146	1.1
111.08091	1.1
115.05457	2.4
116.06238	1.1
117.07031	9.3
119.08595	21.2
121.06520	0.9
121.10130	1.2
123.08070	1.3
123.11711	0.5
128.06230	2.4
129.07016	5.9
130.07817	6.2
131.04919	1.2
131.07596	0.9
131.08582	17.7
133.10138	3.7
135.08049	1.1
135.11711	1.2
137.06029	0.4
137.09650	0.6
139.07573	1.0
141.07013	2.0
142.07790	2.2
143.08571	7.1
144.09419	0.7
145.06512	3.2
145.10136	86.3
146.10437	0.4
147.08054	1.4
147.11693	3.1
149.06070	0.5
149.09628	0.9
149.13315	0.4
153.07037	0.5
154.07776	0.5
155.08539	3.9
156.09377	1.0
157.10141	7.4
158.10933	0.7
159.08017	0.6
159.11681	2.8
161.09642	0.8
161.13248	2.4
163.07553	7.0
163.11269	0.5
165.06995	1.2
165.12860	0.5
166.07811	0.8
167.08589	1.8
169.10167	5.4
171.11710	8.0
173.09659	0.5
173.13290	1.3
178.07806	0.6
179.08554	1.6
180.09380	0.4
181.10118	3.9
183.11705	5.0
185.09682	0.5
185.13266	2.3
190.99191	0.4
192.09393	0.5
193.10159	1.4
194.07269	0.7
194.10857	0.8
195.08040	0.5
195.11722	5.3
196.12502	0.5
197.09648	1.2
197.13306	2.5
198.14088	2.2
199.11238	0.4
205.06531	0.7
205.10182	0.6
206.10878	0.4
207.11710	1.0
209.13321	3.3
211.11057	0.5
211.13036	0.4
211.14873	1.7
213.12769	0.5
219.08272	0.4
221.13300	2.6
222.06744	1.0
222.14178	0.6
223.11383	0.4
223.14835	1.9
233.13286	0.5
235.14932	0.6
236.15663	1.0
237.09204	1.9
237.12872	2.0
237.16409	9.5
237.18665	0.7
239.10551	0.5
239.14366	0.7
240.08572	0.4
250.06471	0.6
251.14200	0.4
251.18024	4.4
253.19652	0.7
255.13852	1.6
261.16626	0.6
265.08557	2.1
267.13864	3.3
267.16394	0.6
269.18985	1.4
279.17584	3.8
282.16150	5.5
297.11398	3.6
297.18524	100.0
298.18835	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1853
Annotation	MF-EA 705beta
Peak:m/z	Relative Intensity
53.03938	2.2
55.01870	1.3
55.05508	3.1
57.03435	1.3
57.07079	1.1
59.04994	2.2
61.69183	0.6
67.05511	8.1
69.03434	1.9
69.07073	3.4
70.06596	0.6
71.04990	1.7
71.06612	0.6
71.51524	0.8
76.70872	0.6
79.05492	6.1
81.03422	3.8
81.07063	10.3
83.04977	1.9
83.08632	2.6
85.02924	1.0
85.06545	1.3
91.05488	15.2
93.07055	8.5
95.04974	3.6
95.08616	7.6
97.06543	2.2
99.04498	1.1
99.08083	0.8
100.11263	2.7
103.05471	2.8
105.07032	13.5
107.04989	3.0
107.08612	5.1
109.06516	2.0
109.10184	2.9
111.08073	1.8
111.11778	0.6
115.05475	2.6
116.06232	0.7
117.07036	10.5
119.08591	26.4
121.06522	1.6
121.10171	2.5
123.04466	0.9
123.08078	2.0
123.11732	1.0
125.05993	0.7
128.06226	1.9
129.07018	6.3
130.07805	3.5
131.04944	3.6
131.08582	19.4
133.10144	5.9
135.08040	2.3
135.11707	2.7
137.05928	0.8
139.07564	1.3
141.07028	2.4
142.07771	1.4
143.08572	4.5
145.06509	5.4
145.10135	52.7
147.08058	1.7
147.11671	4.1
147.54758	0.7
149.06007	0.8
149.09683	1.6
149.13292	1.4
151.07640	0.7
151.11171	1.0
153.09178	0.7
155.08574	4.4
156.13885	0.9
157.10138	8.4
159.08144	1.1
159.11703	4.9
161.13277	2.7
163.07561	12.4
165.06964	1.5
166.07834	1.6
167.08617	1.6
168.13858	0.7
169.10159	4.5
171.11667	3.8
173.09650	0.7
173.13287	2.3
175.11375	0.8
177.12715	1.2
178.07808	0.9
179.08607	1.9
180.09262	0.6
181.10133	3.6
183.11697	5.1
185.09703	0.8
185.13303	2.0
187.11218	1.2
189.12682	0.7
193.10202	1.3
194.07193	0.7
195.11725	5.3
195.13429	0.9
195.21475	0.6
197.09564	1.2
197.13287	2.0
198.14104	1.7
201.12807	0.8
205.06578	0.9
205.10255	1.2
205.12126	0.9
207.11752	1.2
209.09631	1.2
209.13318	2.3
211.14926	1.1
221.13342	1.6
222.06895	1.3
222.14066	0.9
223.07623	0.7
223.11264	0.8
223.14917	1.4
233.09608	0.8
237.09158	2.6
237.12791	3.7
237.16422	9.2
250.06398	1.0
251.10820	0.7
251.17950	3.2
253.19643	0.8
254.09416	0.9
255.14059	1.0
265.08679	3.6
266.09561	0.8
266.99884	0.7
267.13831	2.2
279.10034	0.8
279.17334	3.3
279.20471	1.0
279.23514	1.3
282.08780	1.5
282.16171	7.4
297.07730	1.7
297.11343	7.2
297.18539	100.0
298.18668	1.4
299.06241	1.6
304.57050	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1697
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	4.7
55.01859	12.6
55.05515	18.6
56.05027	14.7
57.03435	15.5
59.05004	4.4
61.01157	8.6
61.02926	10.4
62.45658	3.1
65.03934	8.2
67.05511	18.8
69.03431	33.4
69.07066	10.4
71.01365	4.4
71.04994	30.7
71.51865	6.0
72.08150	7.8
73.02910	11.0
79.05513	24.6
81.03427	16.0
81.07062	39.1
83.04971	14.5
84.08162	3.8
85.02917	20.9
85.06534	5.5
86.09721	3.4
87.04483	7.5
89.06004	4.1
91.05485	31.1
93.07052	36.5
95.04973	22.2
95.08617	26.1
97.02881	27.2
97.06520	5.0
98.97594	6.4
99.04450	7.8
99.08104	6.2
103.03954	5.2
103.05427	4.7
104.05309	19.6
105.07033	58.9
107.04939	11.5
107.08613	42.7
109.02851	3.7
109.06531	18.3
109.10169	14.9
111.04485	8.3
111.08086	8.7
113.05969	4.2
115.03905	7.2
115.05470	5.4
117.07057	18.3
119.04910	4.0
119.08593	43.6
120.08115	11.7
121.02882	100.0
121.03905	6.6
121.06558	17.2
121.07290	3.0
121.10149	35.6
123.04433	7.3
123.08060	14.6
123.11729	8.6
125.05925	5.0
125.09631	4.2
127.03880	5.8
128.06259	8.8
129.05490	5.0
129.07024	14.2
131.08591	32.7
133.06502	8.9
133.10138	24.2
135.04337	4.3
135.08101	17.8
135.11708	20.3
137.05974	8.5
137.09604	12.9
137.13258	4.5
138.09146	3.9
139.03918	9.4
141.05466	3.2
141.06979	3.2
143.08583	13.7
145.06491	8.5
145.10129	30.0
147.08080	20.6
147.11707	20.5
149.05981	4.1
149.09654	10.3
149.13277	4.9
149.73900	3.6
151.07468	5.0
151.11215	10.4
151.92358	3.0
153.82477	3.1
155.08540	4.2
157.06517	3.6
157.10159	5.8
158.07225	3.5
159.08006	8.1
159.11707	14.8
161.05991	3.5
161.09590	8.1
161.13286	7.4
163.07507	5.2
163.11142	23.1
165.06906	4.0
165.09105	5.2
165.12738	16.5
171.11684	6.3
173.09619	28.1
173.13290	7.1
175.07626	6.3
175.11188	7.3
177.12744	26.7
179.14204	4.4
183.11787	4.7
187.11130	7.3
189.09004	4.4
189.12711	12.4
191.10652	9.0
193.08501	5.4
194.07361	6.1
197.13252	5.3
201.12794	7.6
205.06534	5.0
205.12151	4.8
209.11649	3.8
215.14384	6.0
219.08200	4.5
219.13821	9.6
222.06833	3.4
224.98396	3.3
226.17981	3.9
233.13266	4.9
233.15350	6.6
237.09109	10.5
243.13884	10.3
251.07176	4.4
261.14877	24.8
265.08548	17.6
266.99768	3.5
279.13458	4.0
279.16006	23.4
282.08667	3.8
297.08279	4.9
297.11227	20.6
297.17120	35.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2271
Annotation	13-OxoODE
Peak:m/z	Relative Intensity
53.03941	12.7
55.01868	6.2
55.05516	50.9
57.07072	5.6
65.03950	5.5
67.05511	100.0
69.03422	4.9
69.07073	32.7
70.19899	2.8
70.95810	5.2
70.96141	4.7
71.05003	3.9
71.08639	33.0
79.05505	50.4
81.03427	20.8
81.07060	57.1
83.04989	11.2
83.08618	31.3
85.06535	4.1
91.05480	26.0
93.07053	45.1
95.04988	21.1
95.08617	30.0
97.06516	6.4
97.10178	41.8
99.08109	19.0
105.07058	25.3
107.04954	3.5
107.08604	40.4
109.06508	3.5
109.10157	30.5
111.08098	4.6
117.07027	10.3
119.08597	13.4
121.10154	20.3
122.03671	9.2
123.03979	4.7
123.08060	6.2
123.11699	5.7
124.97739	2.7
125.09646	30.7
129.07034	4.7
131.08556	6.5
133.10136	12.3
135.08069	4.6
135.11693	22.1
137.05995	86.4
137.09593	3.7
138.06332	61.0
142.13121	3.5
143.08572	6.2
145.10126	5.5
147.08028	3.4
147.11707	16.3
149.13304	8.6
151.11195	28.9
153.09103	3.6
157.10141	3.9
159.11700	4.7
161.13278	16.7
163.11185	9.9
163.14816	6.1
165.12805	5.8
171.10275	3.4
171.11684	4.3
173.11952	3.3
173.13321	6.2
175.14839	5.9
177.12695	3.4
179.14320	8.2
185.13329	5.5
189.11269	23.4
189.12793	4.0
231.21117	4.1
235.16969	3.7
241.19606	9.2
259.20660	12.6
277.21649	80.1
295.22736	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	295.2269
Annotation	13-OxoODE
Peak:m/z	Relative Intensity
50.66488	1.9
53.03939	4.3
55.01873	8.8
55.05513	51.1
57.03440	14.0
57.07077	27.4
58.07409	3.6
59.04972	2.6
60.08165	4.3
65.03947	3.4
67.05505	99.8
67.74419	1.9
69.03416	7.2
69.07069	58.6
70.07396	10.6
70.09177	3.5
70.09557	2.9
71.04974	11.7
71.07388	2.1
71.08634	5.4
79.05495	49.4
81.03432	9.9
81.07059	100.0
83.04980	21.4
83.08619	30.7
85.06549	5.1
85.10197	3.3
85.22067	2.0
86.09715	17.7
88.35909	2.0
91.05483	31.2
93.07048	45.9
95.04970	19.2
95.08616	47.6
97.06544	13.8
97.10165	20.6
98.98466	3.4
99.08078	5.5
101.06041	2.5
104.10738	2.2
105.07043	34.1
107.04983	2.6
107.08592	32.2
109.06546	11.4
109.10162	21.3
111.08089	12.1
113.05978	2.4
113.09697	2.6
115.07586	5.8
116.07943	2.6
117.07019	4.4
119.08577	23.2
121.10142	20.0
123.08084	16.0
123.11729	10.9
124.99985	10.8
125.09623	9.9
129.07030	4.8
130.01369	2.0
131.08565	8.4
133.10129	17.0
135.08102	5.4
135.11658	11.3
137.09631	6.7
137.13283	2.7
139.11198	7.8
141.01003	3.7
141.12648	2.3
143.08516	3.6
145.10130	7.1
147.11705	15.1
149.09650	3.1
149.13268	9.0
151.11218	5.9
153.09106	3.0
153.12807	3.4
155.10672	7.8
157.10120	2.3
159.11711	4.7
161.09662	2.1
161.13275	8.5
163.14775	3.8
165.12737	5.6
167.14229	2.2
171.11719	4.7
173.13289	2.3
175.11258	3.6
175.14827	6.1
179.10684	2.8
179.14365	7.2
184.07347	37.4
185.13226	2.5
189.11198	4.6
193.12294	5.3
197.07280	6.3
198.07593	13.1
199.07060	3.5
203.14499	2.5
207.13728	2.4
211.13345	3.6
241.19510	3.0
249.22266	2.9
259.20651	3.6
277.21616	39.0
295.10486	6.2
295.22629	33.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2273
Annotation	9-OxoODE
Peak:m/z	Relative Intensity
53.03936	8.1
55.01869	9.5
55.05277	3.9
55.05520	60.9
57.03426	12.5
57.07075	10.2
59.05029	3.6
67.05515	100.0
69.03419	10.7
69.07080	43.0
69.85706	12.0
71.04999	7.3
71.08624	11.2
71.57359	2.4
75.59571	2.5
79.05506	59.4
79.39880	2.8
81.03420	13.3
81.07068	92.6
83.04992	27.7
83.08645	21.0
85.02893	4.1
85.06539	3.2
85.10150	3.2
90.52960	2.7
91.05499	37.7
93.07058	68.3
95.04977	24.7
95.08622	57.9
97.06538	14.7
97.10168	28.7
99.08094	9.2
105.07040	28.3
107.04968	3.6
107.08606	37.5
109.06517	9.5
109.10171	33.7
111.08083	4.2
117.07024	7.2
119.08614	30.3
121.10155	21.4
123.08090	8.1
123.11687	7.9
125.09647	13.1
129.07031	6.9
131.08592	8.4
133.10165	18.0
135.08043	3.3
135.11722	19.9
137.09627	15.3
137.13249	3.1
139.11205	17.8
143.08578	6.9
145.10117	3.7
147.08025	4.3
147.11687	16.3
149.13266	13.1
151.11165	10.4
153.12776	6.6
157.10144	4.2
159.11685	5.8
161.13283	13.7
163.11238	5.2
163.14867	5.9
165.12769	8.5
171.11665	4.3
173.13281	3.3
175.14825	4.0
179.14293	7.0
185.13289	3.6
193.16011	4.3
207.13799	3.1
217.31375	2.8
221.15326	4.9
225.04213	4.2
249.22151	6.3
259.20657	10.6
277.21652	70.6
293.97784	2.9
295.19870	2.2
295.22708	59.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.227
Annotation	(11R)-Hydroxy-6(Z),9(Z),12(Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
53.03944	7.8
55.01878	57.0
55.05515	55.8
57.03438	4.4
57.07084	11.6
67.05509	80.1
69.03425	8.0
69.06728	3.2
69.07072	36.8
70.57104	7.2
71.04990	6.8
71.08640	35.4
79.05067	3.6
79.05499	47.1
81.03419	20.2
81.06590	4.3
81.07061	76.5
83.04979	20.3
83.08151	2.6
83.08624	35.6
85.06543	6.8
85.10192	10.6
85.19158	2.4
91.05482	44.5
93.07050	49.9
95.04981	23.9
95.08609	52.0
97.06532	25.0
97.10193	14.1
99.08106	27.4
99.82462	2.3
105.07038	33.8
107.04937	4.3
107.08605	29.7
109.06539	10.1
109.10163	17.7
111.04433	2.4
111.08093	39.8
113.09644	10.0
117.07026	7.0
117.12209	1.9
119.08595	21.7
121.06519	2.5
121.10161	26.6
123.08049	10.4
123.11712	8.4
124.75744	1.8
125.09660	11.0
129.06999	7.4
131.08574	8.1
133.10155	26.4
135.07990	3.6
135.11685	19.6
137.09610	8.7
137.13258	3.8
139.11174	8.9
143.08546	5.0
145.10147	7.9
147.08011	2.3
147.11700	29.3
149.09613	7.6
149.13271	15.7
151.11208	32.7
153.12727	4.5
157.10217	4.5
159.11710	5.0
161.13286	15.4
163.11142	12.5
163.14861	2.9
163.57866	1.9
165.12767	29.8
167.14291	2.8
171.10222	1.7
171.11658	6.7
173.13239	4.7
175.11220	4.2
175.14877	6.0
177.12715	2.8
179.14317	11.4
185.13297	5.5
189.11212	4.8
189.12785	2.7
193.12230	2.7
193.15909	3.9
207.11787	2.3
207.13759	3.3
217.19463	2.9
221.15398	4.0
231.21072	6.5
235.16969	2.4
241.19519	8.8
241.77016	1.9
249.22150	7.7
252.09540	2.8
259.20590	18.0
267.11673	7.0
277.21646	100.0
294.31311	2.0
295.11163	5.7
295.17334	2.2
295.22714	55.9
295.37393	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2269
Annotation	9-OxoODE
Peak:m/z	Relative Intensity
53.03943	7.4
55.01875	77.6
55.05513	44.7
57.03439	5.8
57.07076	11.2
67.05511	45.9
69.03425	6.5
69.07078	25.0
69.38333	22.2
71.04993	5.9
71.08628	18.4
77.22517	3.1
79.05495	34.3
81.03421	9.7
81.07063	55.9
83.04987	17.7
83.08623	25.0
85.02919	4.0
85.06539	6.2
85.10191	12.9
85.32912	3.0
91.05486	28.6
93.07051	40.9
95.04955	14.4
95.08616	36.0
97.06530	23.9
97.10167	6.4
99.08089	16.2
105.07029	26.1
107.04924	2.8
107.08592	20.7
108.27538	3.1
109.06504	10.0
109.10142	13.8
111.08086	84.1
113.09643	14.2
117.07024	5.8
119.08624	16.3
119.09366	3.3
121.10150	12.7
123.08049	6.7
123.11747	6.8
125.09655	6.9
129.07022	4.2
131.08588	3.4
133.10124	32.6
135.11708	10.9
139.11198	8.3
145.10097	7.1
147.11707	22.4
149.09613	12.4
149.13258	12.3
151.11188	23.3
153.12749	5.5
157.10168	4.1
161.13278	9.1
163.11221	10.0
165.12776	31.2
171.11732	8.0
175.11244	5.4
175.14934	4.5
179.14349	14.5
185.13269	5.1
231.21152	4.1
241.19487	4.6
249.22375	6.9
259.20618	13.6
277.21634	100.0
288.93573	3.1
295.22653	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	295.227
Annotation	(11R)-Hydroxy-6(Z),9(Z),12(Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
55.01876	6.5
55.05513	39.3
55.40198	4.9
57.07078	10.3
67.05508	69.7
68.08124	3.9
69.07078	24.7
70.23220	16.1
71.08627	41.6
77.50201	4.4
79.05496	56.4
81.03408	6.8
81.07059	63.7
83.04976	16.2
83.08609	15.8
85.44515	3.6
86.33525	4.4
89.88062	4.0
91.05496	31.5
93.06485	6.4
93.07047	85.7
95.04966	8.8
95.08613	52.5
97.06516	9.3
97.10181	24.1
99.08107	33.4
105.07027	13.8
107.04939	6.8
107.08609	54.4
109.10163	55.2
111.08089	5.9
119.08600	15.4
121.10149	38.7
123.11691	5.0
125.09634	15.2
131.08617	4.9
132.21748	3.8
133.10133	15.2
135.11690	42.2
137.09717	4.4
141.09154	5.5
145.10126	5.2
147.11676	9.0
149.13275	17.1
151.11197	14.6
161.13280	10.4
167.10771	5.3
174.42117	4.5
179.14323	100.0
189.11272	8.7
235.16902	5.9
259.20575	10.7
277.21622	58.4
290.13965	4.6
307.50964	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	295.2269
Annotation	(11R)-Hydroxy-6(Z),9(Z),12(Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
50.76160	2.1
53.03950	21.5
55.01854	10.1
55.02090	2.2
55.05275	2.4
55.05520	35.3
57.07064	5.7
62.17629	2.5
67.05508	67.5
69.06734	3.6
69.07074	49.9
69.25296	4.3
69.25705	16.4
71.08636	3.6
79.05495	45.9
81.03423	91.3
81.07059	67.7
83.04992	19.7
83.08618	8.3
85.06538	2.7
85.10194	4.8
91.05483	23.2
93.07048	46.2
95.04968	45.5
95.08614	25.8
97.06519	4.9
97.10152	7.2
99.08061	5.8
105.07037	23.9
107.08590	31.4
109.06538	12.8
109.10173	20.4
111.08083	3.6
117.07002	5.0
119.08582	18.8
121.10129	10.9
123.08105	2.3
123.11698	7.1
125.09579	11.0
131.08580	5.6
133.10149	18.4
135.08057	7.6
135.11678	14.1
137.13248	2.5
143.08597	2.3
145.10117	3.2
147.11710	14.4
149.13231	8.7
151.11185	59.2
153.09103	5.4
157.10097	5.0
159.11659	4.0
161.13255	15.4
163.14789	6.2
165.12724	13.2
171.10172	4.6
171.11699	5.8
175.11118	2.7
175.14854	5.4
177.12666	3.2
179.14336	7.2
189.12755	4.4
193.12321	3.0
207.13786	4.2
217.19440	3.0
228.26024	2.6
231.21036	13.9
241.19495	10.8
249.22090	7.9
259.20486	9.2
277.21646	100.0
295.22702	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	295.2269
Annotation	(11R)-Hydroxy-6(Z),9(Z),12(Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
53.03937	5.9
55.01863	10.5
55.05270	4.0
55.05514	48.0
57.03429	5.5
57.07087	12.7
59.04997	3.0
67.05507	100.0
69.03432	9.5
69.07070	37.7
70.11151	10.9
71.04983	8.4
71.08627	10.9
71.36362	2.7
79.05494	50.0
80.05793	2.6
81.03402	10.0
81.06595	5.4
81.07058	88.8
83.04983	25.4
83.08619	30.5
85.02879	3.3
85.06529	8.9
91.05482	32.5
93.07047	69.6
95.04955	21.6
95.08609	65.6
97.06553	15.3
97.10170	24.8
99.08067	10.4
100.53141	2.6
101.06043	2.8
105.07047	32.6
107.08598	40.5
109.06514	15.8
109.10159	33.5
111.08090	10.0
111.11697	2.6
117.07030	8.5
119.08591	24.4
121.06567	3.9
121.10117	23.4
121.10793	2.3
123.08063	9.1
123.11712	9.9
125.09621	15.6
129.06967	6.2
131.08563	9.6
133.10150	23.8
135.08072	4.1
135.11720	17.2
137.09612	10.6
137.13234	4.1
139.11177	21.1
143.08557	5.6
145.10092	7.9
147.11743	13.9
149.09616	3.7
149.13248	12.2
151.07568	9.9
151.11201	10.9
153.12791	5.1
157.10141	10.5
161.09668	3.8
161.13286	11.8
163.11147	4.3
163.14752	4.6
165.09001	2.9
165.12747	11.0
167.10716	3.0
171.11699	5.1
175.11212	4.6
175.14847	8.1
179.14311	7.1
185.13353	3.1
189.11163	6.9
189.12704	3.3
193.12239	3.9
199.14798	2.8
221.11717	7.2
221.15443	4.5
231.21072	4.8
241.19479	6.0
245.73859	2.9
249.22148	5.6
259.20630	9.5
277.21622	70.0
280.14536	5.2
295.17233	13.7
295.19690	4.7
295.22641	66.5
296.22247	5.8
312.02951	2.7
318.07449	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	295.2271
Annotation	9-OxoODE
Peak:m/z	Relative Intensity
53.03936	5.5
55.01868	7.1
55.05270	2.5
55.05517	32.0
57.03428	6.2
57.07079	15.9
59.04986	2.3
67.05508	43.2
69.03433	5.8
69.07071	24.8
70.82529	4.1
70.82864	2.4
71.04977	5.3
71.08632	5.3
73.02907	2.9
74.53019	1.7
79.05502	30.4
79.71535	1.8
81.03420	20.7
81.07063	42.5
82.07391	2.1
83.04990	13.6
83.08627	15.8
85.02917	12.5
85.06535	3.6
85.10197	17.3
86.09711	3.6
86.90853	1.6
88.11366	2.2
91.05498	17.9
93.07056	29.4
95.04979	21.2
95.08622	30.4
97.02899	9.7
97.06525	7.9
97.10139	10.1
99.04467	3.5
99.08102	5.8
101.02384	5.6
105.07044	26.9
107.04975	2.3
107.08610	21.6
108.32405	1.7
109.06526	7.4
109.10183	18.4
111.04456	2.2
111.08077	5.4
113.09657	14.8
117.07040	1.8
119.08604	14.3
121.06487	2.8
121.10139	13.4
123.08112	9.1
123.11680	2.1
125.00006	2.2
125.09631	6.6
129.06990	2.1
131.08640	2.8
133.06511	100.0
133.07564	5.6
133.10152	11.1
135.08040	2.9
135.11685	10.7
137.06039	1.8
137.09619	7.6
139.11177	7.1
143.08598	3.0
145.10167	5.2
147.11681	10.8
149.09636	5.4
149.13232	4.3
151.07555	4.9
151.11197	10.7
153.12761	3.8
157.10161	4.3
161.09668	2.1
161.13298	5.5
163.11224	4.5
165.12796	27.3
175.11235	7.1
177.12804	2.0
179.14348	5.0
184.07358	5.2
185.13266	4.0
189.11316	2.3
193.12233	5.2
207.13808	2.9
221.11732	13.3
221.15430	1.8
231.21086	2.3
239.12866	2.6
242.06668	2.1
249.22134	4.7
259.20596	5.7
277.21661	62.7
288.71130	1.7
295.19824	3.1
295.22708	89.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1905
Annotation	Nordihydrocapsiate
Peak:m/z	Relative Intensity
55.01878	6.5
55.05513	5.1
57.07078	3.3
60.43000	1.4
67.05514	7.7
69.07073	7.2
70.68782	4.0
71.08630	2.7
79.05498	10.3
81.07060	34.1
83.04985	3.9
83.08624	3.7
85.02892	2.4
91.05492	5.3
93.07057	7.7
95.04958	2.8
95.08615	7.9
97.06562	3.7
105.07054	5.6
107.08620	4.4
109.06529	12.5
109.10188	2.2
111.04443	11.0
119.08607	5.6
121.10148	5.9
123.08075	2.1
123.11725	2.8
125.05998	3.2
129.78442	1.6
131.08543	2.1
133.10123	4.0
135.08064	2.8
135.11713	4.3
137.05986	100.0
143.08528	2.8
145.10150	2.6
147.11671	4.7
149.09663	3.3
149.13300	3.1
151.07571	2.9
151.11240	2.3
157.10194	2.3
161.09648	4.9
161.13190	2.5
163.11128	2.3
167.08661	1.6
171.11684	2.1
175.11226	4.4
188.69206	1.6
200.99352	1.8
203.18030	4.5
213.16466	3.2
218.02908	1.7
221.11868	2.2
231.17494	7.0
249.18510	12.0
277.18091	34.4
277.21442	5.6
295.19217	4.1
295.22632	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	294.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.3
55.01863	0.3
55.02891	0.3
55.05492	0.3
57.07073	1.1
66.04736	0.4
67.05499	0.7
69.07090	0.3
71.08636	1.2
71.13117	0.4
79.05503	1.2
81.07059	1.7
83.08643	0.3
91.05476	0.7
93.07068	0.8
94.04197	2.6
95.04942	0.3
95.08601	0.4
96.08971	0.3
107.08620	0.6
109.06531	0.6
109.10142	0.3
115.50038	0.3
122.03661	8.5
123.11765	0.4
137.05992	100.0
138.06325	0.7
141.12756	2.8
142.19783	0.3
148.20677	0.3
158.15443	1.1
170.15421	0.4
174.13498	0.2
208.20834	0.2
276.20435	0.4
277.21698	0.4
294.21155	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.2067
Annotation	DESMETHYLDIHYDROCAPSAICIN
Peak:m/z	Relative Intensity
50.94313	0.2
53.35715	0.2
54.44673	0.2
55.01859	0.2
55.05513	0.4
57.07067	0.6
57.28512	0.2
58.02951	0.3
66.04714	0.3
66.12288	0.2
67.05501	1.0
69.07053	0.3
69.97050	1.1
71.08639	0.4
79.05487	1.2
81.07072	2.0
86.14911	0.2
88.65452	0.2
91.05490	1.1
92.05806	0.3
94.04185	2.5
105.07028	0.3
106.07388	0.3
107.08610	0.3
109.06541	0.5
109.28584	0.2
114.15751	0.2
121.10165	0.4
122.03658	7.7
122.04491	0.5
123.11695	1.6
137.05986	100.0
138.06317	0.5
139.11188	0.4
150.10106	0.3
158.15472	1.1
170.15433	2.1
204.07420	0.6
221.08093	0.9
222.08452	2.6
238.11644	0.4
256.61768	0.3
276.13300	0.4
276.20407	0.7
294.14304	0.5
294.20944	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1149
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61342	0.3
57.04549	0.9
69.03415	0.8
70.05085	1.1
70.06596	0.3
71.04997	0.4
72.08146	0.6
73.02931	0.3
81.03440	0.3
84.04529	0.3
84.08121	0.3
85.02896	0.7
86.09712	0.5
87.04480	0.4
91.05470	0.7
93.07050	0.3
94.04062	3.4
96.05623	0.6
97.02878	0.4
108.04411	0.3
119.03619	0.5
120.08091	0.8
121.05092	0.4
121.10098	0.3
123.06677	2.0
123.41216	0.3
127.03952	0.4
129.10139	0.3
133.05055	0.7
136.07574	0.9
147.04453	0.3
148.06184	0.4
150.07755	100.0
151.08083	0.4
162.09181	0.4
175.88277	0.2
249.03358	0.5
295.11713	2.1
295.16367	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1694
Annotation	MF-EA 705alpha
Peak:m/z	Relative Intensity
50.74333	0.8
53.03940	1.9
55.01859	2.6
55.05502	3.7
56.00318	1.0
57.03432	1.6
57.07076	1.0
59.04992	1.6
64.34132	0.9
65.03923	1.2
67.05509	11.5
69.03419	3.5
69.07079	6.1
71.04975	1.3
73.02925	2.0
79.05494	10.4
81.03400	1.5
81.07063	15.8
83.04983	1.6
83.08635	2.2
85.02907	1.8
85.06558	1.3
91.05491	17.0
93.07050	12.3
95.04970	5.7
95.08614	9.3
97.02882	1.7
97.06520	3.1
97.10184	1.5
99.04510	1.0
103.05452	2.6
104.77444	0.9
105.03400	3.3
105.07047	16.2
107.04955	4.0
107.08593	7.9
109.06515	3.4
109.10173	4.1
111.08112	4.2
111.11721	2.1
113.06006	2.1
115.05428	5.4
116.06219	1.0
117.07020	12.5
119.04955	1.3
119.08590	7.5
120.08121	0.9
121.06496	2.3
121.10141	2.6
123.08072	1.9
123.11699	2.5
125.05987	3.8
125.09641	2.0
127.03883	1.2
128.06239	5.3
129.07013	12.6
130.07779	0.9
131.04898	1.0
131.08574	21.2
133.10132	3.8
135.08089	2.1
135.11694	1.8
137.09622	1.6
139.07500	4.6
139.11156	1.0
141.06987	5.0
141.09108	1.4
142.07799	5.7
143.08572	11.4
144.09348	1.0
145.06508	1.5
145.10168	6.4
146.07097	1.0
147.08025	1.6
147.11707	1.8
149.09634	1.8
149.13290	1.4
153.07019	3.1
154.07758	2.1
155.08569	11.6
156.09392	1.6
157.10144	8.0
158.02144	0.8
159.08000	1.9
159.11705	2.3
161.13332	1.7
163.07574	1.2
163.11150	1.4
165.06963	5.9
165.09198	0.9
166.07776	3.1
167.08563	8.6
168.09355	1.6
169.10159	7.1
170.10863	1.3
171.11708	9.3
173.09647	1.7
175.11256	1.0
177.09113	1.1
178.07780	5.9
179.08549	15.8
180.09317	3.6
181.10144	26.5
182.10928	1.8
183.11743	6.3
185.13280	1.1
189.07033	1.5
189.08913	0.9
189.12791	1.0
191.08572	4.0
191.10571	1.1
192.09358	9.0
193.10141	19.2
193.11839	1.3
194.10997	5.9
195.08038	1.0
195.11710	15.2
196.12480	10.6
197.13303	1.0
202.07774	1.3
203.08664	2.1
203.10599	1.7
204.09341	3.1
205.10184	11.7
206.10954	6.6
207.08194	1.4
207.10268	1.2
207.11720	26.5
208.12514	1.3
209.09921	1.0
209.13266	19.4
218.10864	1.8
219.11708	17.0
219.13777	1.0
220.09004	1.1
220.12459	9.2
221.09749	4.4
221.13252	7.9
223.07648	0.9
223.14832	2.8
225.12634	2.0
229.10136	2.2
231.07892	1.4
233.13266	1.8
234.14064	8.1
235.07593	1.8
235.11272	8.1
235.14845	35.5
244.12553	2.9
247.11397	1.7
249.09096	1.9
249.12473	2.2
249.16443	47.3
253.12225	5.6
259.14783	3.8
262.13602	2.6
265.12256	6.9
267.10046	0.9
267.13788	1.1
267.17355	1.4
277.15952	27.1
277.21619	0.9
280.14551	9.2
295.10062	5.2
295.16956	100.0
296.17126	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2477
Annotation	Methyl alpha-Eleostearate
Peak:m/z	Relative Intensity
52.40714	1.8
55.05519	11.2
57.07074	6.7
67.05509	82.8
68.99752	1.8
69.07066	11.1
71.01665	3.5
79.05488	13.6
81.07066	100.0
83.08620	4.5
91.05482	8.3
93.07045	11.8
95.04962	3.2
95.08612	62.4
97.10197	4.5
105.07024	6.0
107.08585	12.0
109.06525	2.9
109.10166	33.7
111.04449	3.7
111.08069	2.5
119.08598	4.3
121.06489	2.2
121.10179	7.7
123.08086	2.4
123.11716	19.9
127.27675	1.9
131.08574	5.4
133.10143	4.3
135.11693	5.5
137.13229	10.3
145.10167	4.2
147.11682	3.4
149.09718	2.8
149.13190	3.4
151.14865	2.9
159.11719	3.8
163.11118	2.4
163.14923	2.2
173.13213	4.1
181.04961	3.9
187.14825	2.9
194.51370	1.8
209.11792	6.6
233.11838	2.2
237.11194	10.2
243.21126	3.0
261.22180	5.6
275.20001	3.0
293.21719	3.7
293.24887	23.0
296.68234	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2114
Annotation	9-OxoOTrE
Peak:m/z	Relative Intensity
53.03942	11.1
55.01635	5.8
55.01876	77.3
55.05515	66.3
56.23341	3.9
57.03443	6.5
57.07085	19.2
59.70118	3.6
63.79616	3.1
67.05511	56.8
69.03423	5.8
69.07064	28.2
71.04974	5.7
71.08614	5.9
71.16431	9.1
79.05498	56.5
81.03431	23.1
81.07065	76.6
83.05000	21.0
83.08618	26.8
85.02930	4.5
85.06560	6.3
91.05467	40.1
92.96187	3.6
93.07056	48.8
93.54757	3.5
95.04976	66.8
95.08618	46.4
97.02837	3.5
97.06508	10.1
97.10175	19.2
99.08062	6.0
105.07043	32.5
107.04962	35.2
107.08598	30.9
109.02872	3.1
109.06536	20.7
109.10162	17.9
111.04449	19.7
111.08098	6.6
117.07013	13.4
119.08579	23.8
121.06505	12.9
121.10175	17.3
123.08087	23.0
123.11699	6.6
125.05984	6.1
125.09639	100.0
131.08563	22.0
133.06468	3.3
133.10121	18.0
135.08083	20.3
135.11684	11.2
137.09644	29.8
139.07623	3.6
142.41675	3.3
144.53870	3.6
145.10127	12.6
147.11742	4.8
149.09634	21.7
149.13275	6.2
151.11169	25.8
153.05484	4.6
153.12692	4.5
157.10095	4.8
159.11679	10.8
161.09576	5.2
161.13257	4.5
163.11211	21.6
165.12811	5.6
167.10631	7.9
175.11227	4.2
177.12738	21.3
179.05040	3.5
181.12277	8.4
187.11301	5.9
189.12767	4.0
191.10687	8.7
191.14258	8.9
193.12134	6.1
195.13768	3.6
209.11723	23.5
229.19493	7.5
237.11261	17.7
247.20615	9.9
257.19061	18.5
275.20090	62.1
293.17862	5.1
293.21130	81.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2111
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03935	8.6
55.01866	10.9
55.05519	28.2
57.03422	3.0
58.19031	2.0
59.41276	1.9
65.03947	2.1
67.05180	3.4
67.05512	44.8
69.07076	18.1
70.67934	6.6
71.05014	4.0
79.05068	4.0
79.05497	44.2
81.03412	9.3
81.07059	71.3
83.04974	6.0
83.08632	17.3
85.06566	3.2
91.05486	27.7
93.07052	32.7
95.04974	14.8
95.08617	27.3
97.06548	13.4
97.10177	7.8
102.59022	2.1
105.07039	35.2
107.04963	9.9
107.08607	31.5
109.06543	14.7
109.10184	13.3
111.08084	3.4
117.07062	11.1
119.08583	26.4
121.06496	6.1
121.10159	16.6
123.08065	9.8
123.11704	5.4
125.09632	8.7
129.07024	4.1
131.08589	15.8
133.10136	21.2
135.08026	6.2
135.11696	7.5
137.09618	7.2
145.10107	15.1
147.11717	16.6
149.09622	17.9
149.13278	4.5
151.11211	11.3
157.10156	4.2
159.11723	6.8
161.13197	3.8
163.11243	10.0
165.09151	5.4
169.10124	2.2
171.11635	3.5
173.13268	4.6
175.11243	3.0
177.12749	4.1
179.14326	2.1
183.11746	3.6
187.11223	5.2
189.11246	2.9
189.12799	2.3
215.14319	2.6
215.17856	2.3
229.19438	5.6
239.18019	7.2
247.20604	8.0
257.19070	14.4
275.20087	100.0
293.21124	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	293.2112
Annotation	9-OxoOTrE
Peak:m/z	Relative Intensity
50.00633	2.0
51.33644	1.8
52.84022	1.9
53.03934	8.0
53.90187	1.8
55.01876	9.6
55.05516	63.9
57.03437	1.8
57.07083	2.5
61.58585	1.9
62.71706	1.7
64.58878	1.8
64.96051	1.8
67.05508	35.9
69.03419	4.8
69.07080	10.7
69.74497	7.5
71.04980	5.2
79.05499	86.0
79.21801	2.0
81.07067	31.8
83.04968	12.2
83.08625	21.1
85.06553	2.4
87.23427	2.0
91.05489	29.3
93.07052	40.7
95.04968	8.6
95.08613	13.4
97.10181	32.0
105.06405	2.6
105.07046	28.0
107.04967	45.5
107.08602	66.4
109.06513	3.1
109.10160	17.6
111.08110	3.5
117.07024	11.1
119.08596	18.9
121.06558	2.4
121.10143	18.0
123.08105	3.3
123.11726	8.2
125.09639	32.3
129.07021	2.3
131.08594	8.8
133.10150	20.0
135.08061	7.1
135.11705	4.9
143.08807	1.8
145.10141	8.8
147.11732	13.4
149.09633	100.0
153.09114	8.7
159.11726	6.0
161.13242	5.9
163.11215	3.0
167.10710	3.4
169.10187	2.2
169.12280	3.3
171.10190	8.9
171.11607	2.9
173.11786	5.2
173.13319	5.1
183.11676	3.6
187.11154	2.7
187.13297	4.3
189.11252	21.9
189.12823	3.4
215.17949	3.7
229.19554	8.8
239.17946	4.7
247.20615	4.1
257.18973	24.0
275.20081	92.2
293.21237	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	293.2115
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
52.46589	1.7
53.03950	7.7
55.01871	8.5
55.05309	1.7
55.05524	20.1
57.03440	4.6
57.07079	1.9
58.76751	1.7
59.26910	1.8
65.03945	1.9
65.67941	1.7
67.05511	34.6
69.07082	19.9
69.85655	10.2
71.04990	4.9
74.47291	1.6
79.05505	39.7
81.03429	8.8
81.07066	100.0
83.04996	5.0
83.08645	17.1
85.06567	2.5
91.05492	24.9
93.07057	24.1
95.04973	17.1
95.08625	24.5
97.06557	9.1
97.10170	5.4
105.07043	26.4
107.04996	11.8
107.08609	17.1
109.06534	40.2
109.10203	10.9
111.04435	2.7
111.08127	4.7
117.07024	7.9
119.08601	19.1
121.06519	6.6
121.10146	12.9
123.08107	10.8
123.11765	4.8
125.09634	5.0
129.07014	3.8
131.08577	11.2
133.10132	15.3
135.08083	4.2
135.11674	5.6
137.09621	5.4
145.10161	10.8
147.11691	17.2
149.09586	11.7
149.13269	6.7
151.11180	6.3
159.11729	6.2
161.13257	3.1
163.11208	10.3
165.12738	4.0
171.11748	4.3
173.09624	5.5
173.13290	2.4
175.11269	3.0
177.12776	1.9
187.11281	3.2
191.10710	2.4
193.12213	2.3
232.06889	1.9
247.20522	5.0
257.18997	8.6
275.20099	54.9
293.21088	40.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2114
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03952	8.1
54.80945	2.6
55.01876	14.7
55.05516	74.7
57.03444	7.7
57.07072	4.3
64.11147	2.6
65.03931	4.1
67.05512	72.3
68.57344	2.0
69.03436	7.5
69.07075	37.2
69.91708	2.4
70.23224	9.1
71.04995	8.0
79.05502	76.7
79.05972	3.9
81.03425	10.2
81.07064	55.3
83.04990	13.6
83.08630	33.6
85.06535	3.7
91.05492	52.2
93.07049	48.3
95.04977	33.7
95.08617	50.5
97.06541	12.7
97.10175	28.1
97.68683	2.3
105.07041	52.0
107.04965	12.3
107.08609	100.0
109.06520	10.7
109.10155	25.8
111.08112	6.5
117.07038	15.1
119.06094	2.7
119.08588	35.2
121.06553	8.6
121.10153	31.0
123.08076	6.5
123.11729	5.8
125.09653	23.0
129.07011	5.9
131.08583	21.4
133.10149	30.0
135.08075	8.1
135.11697	11.4
137.09645	25.2
139.11220	9.0
145.10132	21.2
147.08034	3.0
147.11719	19.1
149.09651	26.4
149.13252	4.1
150.01167	2.1
151.11185	4.4
155.05177	2.2
157.10146	5.5
159.11732	15.5
161.13289	7.0
163.11218	15.1
169.10172	2.4
171.10242	2.2
173.13298	7.2
173.34232	3.4
175.11218	3.6
177.12767	5.4
181.12209	3.7
183.11765	4.0
185.13213	2.6
187.11247	2.8
187.14897	3.1
189.11264	15.5
191.14386	2.6
193.12291	2.8
203.12822	6.5
223.13350	5.8
229.19519	4.8
237.11249	5.0
237.14948	2.5
239.17958	8.5
247.20651	3.6
257.19046	12.1
275.20084	95.1
293.21115	54.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2112
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03952	6.1
55.01870	12.4
55.05517	30.7
65.03959	2.2
67.05514	25.3
69.07072	16.6
71.07986	5.2
78.09823	2.0
79.05497	46.3
81.03405	5.4
81.07056	28.4
83.04967	4.7
83.08627	15.5
91.05493	31.9
93.07053	27.0
95.04958	5.0
95.08629	14.8
95.70502	2.2
97.06533	12.7
97.10180	21.7
105.07043	36.8
106.44478	2.6
107.04964	10.1
107.07880	5.0
107.08604	100.0
109.06519	6.2
109.10181	7.0
111.08109	2.6
117.07000	3.8
119.08589	14.1
121.06546	2.3
121.10154	9.5
123.11660	3.8
125.09632	20.9
131.08565	11.8
133.10147	18.7
135.08069	4.8
135.11746	5.2
143.08629	3.0
145.10130	14.5
147.11719	13.1
149.09618	20.9
149.13184	2.5
157.10135	3.6
159.11731	6.6
161.13274	3.4
163.11151	3.3
165.09128	3.8
166.97620	2.2
171.10147	2.5
171.11667	4.7
175.11157	2.3
177.12767	2.5
189.11224	13.7
229.19525	3.7
247.20648	3.5
257.19012	12.2
275.20093	84.1
293.21155	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	293.2114
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
52.77782	2.8
54.31407	2.9
55.01876	8.8
55.05522	24.7
56.04625	2.7
57.03438	17.1
57.07081	8.0
67.05512	35.5
69.07069	12.6
71.04984	7.6
71.51101	3.4
79.05504	51.6
81.03441	4.5
81.07072	55.8
83.04978	5.6
83.08626	17.4
85.06543	9.5
87.26376	2.8
88.07639	2.6
89.07944	3.1
91.05495	56.6
93.07049	58.8
95.04977	9.1
95.08617	33.4
97.06513	8.2
97.10179	13.7
105.07047	51.3
107.04974	6.7
107.08604	73.8
109.06516	16.0
109.10176	14.4
111.08096	4.0
117.07022	12.0
119.08595	42.1
121.06536	2.8
121.10166	22.4
123.08078	9.1
123.11732	7.5
125.09623	11.7
129.07022	9.4
130.15146	3.5
131.04909	6.3
131.08618	26.1
133.10150	28.3
135.08084	3.7
135.11707	9.7
137.09660	7.0
143.08545	8.6
145.10126	25.0
147.07996	4.5
147.11697	24.6
149.09647	21.0
157.10162	8.3
159.11687	20.5
161.09631	5.2
161.13292	8.8
163.11186	9.9
169.10135	4.0
171.11731	3.5
173.13278	9.7
175.14951	5.5
183.11761	5.9
185.13307	18.9
189.11292	7.1
189.12730	3.8
201.16399	4.6
203.14330	13.1
205.15956	12.4
219.17456	30.6
221.15453	18.1
229.19447	4.1
239.18011	11.9
257.19113	22.1
275.20117	100.0
293.21198	30.5
293.27808	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	293.2115
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
51.61969	3.1
53.00525	3.0
53.03940	7.2
55.01866	16.1
55.05522	33.2
55.07427	4.0
57.03428	3.3
57.07084	7.3
65.03930	4.0
67.05512	51.7
67.33408	3.7
69.03411	8.1
69.07079	38.2
71.04987	10.4
71.08637	8.9
71.51456	6.0
79.05502	61.5
81.03439	18.6
81.07072	49.9
83.04972	14.3
83.08627	21.6
84.08138	3.7
85.06561	8.9
91.05486	42.6
93.07047	47.4
95.04991	21.8
95.08624	39.6
97.06548	18.7
97.10183	23.9
99.04474	4.5
99.08106	8.7
103.05471	6.0
105.06406	4.5
105.07047	43.5
107.04966	12.8
107.08607	84.6
109.06536	9.1
109.10173	20.7
111.08086	6.8
111.23820	3.3
117.07014	13.2
119.08591	27.3
121.06529	7.2
121.10187	21.5
123.08067	11.7
123.11734	8.9
125.09618	17.7
129.07057	4.3
131.04921	13.6
131.08554	17.0
133.10124	23.0
135.08055	8.2
135.11700	10.7
137.05968	6.0
137.09604	8.5
143.08565	5.9
145.10150	18.5
147.11732	17.0
149.09625	24.5
149.13297	7.6
151.11214	38.3
157.10052	4.2
159.11723	14.8
161.09685	7.1
161.13248	5.6
163.11186	8.7
165.09155	4.7
165.12766	4.0
171.11652	4.5
173.13335	5.5
175.14578	4.1
177.12730	6.3
181.12390	3.8
183.11696	3.5
187.11270	4.9
187.14954	4.2
189.11218	9.9
197.13243	5.3
201.12766	4.3
219.13936	3.5
221.10199	3.4
223.13217	4.2
239.18022	5.9
247.20511	5.8
257.18985	13.8
275.20114	100.0
293.21185	64.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2112
Annotation	Colnelenic acid
Peak:m/z	Relative Intensity
54.42675	3.0
55.01871	11.0
55.05517	62.2
55.26817	3.5
57.03438	5.0
57.07063	3.9
58.88687	3.0
65.03946	3.2
67.05511	74.5
69.03416	6.6
69.07075	37.8
70.63986	9.8
71.04986	15.5
78.04797	3.3
79.05077	5.5
79.05503	100.0
81.03447	7.3
81.07063	58.9
83.04984	11.3
83.08626	34.4
85.06543	6.4
86.48071	3.6
91.05490	59.0
93.07056	72.4
95.04967	32.7
95.08622	49.6
97.06533	15.2
97.10188	31.9
98.97583	3.0
103.05474	3.6
104.57929	3.9
105.07042	46.1
107.04974	10.6
107.08605	90.7
109.06507	15.1
109.10178	26.6
111.08056	7.9
117.07030	14.4
119.08590	39.0
121.06507	8.3
121.10156	32.1
123.08048	8.3
123.11706	9.2
125.09650	28.2
129.06970	4.7
131.08549	17.1
133.06511	3.5
133.10167	34.5
135.08038	8.0
135.11713	10.6
137.09644	30.6
137.97037	3.3
139.11151	13.3
139.12112	3.2
145.10143	19.2
147.11703	17.4
149.09645	19.9
149.13268	7.1
151.11226	6.4
155.10645	4.9
157.10078	3.3
159.11708	13.7
161.13269	9.9
163.11194	11.6
173.13263	9.3
189.11217	14.6
215.08577	4.5
223.13300	7.1
225.49092	3.4
237.14850	4.9
239.17982	6.0
257.00995	3.6
257.18958	10.0
268.37973	3.2
275.20071	78.0
275.22797	6.5
288.07227	3.7
293.21100	46.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1235
Annotation	Itoside L
Peak:m/z	Relative Intensity
52.07020	2.0
53.03952	2.9
55.01878	3.2
55.05515	3.5
56.96560	4.5
57.03439	8.8
57.07079	13.1
59.05036	4.2
61.02946	9.3
67.05513	23.9
69.03435	17.9
69.07075	4.8
70.06590	2.7
71.01358	3.5
71.04993	7.6
71.50523	3.0
72.08157	6.9
73.02925	6.7
79.05496	3.3
81.03432	12.6
81.07080	3.0
83.04988	4.0
83.06103	3.1
84.04526	6.0
84.08163	2.6
85.02913	97.1
85.06548	10.8
87.04457	4.0
91.03954	3.7
91.05472	4.8
93.07088	4.2
94.47395	2.4
95.04983	27.6
97.02908	18.9
98.97605	4.6
99.04457	5.5
101.06037	2.5
105.07053	4.5
107.04955	2.5
107.08610	2.6
109.02885	7.9
109.06535	2.2
110.97523	2.8
111.04449	3.2
113.06014	60.0
115.04027	2.3
116.98646	2.5
119.04944	2.4
120.08128	6.0
121.10089	1.9
123.04432	3.7
124.07597	3.7
127.03941	21.6
129.01794	2.3
129.05496	3.2
130.06522	2.3
131.04971	3.1
131.07054	100.0
133.01407	2.1
136.07660	2.9
139.03932	2.3
145.04970	18.0
145.06526	3.7
147.04437	7.8
152.60965	1.9
154.08609	2.7
161.05960	2.4
161.07149	3.7
163.03954	6.6
175.02365	9.6
181.03618	2.5
187.07568	2.0
227.17236	2.3
231.11215	2.5
247.10880	2.8
257.09164	2.2
257.12769	2.2
275.10284	3.6
275.13879	5.4
293.06799	3.1
293.11255	13.0
293.15250	11.8
294.13647	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	292.0991
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.7
55.01875	2.8
55.05509	2.8
56.05040	2.4
56.96568	31.2
57.03451	7.1
57.07079	1.4
59.05006	2.6
60.95871	1.4
61.02932	7.7
61.90509	1.4
67.05481	3.5
69.03436	17.6
69.07070	3.8
70.06596	3.5
71.01359	4.3
71.04980	2.9
71.50873	2.2
72.08167	16.1
73.02921	5.3
73.06557	3.0
77.00809	1.6
81.03445	7.9
83.04988	3.4
84.04509	5.6
84.08159	6.8
84.96024	6.3
85.02909	36.6
85.06551	2.1
86.03263	2.1
87.04463	5.9
91.03953	2.1
91.05454	2.1
91.66515	1.5
97.02898	16.8
97.96844	1.4
98.97590	100.0
99.04464	4.2
99.97934	9.3
100.07566	1.5
101.00860	1.7
109.02894	3.0
110.97577	12.9
111.04447	1.6
112.07584	7.6
112.11227	1.9
112.99166	2.6
113.05991	1.9
116.98626	30.6
119.01819	2.6
119.04942	5.0
123.04403	2.2
124.99097	1.9
127.00665	2.2
127.03919	7.2
128.02254	1.7
128.98621	11.9
129.01901	3.3
129.98972	2.1
130.08653	45.4
130.09628	3.3
131.00198	3.4
131.03577	1.4
132.95837	2.1
134.99670	5.1
138.02609	2.1
139.00589	1.7
140.04239	2.7
142.08618	2.2
143.00163	3.2
144.98068	2.0
145.01729	3.2
145.04929	2.0
146.08191	1.5
146.99654	3.9
147.03304	4.1
147.04413	24.5
148.03726	2.4
152.04123	4.4
152.98640	2.3
153.99026	1.7
155.04643	11.8
158.99675	31.3
159.03363	1.6
160.00060	4.3
160.09686	2.2
161.01204	4.4
161.04645	10.5
161.07076	2.0
161.54903	1.5
162.99065	2.2
164.05153	2.2
166.03816	1.8
170.05162	2.1
170.99619	5.3
173.01257	2.7
173.97194	1.9
174.04349	2.0
174.96939	3.0
175.02815	2.7
175.04427	10.0
177.00735	26.2
178.01062	4.0
182.03387	2.1
182.99698	1.6
184.04974	2.0
186.04449	4.2
187.02829	2.6
188.03737	1.6
189.00764	3.6
189.04372	2.2
190.04903	3.7
191.03922	2.9
201.00697	6.1
201.04309	1.4
204.10155	9.1
205.03841	1.7
211.07234	8.6
211.57396	2.9
212.97932	2.6
217.03862	2.2
219.01778	26.5
220.02078	7.3
221.12776	2.5
227.06792	20.1
227.56967	3.3
231.05307	1.7
233.06715	4.5
237.02808	20.2
238.03119	8.9
247.06522	2.0
261.02911	5.7
274.09280	1.8
275.17551	5.1
279.03897	6.0
291.07550	3.1
292.07611	3.3
292.10388	1.8
292.13388	2.4
292.20261	9.9
303.07532	2.4
309.08560	4.3
310.08902	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	291.232
Annotation	sterculynic acid
Peak:m/z	Relative Intensity
53.03939	5.7
55.01867	2.8
55.05266	1.9
55.05515	17.2
57.07076	5.5
61.29631	1.5
67.05181	3.3
67.05511	42.3
69.03417	1.9
69.07072	19.4
70.97594	1.9
70.97923	3.1
79.05496	68.7
81.07063	53.5
83.04977	2.0
83.08612	10.9
85.06534	4.0
91.05479	28.5
93.07051	100.0
93.66533	1.6
95.04966	5.3
95.08611	34.4
97.06546	4.6
97.10152	3.2
105.04528	2.8
105.07035	17.6
107.08605	59.7
108.55184	1.7
109.06524	2.5
109.10161	15.7
111.08063	3.3
117.07053	3.4
119.08581	15.6
121.10152	52.0
123.04399	3.9
123.08040	3.9
123.11723	2.2
125.09637	3.3
131.08569	8.6
133.10127	11.4
135.07983	2.7
135.11703	59.5
139.03922	4.8
141.05971	1.7
143.08502	2.6
145.10133	7.4
147.11717	11.3
147.26546	1.8
149.09685	3.3
149.13269	40.7
157.10083	2.3
159.11707	3.4
161.13220	8.5
163.11191	3.8
163.14868	9.3
171.11740	3.6
173.13290	2.4
175.14890	6.3
177.12791	2.3
177.16315	2.0
185.13292	5.9
195.13728	2.9
198.25861	1.6
203.10788	1.9
203.14374	3.3
207.13809	2.6
209.15433	2.8
217.19478	2.2
221.15376	3.0
231.13710	2.4
231.20802	2.1
233.15475	2.6
235.17090	2.2
241.19501	4.0
249.18546	4.9
252.16040	1.7
259.13385	5.2
259.20627	5.0
291.19925	4.2
291.23221	70.1
291.26508	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	291.1956
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
53.03940	4.1
54.50211	2.4
55.01872	12.2
55.05519	29.4
57.03436	7.0
57.07061	3.5
61.34419	2.3
65.03957	2.6
67.05180	3.2
67.05506	36.2
69.03434	8.0
69.07079	13.1
70.91021	4.4
71.04984	3.2
79.05076	3.7
79.05502	50.5
81.07059	54.2
83.04977	8.2
83.08610	10.8
85.06534	3.6
85.33841	2.6
91.05490	47.0
93.07041	39.4
95.04989	20.3
95.08617	30.4
97.06528	6.4
97.10159	9.0
105.03381	3.3
105.07043	41.5
107.04971	13.6
107.08613	24.4
109.06549	20.6
109.10157	7.1
111.08085	43.0
113.60007	2.5
115.05470	4.7
116.06264	3.0
117.07037	31.3
119.04938	5.1
119.08588	40.9
121.06507	21.8
121.10131	15.8
123.04430	14.6
123.08085	33.9
125.09635	6.9
128.06212	4.3
129.07002	12.5
131.08566	24.3
133.06496	6.8
133.10132	15.5
135.04352	2.9
135.08072	24.6
135.11734	6.4
137.13196	3.3
139.03923	23.1
142.07762	3.2
143.08569	16.7
145.10132	32.0
147.04395	5.8
147.08057	22.7
147.11707	6.6
149.09619	12.0
151.07555	100.0
155.08571	4.8
156.09314	3.7
157.10130	11.3
159.11716	9.1
159.48975	2.5
161.09621	17.3
163.11177	9.4
165.09117	2.8
171.11717	8.1
173.09622	5.0
173.13269	4.8
175.11197	8.2
179.10689	6.6
181.12268	3.0
185.13298	5.2
189.11189	3.0
189.12721	24.4
192.11420	4.0
195.11746	3.4
197.11734	14.0
207.13829	62.4
217.12192	3.9
217.15977	2.7
219.13910	2.4
223.13254	4.3
227.18048	2.9
234.54118	2.5
245.19096	4.3
249.14917	5.1
255.17458	7.7
261.07687	3.3
261.82874	3.4
273.18500	39.7
291.12567	4.2
291.19553	97.4
291.22897	5.8
291.27054	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	291.1957
Annotation	Ecklonialactone A
Peak:m/z	Relative Intensity
53.03944	1.1
54.28408	0.4
55.01882	2.9
55.05280	0.6
55.05520	9.5
57.03411	0.4
67.05506	5.4
69.03421	1.6
69.07082	2.6
69.94073	2.0
71.04995	1.0
77.35687	0.4
79.05505	8.6
81.03421	1.0
81.07067	7.6
83.04983	1.7
83.08634	3.9
85.06543	0.8
90.20203	0.4
91.05489	9.1
93.07056	7.4
94.04167	0.6
95.04977	3.3
95.08607	3.5
97.06518	0.9
97.10173	3.5
105.07044	6.8
107.04967	5.6
107.08607	3.7
108.05712	0.6
109.06548	0.5
109.10156	1.9
115.05468	0.5
117.07064	2.5
119.04937	2.3
119.08600	5.1
121.06541	2.6
121.10155	1.8
123.04446	1.2
123.08054	0.9
125.09643	1.6
129.07030	2.2
130.07787	1.0
131.08578	4.5
133.06525	3.8
133.10141	2.2
134.07274	1.2
135.08076	2.9
135.11690	0.5
139.03958	1.7
143.08559	1.9
145.10149	3.2
147.08051	3.3
147.11681	0.7
149.09618	2.2
157.10129	1.1
159.11713	1.1
161.09633	1.2
161.13403	0.5
162.10378	0.9
163.11244	0.5
163.43404	0.5
171.11710	1.1
175.11232	1.5
185.13382	0.6
189.12814	0.8
203.14421	0.5
204.77559	0.4
223.13307	1.3
245.19257	0.5
249.14844	2.4
249.18558	0.8
255.17484	0.7
261.14667	0.5
262.15521	0.5
273.18488	4.4
286.29376	0.4
291.19577	100.0
292.19910	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1959
Annotation	8-hydroxy-13Z-octadecene-9,11-diynoic acid
Peak:m/z	Relative Intensity
50.93777	0.9
51.75936	0.8
53.03941	1.1
55.01883	12.0
55.05274	1.0
55.05521	15.0
56.96552	1.0
57.03164	1.3
57.03445	20.5
57.07084	1.5
58.01139	0.7
59.04989	1.0
65.03934	3.5
67.05513	27.4
69.03417	2.9
69.07075	8.0
70.06563	0.8
71.04990	3.3
71.08623	0.6
71.51286	0.9
79.05504	35.2
81.03412	2.0
81.06590	1.5
81.07066	23.0
83.05006	3.9
83.08639	5.4
84.08108	0.8
85.06565	6.4
91.05495	34.0
93.03412	0.7
93.06483	1.5
93.07058	24.9
94.04174	1.0
94.86403	0.9
95.04981	19.8
95.08053	1.4
95.08620	15.8
97.06529	3.3
97.10177	2.8
98.97598	1.5
103.05496	1.4
105.07048	25.8
107.04976	10.8
107.08611	17.6
109.06535	100.0
109.10189	4.5
109.96701	0.8
111.04468	1.8
111.08084	4.4
113.05988	1.6
113.09640	1.2
115.05462	3.0
116.06237	2.7
117.07042	15.1
119.04958	1.8
119.08615	13.0
121.06526	5.1
121.10162	7.8
123.04458	5.6
123.08085	6.6
123.11710	1.2
125.05994	0.8
125.09631	1.3
127.03860	0.8
128.06219	3.8
128.98618	1.0
129.07030	9.2
130.07797	2.1
131.08592	20.5
133.06497	3.3
133.09236	1.0
133.10150	7.2
135.08075	46.5
135.11691	5.3
137.09619	2.0
139.03926	9.1
141.06978	3.0
142.07784	1.6
143.08589	8.8
145.10149	15.4
147.04399	1.9
147.08060	9.9
147.11705	4.4
149.09619	10.6
149.13275	2.4
151.07562	7.1
155.08543	1.6
157.10159	8.9
159.08098	2.8
159.11728	5.9
160.65193	0.8
161.05986	1.0
161.09648	14.8
161.13287	2.0
163.07591	0.8
163.11189	5.1
165.05566	1.8
165.09177	2.0
167.08670	0.8
169.10120	1.5
171.11693	3.6
173.09666	1.2
173.13292	2.4
175.11206	3.9
177.12761	1.3
181.10135	2.2
183.11755	3.0
185.09738	1.0
185.13304	3.2
187.11244	1.1
189.12781	3.1
189.16428	1.4
195.11734	1.9
195.13771	1.2
199.11185	1.0
199.14854	5.7
201.12785	3.1
202.07878	0.8
207.13829	4.3
213.12781	1.1
217.15906	22.4
219.13889	1.9
227.18002	2.9
231.17511	1.2
235.16986	2.0
237.16449	1.9
245.18977	3.5
249.18724	0.7
255.17461	6.4
259.07596	0.9
273.18539	32.9
291.10690	1.7
291.19583	57.1
291.27097	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	291.1957
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
53.03938	4.4
55.01866	9.1
55.05518	19.3
57.03431	3.0
65.03924	2.7
67.05508	29.2
69.03423	3.9
69.07075	8.3
70.90394	3.3
71.04983	4.1
71.08633	1.3
79.05496	29.2
79.84705	1.1
81.03425	10.4
81.07060	31.6
83.04976	5.3
83.08623	8.1
83.79450	1.2
84.10761	1.0
91.05488	34.2
93.07047	24.1
95.04981	14.3
95.08614	46.5
97.06538	3.1
97.10162	4.9
103.05491	2.4
105.07037	20.2
107.04945	12.4
107.08594	13.1
109.06512	5.0
109.10167	7.2
111.04420	2.0
111.08080	3.8
115.05473	1.6
117.07030	9.4
119.04941	2.7
119.08582	17.7
121.06532	10.1
121.10159	5.5
123.04414	9.9
123.08071	14.9
123.11751	2.0
125.09624	4.4
129.07011	7.1
130.07800	1.7
131.08600	10.5
132.05632	1.3
133.06509	6.5
133.10161	11.2
135.08051	12.5
135.11691	3.8
137.09598	6.6
139.03891	15.3
143.08575	6.3
145.06512	2.4
145.10123	10.8
147.04427	5.0
147.08054	10.9
147.11664	3.0
149.09645	7.6
149.13200	1.4
151.07581	2.7
151.11211	1.6
153.09128	2.1
157.10176	3.0
159.08044	1.9
159.11710	3.6
161.05980	2.0
161.09633	12.7
161.13258	2.5
163.11220	4.1
165.05577	1.6
165.09140	3.8
169.10176	1.9
171.11720	3.4
173.09647	1.6
175.09792	1.3
175.11151	6.2
177.09082	1.9
177.12706	2.0
179.10606	1.3
181.10274	1.4
185.13342	1.6
189.11192	1.4
189.12741	3.0
193.12207	1.5
195.11742	1.3
199.11185	1.5
223.13354	3.1
227.17955	2.6
245.19077	5.0
249.14850	6.0
249.18607	1.7
255.17482	3.8
262.15479	1.3
273.18500	22.4
277.46478	1.3
291.19568	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1955
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
51.22535	4.1
53.03947	7.8
55.01870	18.2
55.05519	25.8
57.03442	11.9
58.89841	5.4
67.05505	62.3
67.46964	4.4
69.03427	9.8
69.07081	14.4
69.93348	21.3
71.04998	5.9
77.25643	4.2
78.63739	5.1
79.05498	70.7
81.03448	8.2
81.07060	100.0
83.05003	7.5
83.08618	10.6
85.06552	10.2
91.05482	54.3
93.07052	36.9
95.04982	61.9
95.08592	24.2
97.10201	6.5
98.21414	6.4
98.98438	6.0
105.07040	42.8
107.04962	33.6
107.08594	24.9
109.06518	98.0
109.10149	15.2
116.62751	4.3
117.06311	4.5
117.07011	22.0
119.05017	7.5
119.08591	28.5
121.06516	15.0
121.10186	11.1
123.04437	36.8
123.08116	8.3
123.11736	6.2
127.03907	5.1
129.07027	11.5
131.08568	22.3
133.06529	11.0
133.10136	10.3
135.08067	68.3
135.11687	7.4
137.87227	4.9
139.03918	47.0
143.08592	17.8
145.10112	12.8
147.04395	11.1
147.08046	13.4
149.09636	22.1
155.08636	4.5
157.10118	12.6
159.11678	6.4
161.06050	5.8
161.09654	11.2
161.87077	4.7
163.11250	7.3
165.05463	7.2
175.11296	4.7
185.13361	6.0
207.06514	7.2
217.15913	10.4
243.25217	5.0
245.19189	4.9
249.14949	6.7
249.23416	6.6
255.17522	7.1
273.18512	36.6
291.10553	8.8
291.19540	73.0
291.27243	27.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1957
Annotation	8-hydroxy-13Z-octadecene-9,11-diynoic acid
Peak:m/z	Relative Intensity
53.03938	8.9
55.01878	25.9
55.05513	36.8
57.03197	2.2
57.03444	29.2
57.07070	5.0
65.03931	2.7
67.05508	58.0
68.99722	2.4
69.03430	4.5
69.07076	22.6
69.71935	2.1
71.04976	6.4
71.24014	4.1
74.44598	1.9
79.05500	74.2
81.03411	7.8
81.07060	54.7
83.04973	7.8
83.08633	11.9
84.08199	2.1
85.06541	6.9
91.05488	60.1
93.07053	53.5
95.04979	29.4
95.08616	46.0
97.06518	5.5
97.10154	2.6
105.04546	2.3
105.07040	45.1
107.04968	25.2
107.08606	38.5
109.06525	58.5
109.10160	12.4
111.08083	3.0
115.05464	6.8
116.06231	5.5
117.07024	24.6
119.04987	3.9
119.06149	3.3
119.08592	25.7
121.06519	12.3
121.10163	16.3
123.04424	16.4
123.08057	18.3
125.09615	3.6
128.06226	4.8
129.07014	14.7
130.07840	2.8
131.08572	37.5
133.06511	11.4
133.10143	21.6
135.08061	91.0
135.11662	8.1
137.09627	8.1
139.03929	20.4
141.06943	2.1
143.08563	13.9
145.10126	29.2
147.04359	3.5
147.08057	13.3
147.11661	7.7
147.55281	2.1
149.09613	19.7
149.13280	6.0
151.07509	2.8
156.50847	2.0
157.10133	14.7
159.08031	8.3
159.11745	11.1
161.09625	27.6
161.13213	3.8
163.11241	6.0
163.14822	2.4
165.05527	2.9
169.10127	4.4
171.11740	10.8
173.09747	2.5
173.13326	6.0
175.11218	7.8
177.12798	3.2
181.10086	3.5
183.11743	4.2
185.09625	3.8
185.13269	4.0
187.11165	2.5
189.12810	5.1
195.11765	3.8
199.11035	2.5
199.14839	6.5
201.12862	2.7
203.14264	2.7
217.15916	32.2
219.13736	3.1
227.17923	5.1
237.16522	3.9
245.19006	7.0
255.17480	8.3
263.20065	5.0
273.18521	50.9
282.50549	2.3
291.19571	100.0
291.22849	4.8
291.26804	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	291.0976
Annotation	N2-Malonyl-D-tryptophan
Peak:m/z	Relative Intensity
56.91401	1.3
58.27386	1.4
60.41707	1.4
60.61846	1.3
61.10104	1.3
65.24540	1.4
70.65102	1.7
70.65978	4.4
87.00861	1.8
88.03970	1.7
103.95417	1.7
105.10570	1.3
115.05466	5.8
118.06573	12.9
130.06532	100.0
132.08099	38.7
142.06538	11.7
144.08089	5.7
146.05992	18.9
156.08083	4.2
157.07619	7.2
158.06020	2.5
158.08385	5.7
159.09180	85.3
160.07582	5.7
167.06078	3.6
169.07597	3.3
170.04646	2.8
170.06030	38.5
172.07564	2.4
181.07559	1.6
183.09149	4.3
184.07591	16.5
185.07106	45.9
187.08644	4.6
188.07076	44.1
199.08638	2.6
200.07164	7.7
201.10251	17.6
205.09756	1.7
227.08159	43.2
229.09682	2.9
231.07695	2.9
245.09229	80.7
254.33105	1.6
255.07796	3.5
273.08673	6.4
291.09756	2.3
291.14481	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	291.0864
Annotation	(+)-Epicatechin
Peak:m/z	Relative Intensity
51.71793	0.4
55.01874	1.7
57.13372	0.4
59.58488	0.5
65.03950	1.1
67.05495	1.4
68.99796	1.9
70.56628	1.5
83.03373	0.5
83.04989	1.2
85.02900	0.7
91.05484	1.9
93.03417	0.8
94.31689	0.4
95.04963	3.1
97.02882	0.7
101.39352	0.4
102.51234	0.4
105.03394	0.7
106.68971	0.4
111.00762	0.6
111.04459	2.8
112.36713	0.4
115.05484	1.4
119.04953	5.5
123.04442	64.2
124.04789	0.7
127.03941	1.1
127.04956	0.4
131.04987	0.8
133.06516	1.1
135.04369	0.6
137.02350	1.3
137.05946	0.9
139.03917	100.0
140.04251	0.6
143.04926	3.3
147.04427	21.7
151.03912	2.4
153.05502	0.7
161.05994	8.8
161.07280	0.6
163.03925	1.3
165.05490	12.9
169.05057	1.0
177.05481	0.8
179.07101	3.0
181.04906	0.7
189.05522	2.3
195.61201	0.5
207.06563	6.5
249.07558	0.8
253.00070	0.5
273.07455	0.8
276.70175	0.5
280.13388	0.5
291.08688	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0842
Annotation	Unknow
Peak:m/z	Relative Intensity
60.52816	5.9
65.86251	5.9
69.87893	18.5
69.88303	17.2
75.42393	5.9
85.02920	8.6
91.25046	6.9
98.97601	17.6
101.00866	6.0
106.16392	6.3
110.97613	6.0
143.99922	5.8
159.76097	5.7
159.81837	5.8
189.23955	6.8
270.11292	7.0
287.82089	6.3
291.08112	31.6
291.11084	100.0
312.64081	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0841
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83025	0.5
55.01874	0.6
55.05514	1.7
56.96299	1.2
56.96569	17.1
57.03445	0.8
63.97977	0.6
69.03441	3.0
69.54033	1.9
69.54462	2.1
71.01360	0.9
71.04996	0.6
71.95262	2.2
73.02941	0.8
73.06560	1.5
84.96034	2.3
85.02897	2.4
95.62476	0.6
97.02886	3.6
98.97593	100.0
101.00851	0.7
110.97575	14.1
112.99139	1.6
113.02332	0.9
116.98629	20.6
116.99464	1.1
119.01896	0.8
124.99157	1.0
127.00687	1.4
128.98616	7.1
129.02184	1.4
131.00240	0.8
134.99687	2.2
139.03946	1.5
140.98604	2.0
143.00182	2.3
143.01915	0.7
144.98109	1.0
145.01773	2.0
146.04141	1.2
146.99673	2.0
147.03276	3.3
152.98643	1.8
155.04654	8.9
155.54797	0.7
158.99670	32.4
161.01231	0.9
164.05220	1.7
165.04347	1.4
165.88155	0.7
166.55434	1.3
170.99680	2.7
171.03291	2.9
177.00734	17.2
177.02213	1.2
189.00748	0.8
189.04372	5.7
201.00790	1.6
203.05721	1.6
207.05408	1.2
210.06599	0.7
210.54773	0.6
219.01770	12.8
231.05391	2.2
237.02837	11.4
249.06584	0.9
291.07672	9.0
293.10861	0.8
309.08600	22.1
309.75504	0.7
310.09061	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0566
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67399	1.5
56.60751	1.5
56.96576	8.2
70.17742	6.1
70.18127	3.5
71.95284	2.9
74.93128	1.6
82.99868	5.8
84.96047	2.3
86.99347	1.9
97.01408	2.8
97.02907	2.4
98.97600	38.1
101.00896	43.8
113.00867	7.1
115.02456	30.5
116.98608	8.9
119.01941	42.8
119.02624	1.1
127.02461	2.7
131.01913	8.9
131.83162	1.7
133.03487	53.8
137.03009	4.5
142.01122	6.0
143.00301	2.6
143.01889	11.2
145.03461	10.1
147.05049	4.3
151.04536	6.0
157.03496	3.8
159.01407	3.5
160.02209	3.7
161.02988	19.4
173.01271	14.4
173.03008	19.8
175.04549	3.9
177.00882	2.1
177.02391	4.2
191.02336	4.8
191.04053	21.5
197.25906	1.5
198.21657	1.6
201.02469	53.9
209.05090	4.3
209.18910	1.7
214.05838	1.6
217.02049	3.8
219.03539	100.0
220.03706	2.1
231.03592	3.0
237.04616	3.9
242.05087	2.7
249.04575	8.4
261.04639	2.9
263.06186	3.3
267.05621	2.3
273.04614	2.2
291.05823	8.8
308.90714	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2164
Annotation	3-Methoxyestra-2,5(10)-dien-17beta-ol
Peak:m/z	Relative Intensity
55.05508	39.3
57.07066	9.2
59.05011	61.4
67.05504	13.0
69.07065	16.0
76.72037	5.8
79.05491	12.6
79.73488	5.4
81.07041	15.6
83.08630	7.4
85.06552	100.0
91.05470	24.3
93.07057	34.7
95.08611	41.6
96.32711	5.2
99.08079	25.8
105.07034	18.7
107.08584	25.1
109.10146	13.9
111.08156	6.2
117.07019	10.1
119.08564	25.0
121.10137	19.4
123.11671	7.0
125.09610	27.3
131.08530	29.0
133.10133	24.1
135.11630	7.7
143.08559	13.4
144.09344	7.3
145.10106	18.8
147.11691	14.4
155.08527	7.2
157.10118	33.8
158.10921	7.9
159.08104	8.0
159.11684	24.2
169.10030	12.7
171.11688	11.5
173.13255	39.5
177.12663	13.1
183.11705	30.3
184.12532	7.9
197.13210	20.1
198.13817	9.4
199.14879	8.1
201.12776	9.7
209.13283	8.1
211.14719	8.5
213.16440	9.5
215.14304	6.9
217.15947	7.7
233.15295	8.4
239.17967	19.9
257.18979	15.0
259.16656	7.7
271.20709	12.4
289.21625	99.8
289.24860	6.2
289.29132	6.6
298.31058	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	289.092
Annotation	Dianthoside
Peak:m/z	Relative Intensity
50.74998	0.3
53.03936	0.7
55.47938	0.3
57.03427	0.7
58.66724	0.2
61.02928	0.7
69.03423	1.3
69.55691	2.0
71.04968	0.4
73.02931	0.4
81.03410	0.9
85.02911	4.0
87.71212	0.3
91.03918	0.5
97.02904	1.4
98.21552	0.6
99.04473	0.3
109.02888	1.1
115.97948	0.3
123.04448	0.4
127.03927	100.0
128.04298	0.8
135.04378	0.6
139.03894	0.9
145.04968	0.7
169.97923	0.3
262.17819	0.3
269.51813	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1647
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	7.5
55.05508	13.7
58.49762	4.9
67.05497	19.3
69.07069	15.7
70.56137	14.4
71.04982	15.1
75.50014	5.9
79.05494	18.8
81.03406	5.6
81.07066	45.2
83.04957	16.1
85.06541	10.7
89.49319	6.1
91.05478	13.3
93.07042	48.8
95.04973	19.4
95.08617	46.8
97.06537	30.7
99.04457	27.3
99.08092	7.0
105.07023	40.5
107.08577	27.3
109.06552	30.4
109.10150	8.0
111.08084	18.1
113.06062	6.5
119.08563	21.9
121.02846	6.0
121.06516	80.4
121.10156	7.4
123.04421	13.5
123.11679	9.8
125.05969	8.9
126.72285	5.4
127.07539	6.2
131.04919	8.1
133.10144	21.0
135.04434	25.6
135.08060	12.2
137.05948	5.6
139.03900	7.3
139.07553	17.3
143.07057	10.5
143.08469	7.0
147.11694	46.0
151.11160	10.2
153.01865	12.5
157.08621	12.3
157.10132	14.6
159.06564	12.3
161.13257	9.2
165.12781	16.6
169.12245	17.7
171.11700	14.3
175.11258	31.6
183.14815	5.6
189.12730	19.7
193.12267	26.6
199.11169	23.3
207.13857	13.4
211.13402	31.0
215.07068	5.2
217.12265	84.4
229.14391	9.9
235.13295	72.2
253.14330	38.2
289.06079	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1128
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.6
55.01863	0.7
55.05511	0.5
56.96571	0.2
57.03447	2.0
59.05002	0.4
61.02935	1.8
65.03951	2.1
67.01871	0.3
67.05522	1.4
68.99793	2.1
69.03437	2.7
69.07060	0.3
70.06596	0.6
71.01350	0.6
71.04980	0.7
71.09296	0.5
72.08157	0.6
75.04479	1.6
79.05505	4.1
81.03421	1.2
81.07047	0.7
83.04964	0.7
84.08142	0.4
85.02927	1.0
86.09714	0.4
86.59340	0.2
87.04464	0.3
91.05495	1.5
93.03417	3.1
93.07033	0.4
95.04980	1.8
95.08591	0.4
97.02903	1.6
97.06492	0.5
98.97584	0.5
99.04482	0.2
101.02415	0.3
101.06030	0.4
103.05453	0.6
105.03396	1.1
105.07031	0.4
107.04969	6.0
107.08577	0.3
108.02113	0.3
109.02915	1.0
109.06505	0.3
109.10149	0.3
110.03677	4.4
110.93999	0.2
111.00842	1.4
111.04456	4.3
112.20564	0.2
113.02363	0.7
113.06023	0.4
115.05489	0.4
117.03407	0.4
117.07045	0.3
119.04932	0.5
119.08604	0.4
121.02884	5.8
121.03777	0.2
121.06527	2.2
122.03642	0.7
123.04444	1.4
123.08024	0.3
124.05212	0.2
125.02367	0.4
125.06006	18.8
127.03945	0.6
128.06247	0.5
129.05495	1.2
129.06984	0.5
133.02873	2.8
135.04430	5.0
137.02367	2.8
137.06029	1.6
137.09647	0.6
139.03934	1.0
141.05513	1.0
141.07072	0.3
142.88683	0.2
143.04912	0.4
145.06496	0.6
147.04419	1.6
147.08089	0.3
149.02362	0.4
149.05998	4.5
150.03160	1.7
151.03928	15.7
151.05048	1.5
151.07477	0.4
152.04698	0.5
153.01833	8.0
153.05463	1.5
153.06544	0.2
157.04979	0.7
157.06523	1.5
161.05981	0.5
162.03165	0.7
163.03928	2.2
163.07556	0.9
165.01860	3.0
165.05501	5.9
167.07056	4.3
169.06760	0.3
171.04442	0.6
175.03880	1.0
175.32182	0.2
177.05496	7.1
180.04202	2.0
181.08606	0.6
183.02931	1.0
183.06596	0.3
185.05974	1.4
189.05476	0.5
193.04971	0.7
195.06563	4.0
197.06013	0.3
199.03917	0.3
199.09706	1.2
201.05588	0.4
203.03534	0.7
203.07149	0.3
212.04684	0.3
213.05499	4.2
213.07631	1.9
216.04192	0.3
217.04948	0.2
222.53760	0.3
225.07657	1.9
229.04976	0.5
231.06592	1.4
233.08208	0.3
233.30573	0.2
239.09140	0.4
241.04953	2.1
245.04453	0.3
251.09122	0.3
258.05170	1.6
259.06033	0.9
269.04379	0.5
269.10278	0.7
287.05533	100.0
287.11014	6.5
288.05878	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1104
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96675	0.7
53.03938	0.8
55.05509	1.4
56.96574	5.2
59.04994	0.8
61.02929	0.8
67.05486	1.0
69.03432	4.6
70.06578	2.5
70.92091	1.4
70.92461	1.5
70.98101	1.0
71.04978	1.2
72.08151	1.3
73.02925	1.3
73.06564	0.8
73.43196	0.7
81.03434	1.4
82.99859	1.1
84.08165	0.9
84.96057	1.1
85.02898	5.6
97.02877	3.3
98.03114	1.7
98.97590	9.4
99.04447	1.4
100.99152	0.9
101.00893	7.6
102.96872	2.6
105.69408	0.7
108.52928	0.7
109.02907	1.2
110.97556	2.6
111.04448	0.7
112.07609	1.2
112.99130	0.8
113.02363	1.3
115.00681	1.0
116.98600	2.1
119.01918	6.2
121.02873	1.7
124.03922	2.0
125.04314	2.0
127.00698	0.8
127.03860	1.0
129.05450	1.0
131.01927	1.7
137.02328	0.8
143.01913	23.6
145.03342	1.1
145.04962	0.7
150.58778	0.7
153.01866	1.5
154.03911	2.8
155.04681	3.2
158.99680	3.1
159.03346	1.1
161.02972	22.0
161.04648	4.2
162.98972	2.6
163.99252	0.9
165.01707	0.8
170.05193	13.6
177.00760	1.4
177.04308	2.2
203.03946	2.9
206.08040	4.0
213.05515	2.3
219.01738	1.7
223.01088	0.9
237.02821	1.4
242.07271	3.1
276.84735	0.7
278.14932	0.7
287.05698	39.9
287.11008	100.0
288.11288	1.1
307.06845	0.9
309.08456	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0551
Annotation	Luteolin
Peak:m/z	Relative Intensity
53.03943	0.3
55.01876	0.2
65.03949	0.5
67.01857	0.4
68.99442	0.3
68.99791	3.1
69.03432	0.3
71.02191	0.4
79.05487	0.6
81.03421	0.3
95.04953	0.3
103.05447	0.3
105.03407	1.0
107.04975	1.3
109.02905	1.0
111.00806	2.0
111.04446	0.4
111.48773	0.2
115.05465	0.3
119.04944	0.3
121.02879	7.9
127.03895	0.3
128.06207	0.3
129.07021	0.6
133.02888	1.2
135.04430	0.4
137.02341	2.4
140.75154	0.2
141.06992	0.5
145.06490	1.0
147.04443	1.5
152.64478	0.2
153.01837	13.8
157.06508	1.8
161.05948	0.4
163.03934	0.2
165.00565	0.3
165.01863	4.3
171.04410	0.9
175.04042	0.3
183.02943	1.8
183.89175	0.2
184.05138	0.2
185.05957	1.2
189.05466	0.3
197.06024	0.5
203.07030	0.4
213.05487	3.7
216.04239	0.2
229.04994	0.6
231.06522	1.7
241.05020	1.9
258.05243	2.4
259.05960	1.0
269.04428	0.5
287.05518	100.0
288.05853	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0551
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.3
53.31794	0.1
55.01867	0.2
65.03934	0.3
67.01852	0.4
68.99799	2.1
69.03429	0.3
79.05498	0.7
81.03412	0.4
91.05490	0.2
92.73511	0.2
105.03413	1.1
107.04966	1.1
109.02903	0.8
111.00829	1.2
111.04500	0.3
115.05458	0.3
119.04932	0.2
121.02884	7.1
121.03875	0.3
127.03888	0.2
129.07036	0.3
133.02890	0.9
135.04439	0.3
137.02345	2.0
141.07011	0.4
145.06502	0.6
147.04456	1.4
153.01848	10.8
157.06529	1.6
160.23766	0.2
161.05992	0.4
165.01855	3.5
171.04454	0.6
175.04025	0.2
175.07631	0.2
183.02924	1.6
185.05983	1.0
188.04480	0.2
189.05522	0.4
197.05965	0.3
203.03325	0.2
203.07007	0.2
213.05486	3.0
216.04416	0.2
217.04984	0.2
229.05055	0.4
231.06549	1.1
240.08176	0.2
241.04985	1.3
245.04578	0.2
258.05264	2.1
259.06036	1.0
269.04422	0.6
287.05527	100.0
288.05792	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0551
Annotation	Luteolin
Peak:m/z	Relative Intensity
51.11943	0.2
53.03933	0.2
65.03930	0.4
67.01868	0.3
68.99794	2.5
70.66892	0.7
79.05492	0.7
81.03424	0.3
95.04936	0.3
101.51586	0.2
103.05448	0.4
105.03404	0.8
107.04953	1.2
109.02874	0.4
109.72397	0.2
111.00822	1.8
111.04449	0.6
115.05470	0.2
121.02882	6.8
121.03837	0.4
129.07008	0.6
133.02846	1.0
135.04451	0.6
137.02345	2.3
141.06963	0.3
145.06506	0.6
147.04411	1.7
153.01852	13.2
157.06511	1.3
161.05978	0.5
165.01862	3.7
169.06544	0.3
171.04388	0.6
183.02888	1.6
185.06026	1.5
197.06024	0.4
203.03409	0.2
203.07060	0.5
212.04707	0.3
213.05466	3.4
219.02570	0.2
222.68790	0.2
229.05013	0.4
231.06587	1.5
241.04919	1.6
258.05276	2.9
259.06046	0.8
269.04465	0.3
287.05524	100.0
288.05832	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0552
Annotation	Luteolin
Peak:m/z	Relative Intensity
50.08898	0.1
51.02392	0.1
51.50948	0.1
55.01864	0.2
56.30137	0.1
65.03951	0.6
67.01863	0.4
68.99798	2.4
69.03432	0.2
69.70725	0.5
69.71137	0.2
78.88276	0.1
79.05508	0.7
81.03425	0.4
91.05484	0.2
93.47658	0.1
95.04964	0.3
97.02829	0.2
98.21572	0.1
103.05480	0.3
105.03419	0.9
107.04967	1.1
109.02895	0.7
111.00824	1.4
111.04446	0.4
115.05442	0.2
119.04917	0.2
121.02883	7.2
121.03934	0.4
127.03912	0.4
128.06241	0.1
129.07007	0.4
131.97055	0.1
133.02892	0.9
135.04430	0.3
137.02368	2.0
141.06953	0.3
145.06505	0.4
146.83455	0.1
147.04424	1.6
153.01845	10.8
155.06076	0.1
157.06519	1.5
161.02309	0.1
161.05966	0.3
165.01855	3.5
169.06503	0.3
171.04373	0.6
175.03897	0.1
183.02901	1.7
185.05910	1.0
185.07097	0.1
189.05501	0.2
197.05981	0.4
203.07112	0.2
213.05467	3.0
216.04286	0.2
217.04933	0.1
229.05031	0.4
231.06505	1.2
241.05006	1.6
243.06538	0.3
258.05283	2.2
258.08066	0.1
259.06021	0.7
269.04422	0.4
287.05524	100.0
288.05832	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.055
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.3
65.03936	0.4
67.01855	0.3
68.99790	2.3
69.03424	0.3
69.95285	0.6
71.01369	0.2
79.05481	0.6
81.03417	0.3
95.04966	0.2
105.03407	0.8
107.04962	0.9
109.02899	0.7
111.00818	1.3
111.04462	0.3
115.05499	0.2
115.20940	0.1
121.02879	6.4
121.03874	0.3
121.06513	0.1
127.03903	0.4
128.06223	0.2
129.07005	0.3
133.02876	1.0
135.04376	0.4
137.02350	2.0
141.06931	0.2
145.06506	0.5
147.04373	1.3
153.01842	9.3
154.33293	0.1
157.06512	1.2
161.06035	0.5
165.01848	3.5
171.04437	0.6
172.60669	0.1
175.03897	0.2
183.02890	1.6
185.05957	0.8
189.05528	0.2
194.02109	0.2
197.06049	0.3
203.07030	0.3
213.05464	2.8
216.04250	0.2
229.05014	0.3
231.06525	1.1
236.58188	0.2
241.04942	1.6
243.06401	0.2
258.05261	1.9
259.06116	0.7
269.04520	0.3
284.59747	0.1
287.05508	100.0
288.05875	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0551
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.2
65.03928	0.3
67.01859	0.4
68.99799	2.8
69.03407	0.3
69.06248	0.2
70.30675	0.5
79.05484	0.6
81.03410	0.2
103.05494	0.2
105.03424	1.1
107.04942	1.6
109.02910	1.0
111.00807	1.6
111.04426	0.3
117.07032	0.3
121.02879	7.1
121.03859	0.5
127.03903	0.3
129.07022	0.5
133.02812	1.1
137.02332	2.4
145.06496	0.5
147.04427	1.3
153.01845	11.3
157.06488	1.6
161.05983	0.3
165.01837	3.3
169.06490	0.2
171.04431	0.7
183.02895	1.4
185.05936	1.2
189.05513	0.4
197.05968	0.3
203.03394	0.3
203.07097	0.4
213.05476	3.2
229.05020	0.7
231.06548	1.2
241.04971	1.5
258.05231	2.1
259.06036	0.7
269.04489	0.4
287.05515	100.0
288.05798	1.5
300.83621	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0551
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.1
65.03940	0.4
67.01865	0.4
68.99438	0.2
68.99791	2.7
69.67149	0.9
73.50722	0.1
79.05486	0.8
81.03407	0.3
91.05435	0.2
92.05424	0.2
95.04974	0.4
99.34736	0.2
103.05423	0.2
105.03400	1.0
107.04955	1.5
109.02888	1.0
111.00816	1.3
111.04466	0.2
115.05478	0.2
119.04945	0.3
121.02876	7.5
121.03932	0.4
127.03909	0.2
128.06235	0.2
129.07031	0.4
133.02869	1.0
135.04410	0.5
137.02351	2.6
137.05933	0.2
141.07013	0.3
143.04985	0.2
145.06488	0.6
147.04427	1.2
153.01839	11.8
154.02086	0.2
157.06500	1.7
161.06001	0.5
163.07452	0.2
165.01839	3.9
167.08562	0.2
169.06525	0.3
171.04388	0.7
175.03860	0.3
183.02911	1.7
185.05991	1.3
189.05469	0.2
194.02127	0.2
195.08096	0.4
197.06029	0.3
201.05676	0.2
203.03404	0.2
203.07076	0.3
213.05482	2.9
227.10574	0.3
229.04962	0.5
231.06506	1.2
241.04945	1.6
242.05850	0.1
243.06612	0.2
255.10248	0.2
257.04755	0.2
258.05280	2.1
259.06036	0.8
269.04477	0.4
276.79248	0.1
287.05508	100.0
288.05823	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0551
Annotation	Luteolin
Peak:m/z	Relative Intensity
53.03932	0.2
56.28604	0.2
60.21945	0.1
65.03934	0.4
67.01863	0.2
67.07722	0.2
68.99799	2.0
70.28680	0.5
70.29066	0.3
79.05518	0.4
80.40651	0.2
81.03412	0.2
85.02925	0.2
93.03379	0.2
97.02855	0.2
103.05460	0.2
105.03407	0.9
107.04974	1.0
109.02865	0.6
111.00820	1.3
111.04488	0.2
121.02879	6.8
121.03918	0.5
126.27322	0.2
127.03915	0.3
129.07074	0.3
133.02879	1.0
135.04456	0.3
137.02351	2.0
141.07019	0.2
142.48299	0.2
145.06535	0.4
147.04416	1.3
153.01842	9.4
157.06494	1.2
161.06001	0.5
165.01851	3.6
169.06572	0.2
171.04425	0.7
173.06093	0.2
175.03873	0.2
175.07494	0.2
183.02907	1.6
185.05977	0.9
189.05579	0.2
197.06071	0.3
203.03313	0.2
203.07047	0.4
213.05486	3.1
217.05019	0.2
229.04951	0.4
231.06509	1.4
241.04935	1.1
258.05280	2.1
259.06058	0.9
269.04605	0.3
287.05521	100.0
288.05899	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.3105
Annotation	ES-285
Peak:m/z	Relative Intensity
54.84166	0.2
55.05501	0.3
57.05816	0.3
57.07082	6.7
57.87011	0.2
58.06602	1.4
59.04538	0.2
62.06081	0.8
66.59126	0.2
67.05505	0.4
69.07076	0.4
70.06594	1.5
70.55736	0.7
71.08289	0.3
71.08639	3.6
72.08160	21.1
79.05480	0.5
81.07063	0.5
83.08636	0.2
85.10195	1.4
87.04485	0.3
88.07626	1.3
90.09200	14.9
90.39962	0.2
93.07031	0.3
95.08630	0.4
98.21433	0.2
98.98480	0.2
121.02874	0.4
121.10160	0.2
131.08565	0.2
137.02368	0.3
138.60384	0.2
153.01820	0.3
156.17455	0.2
167.32112	0.2
167.84462	0.2
174.18523	0.6
188.28630	0.2
212.23761	0.7
216.09973	0.2
226.25226	0.3
230.24791	4.0
242.28506	0.8
258.05197	0.3
285.91971	0.4
286.31052	100.0
287.05515	6.8
287.31329	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.3106
Annotation	ES-285
Peak:m/z	Relative Intensity
50.68724	0.3
57.06799	0.7
57.07080	12.3
57.89274	0.3
58.06611	2.3
58.14665	0.3
62.05801	0.4
62.06095	6.9
69.25350	1.0
69.25767	2.1
71.08639	6.0
72.08158	0.9
81.33904	0.3
85.10174	1.2
87.36377	0.3
87.37039	0.3
89.59930	0.3
93.59642	0.3
102.80724	0.3
125.13118	0.4
127.40469	0.3
144.02882	0.4
156.17485	1.2
174.18558	4.6
212.23773	6.9
228.23318	0.4
230.22449	0.6
230.24806	32.6
286.31055	100.0
287.05463	3.7
287.31470	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.3104
Annotation	ES-285
Peak:m/z	Relative Intensity
53.03942	0.5
55.01858	0.4
55.05512	2.4
57.06802	0.6
57.07081	12.4
57.93556	0.6
58.06618	2.1
62.05801	0.5
62.06094	8.2
67.05513	5.0
68.05832	0.5
68.99786	0.4
69.07061	1.3
71.08636	6.1
71.50883	0.5
72.08146	0.9
79.05506	3.4
81.03419	0.4
81.06670	0.3
81.07071	4.5
82.07409	0.4
83.08642	0.5
85.10188	2.3
90.09171	0.4
91.05495	1.7
91.10503	0.3
93.07043	2.9
95.08618	4.3
97.02896	0.7
97.06583	0.4
102.96936	0.8
104.94743	0.4
104.98464	0.7
105.07045	0.8
106.07275	0.4
107.08616	2.0
109.10146	2.0
114.96901	0.5
116.98476	1.0
119.08602	0.5
121.02824	0.7
121.10158	1.2
131.08553	0.6
132.95880	0.4
135.11737	0.6
137.02339	0.9
142.99983	0.4
145.06522	0.4
148.97462	0.5
150.98901	0.4
153.01851	0.6
159.11777	0.4
160.97504	0.9
164.98419	0.6
166.98506	1.3
170.95869	0.4
174.98991	0.5
176.96948	1.5
178.98552	0.9
188.96942	0.7
189.00462	0.5
200.96799	0.4
203.02164	0.6
213.05421	0.8
218.97968	0.4
220.99362	0.4
231.01608	0.4
235.01172	0.5
236.99046	0.9
241.05040	0.6
261.22144	0.4
268.29990	4.7
285.91904	0.5
286.31061	100.0
287.05511	18.1
287.31409	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.0923
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.3
54.04602	0.7
55.01866	2.4
56.96567	6.0
57.03432	1.6
60.49654	0.8
61.02916	2.6
67.05504	2.2
68.99789	1.0
69.03426	6.0
69.07072	26.0
69.67548	0.7
70.06601	10.5
71.01351	1.5
71.04996	1.5
71.16586	0.7
71.51885	1.4
72.08135	2.1
73.02911	2.8
79.05516	0.9
80.05009	3.1
81.03408	2.7
81.07064	0.8
83.04974	1.0
84.08151	1.5
84.96045	1.7
85.02910	14.1
86.09692	1.9
87.04476	1.8
87.08105	3.0
91.05489	1.2
93.07057	0.8
95.04935	1.4
96.04479	2.4
97.02898	6.6
98.96942	1.4
98.97588	24.2
99.04450	1.4
99.40060	0.9
105.03424	1.1
105.07063	1.0
108.04443	0.8
109.02900	1.5
110.06029	1.2
110.07124	0.8
110.97565	4.3
111.04449	1.4
112.05081	1.5
112.07584	2.5
112.08720	0.8
115.05482	0.7
116.07071	2.1
116.98624	6.0
119.01810	1.7
119.04926	1.1
121.02841	2.1
122.06019	1.9
123.04455	1.7
124.03960	100.0
124.07577	4.8
125.05939	1.0
127.03920	3.6
128.02327	2.2
128.98593	4.8
133.09976	0.8
134.99654	1.0
137.02350	1.8
138.05450	1.2
140.03404	0.8
140.07082	5.1
143.00208	1.8
145.04939	1.4
146.99689	1.2
147.04373	0.9
153.01842	2.6
153.04903	6.0
154.06110	0.8
154.08594	0.8
158.99675	11.3
159.03313	2.1
161.02850	1.1
161.04790	3.0
161.06017	1.1
161.54834	1.1
162.05435	32.5
164.07054	1.2
167.07004	1.7
168.06583	3.9
170.99677	1.4
171.05997	4.9
173.56264	2.4
174.05505	1.3
177.00690	7.6
177.04298	1.2
179.05923	1.9
182.03329	1.3
183.06033	1.4
185.09235	3.6
189.00633	1.2
201.00665	1.7
203.05908	1.8
205.09067	1.8
213.05392	1.0
213.07079	6.8
213.57063	1.3
219.01767	6.5
223.09575	0.8
225.07039	1.8
226.09572	3.2
234.07545	13.6
234.57730	1.3
237.02774	4.7
240.10211	1.2
254.08922	2.6
258.05212	0.8
261.02835	1.1
268.11823	1.0
286.09201	2.5
286.11969	2.8
287.05524	40.6
287.10806	1.4
305.09024	4.1
309.08673	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.0923
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43102	0.6
55.01873	6.5
55.05509	0.8
56.05009	0.6
57.03442	0.9
57.44828	0.6
63.51201	0.6
67.05495	2.2
68.65334	0.6
68.99796	1.4
69.03426	1.1
69.07074	65.3
70.06598	12.9
71.51302	0.9
72.08156	1.2
79.05505	0.8
81.03407	1.5
83.04982	1.0
84.04485	0.8
84.08122	1.1
85.02897	0.8
85.04002	0.7
86.09694	2.2
89.30065	0.6
89.66092	0.7
91.05492	1.1
93.07014	0.9
94.44547	0.6
95.04978	6.4
96.04504	1.0
97.02882	1.1
97.06549	4.6
98.06038	0.9
98.12866	0.6
98.97550	0.7
101.02381	2.3
107.04942	1.4
109.40192	0.7
111.00819	1.0
111.04463	1.2
112.07610	11.1
116.07081	1.7
116.98606	0.8
121.02876	4.1
122.06051	1.5
123.04459	4.0
124.07607	1.7
127.03910	4.7
130.00513	0.6
136.07594	0.9
137.02335	1.9
140.07074	71.9
141.05464	2.1
141.10222	1.4
147.04390	1.5
151.90004	0.6
153.01880	4.1
157.06418	0.9
161.05907	1.2
164.07101	0.9
165.01810	1.1
166.07368	1.6
168.06572	100.0
173.09253	1.3
185.09225	3.4
194.06955	1.3
207.03487	1.0
210.06787	0.7
211.07143	1.2
211.10841	1.5
213.05508	1.7
222.06282	1.1
226.09393	3.8
240.08676	12.5
241.05144	1.0
254.08958	5.2
255.05211	0.6
258.05276	1.2
286.04550	0.8
286.09384	3.2
286.11899	2.2
287.05521	44.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.2214
Annotation	3-Oxo-abieta-8,11,13-triene
Peak:m/z	Relative Intensity
55.05516	0.9
57.07065	1.0
67.05488	1.8
67.35359	0.7
69.07060	2.2
70.62982	0.6
71.07433	1.7
77.03376	0.7
79.05481	1.3
81.07059	2.1
83.08633	0.8
88.07585	0.7
91.05466	1.8
93.07041	1.0
95.08601	2.4
102.95237	0.7
105.07027	2.6
107.08572	1.4
109.10164	1.7
117.06982	1.6
119.08584	4.9
119.48776	0.7
121.10152	1.1
129.07033	1.0
130.07797	1.2
131.08592	1.6
133.10162	4.1
143.08528	1.0
145.10146	5.1
147.11697	100.0
148.12024	0.9
150.73022	0.7
157.10072	1.6
159.11691	3.1
169.10150	1.1
171.11711	1.8
173.13280	2.2
183.11766	1.4
184.12517	1.0
185.13242	2.4
196.12489	0.9
197.13286	2.5
199.14827	2.1
236.08380	0.8
237.16466	1.9
252.18857	1.6
267.21255	2.1
285.18719	1.6
285.22128	20.8
285.25336	1.8
285.29825	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1698
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94899	1.8
51.70673	1.7
53.03941	4.7
55.01860	4.3
55.05514	28.4
57.03441	55.1
57.07076	2.7
59.05004	2.8
62.09368	1.9
62.45168	1.8
63.34122	1.6
65.03937	2.8
67.05508	40.5
69.03429	7.0
69.07076	13.3
70.52518	1.6
71.04990	13.0
73.56279	1.6
73.65137	1.6
79.05497	38.5
81.03423	93.3
81.07059	54.9
83.04990	18.7
83.08624	39.9
85.02908	95.9
85.06537	4.3
91.05487	52.4
93.07049	27.9
95.04975	42.6
95.08604	19.4
97.02908	4.5
97.06541	10.0
97.10170	4.7
98.98462	2.6
99.08076	2.6
103.38383	1.8
105.07043	42.5
107.04965	6.1
107.08614	13.7
109.06525	6.9
109.10168	8.0
111.04469	4.7
111.08099	21.2
113.06028	6.6
115.05426	3.0
117.06963	3.0
119.08595	32.8
121.06499	4.2
121.10154	22.1
123.08078	5.6
123.11719	6.2
129.07002	14.7
131.08563	14.1
131.10159	1.9
133.06471	4.0
133.10141	17.6
137.09654	2.9
141.07085	2.0
142.07802	3.0
145.10110	3.0
147.08128	2.8
147.11693	30.4
149.09608	12.9
157.10136	24.7
159.11696	2.9
165.12755	6.4
171.01414	3.8
175.11198	28.9
181.06635	1.7
185.13095	2.1
193.12254	100.0
211.13309	75.0
211.15320	3.9
239.53278	1.8
253.08752	3.0
267.16080	2.2
285.16962	57.2
285.22232	5.6
285.33444	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	285.1698
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04249	1.0
51.97644	1.0
53.03940	1.7
55.01870	1.5
55.05278	1.2
55.05520	15.9
57.03201	1.1
57.03444	21.5
57.07075	2.0
59.04980	1.4
63.65467	1.2
64.20160	1.1
65.03939	1.7
67.05510	30.8
69.07073	17.5
71.01526	2.6
71.04998	5.4
75.08027	1.1
79.05502	15.3
81.07061	100.0
83.05005	7.8
83.08232	1.1
83.08633	11.3
85.06544	5.9
91.05485	23.0
93.07043	12.2
95.04951	1.7
95.08610	20.9
97.06542	7.1
99.08098	3.3
101.06004	1.3
105.07041	34.7
107.08614	10.0
109.06521	4.9
109.10167	2.2
109.46461	1.2
111.04449	1.2
111.08089	1.4
119.08589	26.7
121.10146	18.0
123.08060	4.8
123.11714	30.3
127.07547	3.1
129.06989	2.6
131.08595	1.4
133.10141	3.5
137.13272	2.3
145.10167	1.1
147.11697	71.2
148.12012	1.3
157.10124	3.8
165.12761	35.3
171.01454	2.3
175.11223	2.9
182.96396	1.1
183.13786	2.5
189.12717	1.7
193.12244	2.7
196.06683	1.3
229.14380	3.5
267.15964	3.2
285.16980	39.2
285.21976	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1698
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	6.1
55.01868	4.4
55.05515	30.5
57.03442	52.8
57.07078	3.0
59.04983	3.0
63.00045	3.5
67.05509	43.8
69.03420	3.6
69.07071	17.2
71.04987	12.8
79.05074	3.7
79.05499	45.6
81.03426	86.3
81.07059	60.0
83.04990	20.3
83.08160	3.4
83.08624	37.5
85.02913	100.0
85.06510	2.7
91.05488	55.1
93.07043	28.2
95.04983	44.6
95.08626	23.2
97.02878	6.0
97.06521	10.4
97.10184	2.8
99.08024	2.5
100.98881	2.6
105.07034	40.8
107.04951	8.3
107.08582	11.4
109.06512	8.4
109.10149	5.5
111.04439	4.9
111.08084	21.5
113.06000	7.1
115.05393	2.8
117.61531	2.5
119.08590	35.7
121.10135	15.5
123.08018	4.6
123.11694	5.8
129.07010	16.3
131.08582	22.6
133.06456	2.5
133.10127	16.8
142.07802	5.2
145.10141	3.8
147.08055	2.6
147.11693	29.9
149.09616	11.7
157.10120	28.0
160.97643	2.5
165.12740	8.0
175.11185	29.8
193.12260	99.5
194.12563	3.1
211.13287	64.8
221.66446	2.8
228.97588	2.6
253.08655	4.3
285.16931	60.7
285.22180	8.3
285.33389	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	285.1698
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66341	1.9
53.03951	6.2
53.53584	1.9
55.01862	4.5
55.05516	32.0
57.03439	61.5
57.07085	20.2
59.07452	1.8
59.37430	2.6
63.00053	2.6
65.03949	2.8
67.05511	53.1
69.03441	6.6
69.07076	19.7
69.57489	13.5
71.04994	11.3
71.08627	12.0
79.05501	46.4
81.03423	89.8
81.07062	66.6
83.04988	25.1
83.08630	41.1
85.02909	88.3
85.06537	4.4
85.10188	5.3
89.06027	2.5
91.05489	56.5
93.07046	30.6
95.04978	43.1
95.08616	32.1
97.02888	5.1
97.06522	6.6
97.10168	7.0
98.20770	2.0
98.98424	2.1
105.07047	43.3
107.04958	6.3
107.08608	18.3
109.06529	10.2
109.10156	11.5
111.04447	3.7
111.08094	21.3
113.06017	5.8
115.05463	3.2
117.06995	2.8
119.08590	36.6
121.06536	3.3
121.10158	19.5
123.08092	5.7
123.11711	9.3
129.07024	19.8
129.50052	1.8
131.08578	20.7
133.06514	5.4
133.10132	20.0
135.11749	2.3
137.09581	1.9
142.07767	3.4
145.10153	4.0
147.08037	5.6
147.11687	36.8
149.09654	10.5
157.10147	23.3
159.11780	1.9
163.11198	2.1
165.12758	8.9
169.10245	2.0
175.11186	33.1
193.12254	100.0
211.13309	69.0
211.20599	4.2
221.06215	2.0
229.21748	3.2
253.08542	3.5
272.60574	2.1
285.12195	2.5
285.16953	58.5
285.24393	25.3
285.29453	3.7
285.33173	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1699
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48090	0.8
52.71617	0.7
53.03963	0.8
55.01886	1.7
55.05521	14.3
56.23469	0.9
57.03449	19.7
57.07074	1.8
65.03948	1.3
67.05516	32.4
69.06734	1.3
69.07080	19.0
71.05006	6.6
71.16195	1.0
73.06561	0.8
75.19415	0.7
75.85333	0.8
77.65707	0.7
79.05069	1.5
79.05505	20.4
81.03413	1.0
81.07071	100.0
83.05004	9.1
83.08638	9.4
84.69494	0.8
85.02918	1.6
85.06544	5.2
91.05497	27.3
93.07059	14.8
95.04982	2.8
95.08620	19.2
95.74227	0.8
97.06562	8.7
99.04495	1.1
99.08128	3.8
101.05997	1.4
102.27244	0.7
105.07049	40.8
107.08608	11.8
109.06537	5.0
109.10143	1.9
111.08077	1.6
113.06010	1.4
115.07650	0.9
119.08604	29.1
121.09328	1.5
121.10166	20.7
123.08104	4.3
123.11729	30.0
127.07531	3.1
129.07001	2.2
131.08586	2.0
133.10147	2.1
137.13266	2.5
141.09097	1.9
145.10144	0.8
147.11711	75.8
149.09753	0.8
153.88425	0.8
157.10144	4.7
165.12782	39.2
175.11234	3.7
183.13853	4.0
193.12270	3.0
229.14389	6.0
265.63065	0.9
267.16000	4.5
285.16995	38.8
286.17545	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1703
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	1.6
57.03442	2.7
63.00031	0.7
63.23843	0.6
67.05514	2.2
69.07066	1.2
71.04993	0.7
71.51578	0.5
75.02685	1.4
77.00616	0.6
79.05501	2.3
81.03448	3.2
81.07075	3.2
83.05001	1.2
83.08624	2.0
85.02924	3.0
91.05490	2.5
93.03704	0.7
93.07059	1.6
95.04990	2.3
95.08619	1.5
105.07055	2.2
107.08601	1.0
109.06528	0.5
110.86094	0.5
111.08080	1.0
119.08582	1.6
121.01425	0.7
121.06511	0.5
121.10149	1.3
123.11749	0.8
129.06989	0.9
131.08543	0.6
133.10178	1.0
137.00865	6.4
138.98816	1.5
139.02408	0.9
145.10130	0.9
147.08104	0.9
147.11674	1.7
152.99132	1.0
153.00365	18.3
154.98277	1.6
155.01936	24.4
156.99872	4.1
157.10164	1.0
160.93700	0.5
162.04008	0.9
165.12807	0.6
171.01430	100.0
172.01375	0.9
172.99370	2.1
173.01727	0.5
175.11218	1.5
178.03543	2.2
193.12288	3.8
194.03018	6.3
197.13219	0.6
201.16423	0.6
211.13214	2.5
219.08705	1.5
221.10313	8.6
237.09787	22.6
238.09827	0.5
243.17703	0.6
244.12051	0.6
260.11380	1.9
285.16821	3.6
285.22025	3.8
285.29770	0.8
285.33658	0.7
303.18130	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	285.1701
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.9
55.01868	2.0
55.05278	1.1
55.05523	15.3
57.03448	20.1
57.07086	1.2
62.42763	0.9
63.47856	0.8
65.03937	1.5
67.05515	36.4
69.07082	18.6
71.05014	6.6
73.06567	1.2
74.63599	0.8
79.05088	1.3
79.05510	21.3
81.07072	100.0
83.04993	7.5
83.08627	9.7
85.06552	6.2
91.05497	28.4
93.07059	13.8
93.07619	1.1
95.04955	1.9
95.08066	1.6
95.08624	20.7
97.06011	1.0
97.06551	9.3
98.21549	1.7
99.04442	1.1
99.08134	4.2
101.06021	2.0
105.07050	39.8
107.08611	12.7
107.21202	0.9
109.06542	7.4
109.10180	2.3
111.08067	1.2
111.39388	0.8
118.80940	0.8
119.08600	29.9
121.10160	17.6
123.08116	4.6
123.11730	31.9
127.07568	3.1
129.07002	2.4
133.10135	3.8
133.52251	0.9
135.75841	0.8
137.09656	1.2
137.13246	3.0
142.07808	1.0
147.11713	77.1
157.10130	3.3
158.92772	0.9
165.12785	38.5
175.11183	3.4
183.13821	4.6
193.12225	2.7
211.13351	1.0
228.92502	1.0
229.14394	3.9
267.16003	3.5
272.30872	0.9
285.16983	40.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1697
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	5.2
54.54449	2.6
55.01864	6.2
55.05516	20.7
57.03185	4.2
57.03437	40.8
57.07071	7.6
60.08170	27.0
67.05244	2.6
67.05508	28.9
67.06456	3.3
69.03403	3.6
69.07058	10.8
71.04986	7.2
71.08629	5.5
71.51772	3.2
79.05153	2.8
79.05505	32.3
81.03420	62.0
81.07069	53.8
81.62017	2.8
83.04975	20.0
83.08614	32.3
83.97856	3.7
85.02909	66.9
85.06526	3.6
91.04979	4.3
91.05489	42.3
93.07056	25.7
95.04973	31.0
95.08605	18.5
97.06530	6.3
97.10150	3.8
98.98436	3.9
105.07040	32.9
107.04961	6.1
107.08588	11.0
109.06526	9.5
109.10168	7.6
111.08096	17.2
113.05992	4.2
118.05206	2.7
119.07896	3.3
119.08594	28.9
121.10161	15.4
123.08118	3.4
123.11692	7.5
129.07001	11.8
131.08571	16.0
133.06491	4.5
133.10197	14.4
137.09592	3.3
143.08452	2.9
147.11676	25.8
149.09602	10.0
157.10181	17.2
165.12766	7.0
170.01434	2.9
175.11189	21.9
193.12259	65.7
211.13295	55.0
232.30373	3.2
233.56477	2.7
250.42751	3.3
253.08614	7.5
275.81693	3.4
284.33133	33.1
285.11996	3.5
285.16904	51.2
285.22034	5.1
285.33447	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1697
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.4
55.01859	2.1
55.05513	15.9
57.03440	20.5
57.07065	1.4
65.03932	1.0
67.05509	34.2
69.07070	17.6
71.04993	5.2
79.05496	18.3
81.03394	1.2
81.07062	100.0
83.04982	8.2
83.08240	0.9
83.08629	9.2
85.02906	1.3
85.06546	6.5
86.08706	0.7
91.05487	26.5
93.07047	13.2
95.04987	3.8
95.08614	20.4
97.06522	5.8
98.98525	0.9
99.04480	1.3
99.08103	4.5
101.06021	1.2
105.07037	33.7
107.07975	1.0
107.08600	10.7
109.06558	4.1
109.10138	1.7
111.08062	1.6
111.29583	0.8
113.05948	1.1
117.07029	1.2
119.08593	24.2
121.10146	20.8
123.08082	4.1
123.11718	31.0
127.07505	3.4
129.06998	2.5
131.08575	2.5
132.91933	0.7
133.10139	2.7
135.53186	0.8
137.13268	1.7
141.09087	1.6
145.10135	1.3
147.11697	73.0
148.12015	0.9
157.10135	3.0
165.12767	37.0
175.11177	4.0
183.13768	3.1
186.96092	0.8
193.12241	2.8
202.02481	1.1
212.52171	1.2
229.14418	4.4
229.21211	0.8
267.15903	2.6
285.16928	36.8
285.22043	2.1
309.90628	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1698
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57478	0.9
53.03933	2.3
55.01861	2.4
55.05277	1.3
55.05511	15.4
57.03441	21.0
57.07064	1.0
59.04983	1.3
65.03928	1.7
67.05508	36.6
69.03425	1.3
69.07069	18.8
71.04990	8.2
71.17822	1.7
79.05492	20.0
81.03409	1.3
81.07059	100.0
83.04980	7.6
83.08625	8.4
85.06537	8.4
87.04504	1.2
91.05483	26.8
93.07044	12.9
95.04945	3.4
95.08612	20.7
97.06538	8.9
97.10172	1.2
99.08065	4.5
101.05988	2.4
105.07039	40.7
107.08596	12.6
109.06527	6.0
109.10123	3.0
111.08027	1.4
113.06024	1.8
115.05473	1.1
117.06966	1.1
119.08591	30.9
121.10151	22.6
123.08059	3.9
123.10850	1.6
123.11717	32.0
127.07538	4.2
129.07001	2.0
131.08571	1.9
133.10097	3.0
137.09608	1.2
137.13239	2.2
141.09103	2.1
145.10110	2.5
146.03668	1.5
147.11699	78.8
157.10114	4.4
159.11623	1.9
161.06012	1.3
165.06985	2.0
165.12758	40.0
165.14154	2.2
169.10188	1.4
175.11169	4.3
176.72992	0.8
182.07283	1.0
183.13791	4.1
193.06450	1.8
193.12210	3.5
210.06728	2.3
221.05988	4.1
225.09116	5.0
229.12029	1.3
229.14302	6.9
239.06960	1.0
241.76682	0.9
253.08649	8.5
267.15897	4.3
285.11707	5.9
285.16913	39.3
285.22064	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	284.2224
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.4
55.05518	17.9
57.03443	0.7
57.07078	4.5
67.05513	18.7
69.07078	29.8
69.52413	0.7
70.80355	1.8
71.08646	2.0
73.06560	0.9
73.77303	0.7
76.04012	100.0
79.05501	13.2
81.07063	15.2
83.04984	1.3
83.08630	13.5
85.06561	1.6
85.10235	1.6
86.15241	0.7
91.05492	1.8
93.07054	16.1
93.49682	0.6
95.08617	17.1
95.09176	1.3
97.06525	7.8
97.10185	8.4
105.07030	0.8
107.08611	10.4
109.10165	16.1
111.08078	3.3
111.11757	3.4
112.07642	1.3
113.09692	1.5
119.08617	0.8
121.10158	20.2
123.11716	3.5
125.09609	0.8
125.13299	1.3
135.11702	14.3
137.13249	0.7
139.11201	0.9
149.13274	4.5
158.42325	0.7
163.14885	0.9
191.17964	17.5
191.19611	1.2
193.06560	0.6
209.19014	10.2
225.09111	0.8
238.21777	2.1
246.40100	0.6
253.08669	1.0
284.22232	19.2
284.29340	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.3314
Annotation	CETRIMONIUM
Peak:m/z	Relative Intensity
51.58167	0.4
55.05491	1.0
57.03447	0.7
57.07077	5.5
58.06597	1.6
60.08167	21.6
67.05495	1.1
68.70136	0.4
69.03428	0.5
69.07072	0.7
76.64262	0.4
79.05486	0.6
81.03402	1.4
81.07046	1.3
83.04958	0.5
83.08598	0.5
85.02900	0.9
85.10164	1.0
91.05492	0.5
94.42395	0.5
95.04972	0.5
95.08598	0.4
98.20712	0.8
98.89243	0.4
105.07038	0.8
111.08028	0.4
119.08554	0.4
121.10094	0.7
133.10132	0.6
147.11815	0.5
157.10193	0.4
193.12297	1.2
211.13339	0.7
229.24796	0.6
233.71567	0.5
284.11520	0.5
284.33118	100.0
285.16812	0.6
285.33514	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1697
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.6
55.01857	2.3
55.05515	16.7
56.35230	1.8
57.03444	18.9
63.00039	5.3
67.05505	30.8
69.07069	15.4
71.04989	6.9
71.51694	3.8
79.05497	16.8
81.03381	2.2
81.07064	100.0
83.04975	7.6
83.08640	11.7
85.02897	5.4
85.06548	8.1
91.05495	32.9
93.07057	17.3
93.46721	2.5
94.22659	2.1
95.04975	7.8
95.08624	23.5
97.06554	8.1
99.08073	3.2
105.07034	37.3
107.08605	15.0
109.06528	8.6
109.10146	3.3
117.07037	2.5
119.08588	31.5
121.10139	18.6
123.08070	3.9
123.11711	29.3
127.07588	3.4
129.07120	2.0
133.10155	4.5
144.08264	2.4
147.11690	71.3
149.09653	2.3
157.10150	4.8
165.07008	3.9
165.12772	35.3
173.09866	2.1
175.11186	6.0
177.22327	2.4
182.07224	2.9
183.13881	4.1
193.06500	4.0
193.12256	3.3
193.17207	2.1
210.06779	3.2
221.06015	6.1
225.09105	8.6
227.84682	2.1
229.14323	7.5
253.08585	19.7
267.15912	3.1
275.78906	2.3
285.04147	4.2
285.07852	4.6
285.11285	7.7
285.16852	36.1
285.22134	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	285.17
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.7
54.02829	1.4
54.26977	1.5
55.05312	1.8
55.05516	16.9
57.03445	21.3
57.07069	1.7
63.00046	4.0
64.94520	1.5
67.05507	39.5
69.03432	2.0
69.07076	20.2
71.05012	7.9
71.08636	8.6
79.05510	17.8
81.03416	5.4
81.07066	100.0
83.04988	9.3
83.08616	12.1
84.08129	1.4
85.02927	3.5
85.06558	9.9
88.11288	7.8
91.05493	28.5
93.07046	20.5
95.04964	6.2
95.08618	26.3
97.02912	1.4
97.06535	6.8
97.10209	2.2
98.20712	3.6
98.98445	1.9
99.04441	1.7
99.08099	4.3
99.78288	1.8
105.07043	46.9
107.04960	2.9
107.08609	14.6
109.06520	7.1
109.10175	4.4
111.08105	3.4
113.06025	2.2
119.08591	28.9
121.10159	23.2
122.53613	1.5
123.08075	4.5
123.11720	35.4
127.07574	3.0
129.07018	2.5
131.08606	3.6
133.10127	4.0
137.13231	2.2
145.10146	3.2
147.11702	80.9
157.10133	7.4
160.97610	1.5
161.06018	2.5
165.07027	5.7
165.12781	35.3
170.15413	26.4
175.11177	3.7
182.07323	2.4
183.08078	1.5
183.11853	1.6
183.13802	4.2
184.17035	2.1
193.06517	4.5
193.12230	6.4
197.16492	1.7
198.14934	33.3
207.08034	1.9
210.06700	3.7
211.13370	1.7
212.16621	1.7
221.06061	4.1
225.09132	6.6
229.05092	1.7
229.12326	1.8
229.14362	6.3
253.08673	15.1
267.15958	4.2
285.11301	6.9
285.16940	43.6
285.22168	3.8
285.25351	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	283.1543
Annotation	Hydroxysydonic acid
Peak:m/z	Relative Intensity
52.01122	2.4
53.03941	3.2
55.01869	11.1
55.05516	39.2
56.48606	2.5
57.03436	5.6
59.05009	24.6
65.03937	6.0
67.05507	31.6
69.03436	14.0
69.07071	20.9
70.06590	3.3
71.00014	4.9
71.00329	3.3
71.05000	13.4
72.08155	3.7
79.05499	26.4
81.03436	4.5
81.07058	31.3
83.04984	54.1
83.08617	4.8
85.02915	5.7
85.06554	8.9
86.37086	3.2
91.05469	29.1
93.07056	37.9
95.05000	13.1
95.08620	42.6
97.02886	4.4
97.06530	18.1
99.04475	6.5
99.08105	4.5
101.06025	31.8
103.05505	3.2
105.07037	35.1
107.04977	22.4
107.08610	40.1
109.02927	3.6
109.06502	15.9
109.10155	20.4
111.04427	4.3
111.08107	11.1
113.06070	5.4
113.09686	3.9
117.07032	11.9
119.08590	30.5
121.06523	9.4
121.10116	15.6
123.04452	11.6
123.08086	32.5
123.11695	10.3
125.06004	18.7
125.09662	14.5
127.03862	3.2
128.06218	7.9
129.06990	4.4
131.04938	4.8
131.08586	19.8
133.06493	4.9
133.10146	33.5
135.08070	23.0
135.11691	9.4
137.05991	14.4
137.09647	17.0
139.07552	3.8
139.11211	3.3
143.08586	27.0
145.06480	7.1
145.10107	14.9
146.07262	4.6
147.08089	13.3
147.11694	8.0
149.06018	4.4
149.09647	8.9
149.13260	5.7
151.03911	9.9
151.07643	14.8
151.11179	12.9
153.09114	5.9
154.50946	2.9
155.08598	3.2
157.10135	4.8
159.08092	10.6
159.11707	11.2
161.05994	3.8
161.09634	44.1
163.07542	12.1
163.11211	8.1
165.09138	14.9
167.07062	5.4
169.08621	3.7
171.08031	14.6
173.09616	4.5
173.13200	13.3
174.06877	6.4
175.07489	3.1
177.06972	3.0
177.09109	5.9
177.12805	8.2
179.10692	35.3
181.08585	16.7
183.11681	4.3
187.11272	5.9
187.14906	4.8
189.09111	40.7
191.10701	3.8
191.14339	13.7
195.08212	4.0
195.10162	6.9
199.11389	3.2
201.12721	14.4
205.08592	3.8
205.12288	3.8
207.10168	100.0
209.08003	3.8
219.13773	24.0
223.07724	3.6
223.09645	3.6
225.05547	4.3
225.11217	20.1
229.12306	9.6
236.12009	3.1
237.09206	4.7
237.14853	19.9
240.07838	5.4
247.13391	26.7
255.10170	3.9
265.10788	5.0
265.14374	27.1
283.06717	4.2
283.09299	14.7
283.15524	20.3
283.18439	3.2
283.20090	3.8
295.64664	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	284.2224
Annotation	Tumonoic acid D
Peak:m/z	Relative Intensity
53.03947	1.2
54.99690	0.6
55.05516	16.6
57.07085	4.9
67.05513	21.6
69.07074	32.4
69.85518	3.2
71.08634	2.0
75.84902	0.6
76.04011	100.0
79.05501	14.2
79.05969	0.7
79.49269	0.7
81.07066	16.0
83.02671	0.6
83.04985	1.7
83.08627	16.0
85.06543	1.0
85.10207	1.7
87.08097	0.7
91.05498	1.9
93.07056	16.6
95.04973	0.8
95.08617	17.0
97.06551	8.8
97.10180	8.3
99.08105	1.3
105.36685	0.6
107.08609	12.7
109.10171	16.6
111.08111	3.5
111.11739	3.9
112.07622	1.8
113.09644	1.3
121.10155	24.7
123.11726	3.3
125.09610	1.4
125.13298	1.2
126.09135	0.7
135.11707	14.7
139.11179	1.3
147.11617	0.6
149.13264	3.6
191.17967	19.7
209.19029	9.7
222.75500	0.6
225.09140	0.8
238.21715	2.4
253.08665	1.2
266.21344	0.9
284.22244	23.0
284.29398	1.7
285.11374	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1542
Annotation	Hydroxysydonic acid
Peak:m/z	Relative Intensity
52.79070	4.1
53.03951	9.7
55.01888	10.0
55.05510	41.2
57.03445	7.7
57.07083	5.1
59.04997	17.8
63.89641	4.6
64.32514	4.3
65.03941	11.1
67.05511	65.0
67.91627	4.7
69.03428	21.9
69.07076	29.2
70.18395	18.6
71.01376	4.6
71.04994	16.2
79.05499	60.3
79.62679	4.7
81.03427	6.4
81.07059	61.2
83.04986	100.0
83.08649	7.1
85.06544	19.5
89.02380	4.3
91.05489	69.7
93.07053	90.3
95.04972	41.8
95.08611	53.6
97.02876	5.6
97.06527	30.4
98.20905	5.7
99.04456	6.1
101.06037	16.2
103.05484	4.2
104.59890	4.6
105.07038	84.3
107.04961	29.5
107.08614	57.7
109.06524	43.1
109.10154	26.6
111.04474	8.2
111.08095	13.9
113.06037	6.2
115.05442	9.1
117.07042	22.9
119.04995	10.7
119.08592	55.5
121.02876	10.0
121.06487	30.4
121.10161	15.8
123.04435	30.6
123.05233	4.5
123.08068	49.2
125.06026	22.2
125.09626	15.6
128.06224	15.5
129.07028	23.5
130.07816	7.3
131.04918	7.7
131.08578	72.1
133.06477	20.0
133.10127	42.2
135.04419	6.2
135.08095	38.9
135.11705	10.7
137.06027	22.3
137.09589	22.8
139.07558	6.2
141.05473	6.1
141.07005	11.9
141.09126	6.9
142.07788	6.8
143.08554	38.1
144.05640	5.6
144.09402	6.7
145.06537	11.0
145.10103	30.9
147.08015	29.1
147.11693	13.8
149.06024	14.5
149.09615	54.4
151.03900	8.0
151.07573	16.3
151.11209	7.7
153.06990	7.2
153.09128	8.0
155.08569	10.4
157.10182	5.4
159.08083	32.1
159.11670	21.2
161.09619	52.8
161.13245	11.8
163.07567	18.9
163.11206	12.2
165.05640	5.5
165.09158	10.9
167.07053	15.3
168.09285	9.2
169.09961	5.5
171.08101	18.4
171.11703	13.1
173.09596	9.5
173.13249	31.2
175.11215	6.7
177.05507	7.6
177.09120	48.6
177.12727	8.1
179.10681	14.8
181.05026	5.6
181.08617	16.6
183.11755	15.4
186.10417	6.6
187.07654	5.7
187.11203	13.9
189.09146	28.5
189.12711	42.9
191.07011	8.1
195.08167	7.4
199.11237	12.5
201.12802	38.8
201.16557	5.8
203.14365	6.5
205.08638	8.0
207.10173	49.7
209.08075	8.3
209.15256	5.8
217.12328	10.4
219.13811	41.8
223.09666	8.5
229.12303	19.4
235.13312	22.8
237.14842	10.8
240.07814	6.4
247.13310	42.7
265.14423	42.7
283.06766	5.1
283.09775	14.3
283.15579	26.0
283.20840	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	283.1542
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	3.2
55.01872	5.3
55.05517	13.8
57.03438	12.3
57.07080	3.7
62.92157	1.7
67.05509	27.8
69.03461	1.6
69.07076	9.5
69.97173	6.6
71.05006	5.5
79.05499	33.5
81.03432	2.8
81.07068	23.0
82.71970	1.8
83.04978	6.3
83.08635	10.7
89.06040	10.5
91.05479	12.2
93.07053	43.0
95.04982	10.6
95.08615	41.8
97.02908	4.6
97.06533	5.6
98.21088	3.3
99.04460	5.8
101.56121	1.7
105.07027	13.4
107.04963	9.9
107.08612	28.7
109.10160	5.4
111.04440	2.2
117.07038	10.1
119.08614	10.8
121.06522	7.1
121.10160	16.0
125.06020	4.3
129.07065	2.2
130.07753	3.7
131.08624	2.7
133.08615	5.2
133.10138	5.2
135.08102	3.9
135.11703	55.3
143.08545	2.0
145.10143	32.3
151.11038	1.9
157.10085	2.0
159.11664	2.1
163.11197	72.9
163.12566	3.9
181.12268	16.7
195.85312	1.7
209.11664	4.3
227.12808	100.0
283.15353	21.4
283.20511	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	283.1542
Annotation	Hydroxysydonic acid
Peak:m/z	Relative Intensity
53.03942	7.4
55.01869	8.9
55.05516	56.2
55.47567	3.5
57.03437	6.7
59.05003	26.5
65.03919	7.6
67.05520	36.7
69.03429	14.1
69.07077	7.3
70.06583	5.2
71.05003	8.1
71.51514	4.8
72.08153	11.5
79.05490	24.8
81.03413	8.3
81.07067	24.5
81.95554	3.3
83.04990	98.4
85.02915	5.6
85.06553	11.1
89.06054	8.0
91.03705	3.6
91.05480	30.6
93.07043	27.7
95.04971	11.9
95.08610	35.3
97.02879	6.7
97.06529	11.6
97.54511	3.8
99.04460	8.7
101.06028	55.9
103.05479	5.7
105.03326	4.1
105.07034	46.2
107.04957	22.5
107.08601	28.9
109.06554	20.0
109.10144	24.9
111.08084	12.5
113.06007	6.8
115.05473	11.7
117.07035	9.3
119.04939	4.3
119.08610	38.5
121.02901	7.0
121.06528	18.6
121.10158	11.7
122.00306	3.6
123.04443	11.0
123.08103	23.8
125.06012	26.0
125.09631	20.1
128.06215	7.5
131.04951	9.1
131.07765	4.3
131.08592	28.4
133.06522	8.7
133.10133	44.2
135.08078	24.3
137.05965	18.7
137.09590	23.9
139.07521	4.4
140.07033	3.4
143.08549	23.0
145.06488	8.9
145.10159	12.4
146.07291	7.4
147.04480	7.4
147.08078	17.0
147.11635	4.4
149.05988	6.3
149.09650	11.7
151.03964	10.4
151.07549	13.4
151.11208	13.3
153.05507	5.7
153.06853	4.7
153.09084	4.5
157.10068	6.0
159.08083	7.7
159.11725	10.3
161.09630	62.3
163.07599	10.9
163.11108	5.1
165.06958	5.0
165.09113	24.2
169.09956	4.0
171.08093	15.5
173.05984	7.6
173.09657	6.0
173.13278	15.6
174.06831	4.6
175.07573	8.2
175.11177	6.9
177.05446	4.6
177.09140	11.4
177.12804	8.7
178.08652	8.5
179.07198	4.1
179.10699	46.5
181.05009	50.4
181.06593	5.7
181.08626	13.0
183.11700	4.2
187.07553	5.9
187.11134	7.2
189.09119	51.4
191.06978	4.5
191.14328	12.5
195.08127	8.9
197.11604	5.0
201.12784	14.0
201.16431	4.5
203.14400	6.3
206.08156	16.8
207.10194	100.0
209.08101	10.4
219.06490	4.8
219.13867	30.7
223.07689	8.6
225.11206	35.1
229.12265	5.9
231.01401	3.9
237.14857	42.0
240.07915	5.7
247.13312	16.1
251.07086	5.1
253.10747	42.6
254.21579	5.0
265.10858	28.3
265.14261	22.6
271.06873	4.5
283.06287	5.7
283.09616	24.2
283.11935	20.4
283.15439	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	282.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	2.3
55.01869	1.8
55.05511	1.6
56.96568	17.0
57.03428	7.7
61.02930	9.6
68.71804	1.5
69.03436	22.4
70.03472	7.5
70.98134	1.8
71.01361	6.8
71.04994	4.0
72.08156	6.4
72.30498	1.6
73.02916	6.2
78.40281	1.5
79.05505	2.1
81.03425	7.2
83.04987	2.0
84.04478	1.7
84.08153	2.6
84.96021	3.4
85.02914	100.0
85.06558	19.4
87.04496	4.7
91.03983	2.4
91.05491	4.4
97.02901	26.1
98.97591	51.7
98.98216	3.6
99.04456	3.7
99.97928	5.4
101.00914	2.0
101.02401	1.7
103.07590	3.1
109.02865	7.9
110.97592	9.3
110.98245	1.5
115.03997	2.6
116.98629	12.4
117.99007	3.0
119.01859	2.0
119.08566	1.7
120.08137	3.2
121.02900	4.4
121.08441	3.0
123.04487	2.7
124.99125	2.8
125.01718	1.7
127.03931	20.2
128.98637	3.7
129.01917	1.8
131.00233	2.3
133.02795	1.7
134.40068	1.4
134.99651	3.9
136.06239	2.4
136.07599	2.1
143.00191	3.2
145.04971	35.6
146.99678	2.1
147.11720	2.0
150.07803	3.4
155.00075	1.5
158.99663	5.2
159.01289	1.6
161.01239	3.0
161.02834	2.2
162.01584	2.0
163.06041	9.8
167.07114	2.6
170.99646	1.8
177.00803	3.9
179.02307	6.1
180.02563	2.4
189.00732	2.1
192.04648	2.3
195.11409	1.8
198.03535	2.2
219.01746	7.3
222.03529	2.2
223.05432	4.7
229.10715	3.0
237.02890	4.9
239.04384	5.6
240.04742	9.5
262.03247	1.8
279.07599	3.2
282.05847	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	283.1541
Annotation	Hydroxysydonic acid
Peak:m/z	Relative Intensity
51.75434	1.9
53.03942	3.0
55.01865	7.5
55.05515	44.2
55.54776	2.6
56.15858	2.4
57.03425	3.5
59.05005	24.0
67.05502	19.6
68.99769	2.7
69.03418	10.0
69.07061	13.0
69.16196	25.9
71.04986	6.3
72.08131	3.6
79.05485	17.7
79.65882	2.7
81.07053	17.6
83.04493	4.4
83.04984	80.0
85.02888	2.6
85.06542	8.0
91.05468	20.9
92.94901	2.4
93.07043	22.7
93.95810	2.4
95.04977	13.6
95.08601	19.1
97.02855	3.5
97.06516	9.7
99.04455	8.1
101.06026	57.9
103.05477	3.5
105.07029	27.3
106.03017	2.8
107.04963	23.8
107.08589	31.0
109.06511	17.0
109.10157	21.8
111.08089	10.4
112.31895	3.1
113.05967	5.4
117.06977	7.2
119.08591	35.4
121.02905	3.6
121.06495	14.1
121.10143	11.8
123.04411	8.2
123.08070	25.0
123.11662	3.4
125.05991	26.1
125.09637	13.8
128.06207	9.1
129.05489	2.6
129.07002	4.6
130.07797	4.0
131.08543	18.4
133.06502	6.5
133.10127	37.0
135.08054	22.2
135.11708	5.9
137.05986	22.9
137.09621	22.8
139.07483	3.4
141.07014	2.8
141.47862	2.6
142.07848	2.7
143.08560	23.4
145.06483	5.2
145.10135	11.1
146.07257	4.5
147.08078	12.3
149.06111	3.2
149.09630	6.5
149.13243	5.0
151.03882	12.2
151.07555	11.0
151.10141	3.1
151.11186	17.5
153.09111	4.1
158.10843	3.2
159.08044	6.0
159.11719	9.8
159.50410	3.1
161.06038	3.0
161.09621	59.9
163.07532	12.2
163.11176	4.0
165.09102	18.5
167.07016	7.8
171.08046	9.5
173.09654	4.0
173.13290	17.4
174.06784	4.0
175.11215	6.5
175.14291	2.9
177.09103	9.7
177.12776	6.1
179.10669	38.0
181.04938	5.4
181.08615	10.2
182.97072	2.5
183.11726	3.0
189.09126	41.3
191.14296	14.7
193.04884	3.6
195.08038	3.3
197.11716	5.2
201.05481	3.4
201.12735	9.8
203.14156	3.0
207.10165	100.0
207.12093	5.3
209.08040	8.2
209.15364	4.7
211.11115	2.8
219.06519	4.6
219.13809	20.1
225.11201	24.7
229.12263	7.6
235.13271	3.2
237.14848	41.0
240.07864	3.5
247.13315	13.9
265.10733	3.5
265.14362	18.7
283.09464	3.2
283.15417	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	281.0547
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96571	10.4
69.03428	0.7
70.71404	0.9
71.01363	1.1
73.02927	0.5
78.20114	0.4
81.51221	0.4
85.02895	1.4
85.36337	0.5
97.02892	0.5
98.97589	100.0
100.99169	1.2
110.97569	1.3
112.99149	2.9
113.00845	0.8
116.98629	19.0
119.00153	0.8
124.99128	4.3
128.98615	1.0
131.00200	4.5
131.01877	0.6
132.30965	0.4
134.99681	2.4
140.00186	0.7
143.00186	7.4
146.99643	1.2
149.01237	3.9
150.97047	0.8
155.00188	3.2
158.99689	1.8
159.01395	0.6
161.01227	14.6
161.02574	0.8
168.04578	0.5
168.98090	2.2
168.99812	0.7
173.01271	3.3
177.00735	0.8
179.02281	27.7
185.01221	0.8
186.99161	1.0
187.00903	2.7
190.81351	0.4
191.02368	1.0
194.08511	0.4
197.03346	11.3
197.05089	0.8
214.98631	0.5
221.03337	15.3
221.05466	0.8
229.01851	0.5
239.04393	54.8
257.05432	5.8
281.05463	28.1
281.07693	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1751
Annotation	Furodysinin hydroperoxide
Peak:m/z	Relative Intensity
51.02372	1.9
52.63562	1.4
53.03953	9.3
55.01874	7.5
55.05514	36.2
57.03442	26.5
57.07076	4.5
59.04991	1.9
65.03947	5.8
65.45559	1.6
67.05511	86.6
69.03426	7.5
69.07074	19.6
71.04998	5.9
71.08627	2.3
73.06557	2.5
73.10661	1.3
75.67362	1.5
79.05501	100.0
81.03435	15.8
81.07064	73.1
83.04993	35.6
83.08628	9.9
85.02912	3.4
85.06560	5.4
91.05489	76.6
93.07053	68.3
95.04974	31.6
95.08615	56.4
97.02901	1.5
97.06515	9.4
97.10178	6.3
98.21520	3.5
98.97554	2.9
99.08106	2.9
105.03412	1.7
105.04549	2.8
105.07043	51.8
107.04987	10.2
107.08603	27.4
109.06540	13.8
109.10162	11.2
111.08105	4.0
112.02602	1.6
113.06042	1.5
115.05458	3.8
117.07013	12.4
119.04993	2.1
119.08589	36.6
121.06507	5.3
121.10157	10.8
123.08064	8.8
123.11720	3.3
127.07569	2.5
128.06219	4.0
129.07024	17.0
131.04924	1.8
131.08566	7.5
133.10139	17.9
135.08134	3.5
135.11719	4.6
137.05943	1.4
137.09695	1.4
139.07617	2.4
141.01817	1.4
141.09099	1.7
142.07832	1.9
143.08577	10.6
145.10143	13.9
147.08109	6.8
147.11707	34.6
149.02344	1.6
149.09650	3.7
149.13260	2.6
149.51494	1.5
151.07603	2.1
155.08554	1.8
156.09317	2.5
157.10118	3.1
159.11703	4.0
161.09583	7.7
161.13266	15.0
167.10683	1.5
169.10118	1.9
171.11710	29.1
175.11186	2.3
178.07906	1.3
179.71523	1.5
181.10149	2.8
185.13191	1.5
187.11131	1.6
189.12810	11.1
193.10124	2.5
203.14320	2.0
207.11925	2.5
207.13777	11.5
221.13344	1.8
244.04016	2.9
245.15541	2.0
249.09065	1.7
263.16479	3.8
281.00665	7.9
281.08209	2.7
281.11642	2.8
281.17398	36.7
299.06149	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	280.2639
Annotation	linoleamide
Peak:m/z	Relative Intensity
53.03942	1.4
53.40998	0.3
55.05516	14.4
56.04760	0.4
56.05037	6.4
57.07085	3.7
58.02971	3.1
60.04527	2.6
65.03951	1.7
67.04241	0.7
67.05508	22.5
68.05020	3.9
69.07073	13.0
69.63024	0.4
71.08619	1.4
71.50177	0.5
71.50587	0.4
72.04514	1.6
73.30215	0.3
74.06092	0.6
76.77995	0.3
79.05496	13.8
80.05016	4.2
80.27558	0.3
81.03407	0.7
81.05771	0.5
81.07061	19.0
82.06580	10.0
82.07322	0.5
82.21598	0.4
83.04984	1.4
83.08619	6.4
84.08123	0.9
85.10167	0.6
86.06070	2.6
90.59907	0.3
91.04917	0.5
91.05485	7.3
92.95395	0.3
93.05792	0.5
93.07044	8.0
94.06574	4.8
95.04964	1.8
95.07347	0.8
95.08611	13.8
96.08138	2.5
97.06508	1.0
97.10160	3.1
98.06067	2.3
100.07606	2.3
105.07037	3.6
106.06586	0.5
107.08601	3.4
108.08114	1.4
109.06520	0.7
109.10159	5.4
110.09679	0.5
111.08350	0.3
111.11707	0.6
112.07623	1.3
119.08573	2.4
120.08119	0.3
121.10162	3.2
122.03127	0.4
122.09639	0.9
123.11703	1.3
126.09165	0.5
127.88417	0.4
133.10126	2.0
135.11697	2.0
136.11168	0.7
140.10701	0.5
147.11678	1.0
149.02353	3.8
149.13242	0.5
150.02699	3.5
154.08553	0.4
154.12250	0.8
161.13234	0.5
169.29199	0.3
196.72592	0.4
244.03920	0.4
245.04333	0.5
245.22699	0.6
246.03500	0.3
249.09201	0.5
250.25302	7.1
250.99519	0.4
252.26840	0.4
260.23752	0.7
262.25323	5.2
280.01312	1.1
280.26361	100.0
281.00543	0.7
281.26669	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2319
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
53.03943	1.3
55.01870	0.9
55.05512	10.0
57.03424	0.6
57.07085	2.6
59.23163	0.4
60.40808	0.5
63.10839	0.5
65.03936	2.9
66.04709	0.6
67.05506	97.0
69.07069	9.8
69.36914	1.6
69.37336	2.3
71.04983	1.6
71.08624	0.5
79.05495	14.3
81.07057	100.0
83.04996	1.2
83.08623	5.5
85.06539	1.3
91.05475	5.2
91.48367	0.5
93.07045	12.0
93.07623	0.6
95.08608	81.7
97.06532	1.9
97.10175	2.6
99.08090	0.7
100.60203	0.6
105.04541	0.5
105.07033	4.1
107.08598	9.5
109.06519	1.4
109.10157	47.3
110.10537	0.6
111.08093	0.6
111.11697	1.2
111.35286	0.5
117.07037	1.5
119.08575	4.3
121.10144	7.4
123.08060	1.0
123.11705	23.9
125.09545	0.5
127.07545	0.6
131.08597	3.6
133.10139	4.0
135.08018	1.4
135.11700	4.2
137.09602	1.7
137.13258	9.2
141.09076	0.6
145.10109	3.0
147.11696	2.3
149.02341	8.8
149.09628	1.8
149.13277	2.9
151.11177	0.8
151.14835	2.8
153.00453	0.6
159.11722	2.7
161.13254	2.0
163.11223	1.9
163.14839	1.9
165.12798	1.1
165.16443	0.6
167.10698	1.1
173.13263	2.8
175.14862	0.7
177.12766	1.5
177.16415	1.0
179.14255	0.7
181.12265	1.3
187.14874	2.6
191.14264	0.9
195.13789	2.0
201.16412	1.0
205.15926	0.8
209.15437	3.2
219.21095	0.6
223.16942	4.0
234.23570	0.5
237.18579	1.4
239.37741	0.5
243.21138	3.3
244.03938	0.7
261.22183	3.5
279.00839	1.3
279.09521	0.6
279.19708	2.6
279.23184	36.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2323
Annotation	Gorlic acid
Peak:m/z	Relative Intensity
50.48286	0.4
53.03957	0.9
55.01888	0.6
55.05265	0.8
55.05519	9.5
55.30025	0.4
57.07088	4.7
65.03970	2.4
67.05516	98.7
68.71649	0.5
69.03439	0.6
69.07079	10.0
71.05000	1.8
71.24479	1.0
75.33269	0.5
79.05066	1.0
79.05502	13.6
79.82127	0.4
81.07069	100.0
82.07379	0.7
83.05005	1.2
83.08627	4.3
85.06543	1.0
85.24416	0.5
91.05482	5.0
93.07057	12.7
95.04987	0.9
95.08621	78.8
97.06533	0.9
97.10184	3.4
99.08083	0.6
105.07056	4.4
107.08617	9.7
109.06576	0.9
109.10174	43.1
110.10506	0.6
111.08144	0.7
111.11753	1.0
117.07059	1.8
119.08591	3.9
121.02919	1.3
121.10159	7.2
123.08123	1.5
123.11729	24.3
125.09688	0.6
127.07591	0.8
131.08606	3.5
133.10136	3.8
135.08101	0.8
135.11728	5.0
137.09654	0.9
137.13284	8.4
139.11147	0.6
141.09047	0.8
142.30519	0.5
145.10152	3.2
147.11751	2.9
149.01173	1.0
149.02367	20.0
149.09679	1.5
149.13321	2.4
151.11217	0.8
151.14830	3.9
153.09183	0.9
159.11710	3.0
161.13310	1.5
163.11227	2.5
163.14853	2.2
165.12833	1.1
167.10698	1.2
173.13316	3.6
177.12764	1.2
177.16417	0.9
179.14264	1.0
181.12242	1.4
187.14795	2.5
191.14343	1.3
195.13835	2.5
201.16479	0.6
205.15904	1.1
209.15388	2.2
219.21342	0.5
223.16988	3.0
237.18454	1.3
243.21004	2.4
244.04074	0.9
261.22226	3.7
279.00897	2.2
279.09158	1.3
279.19852	2.4
279.23230	35.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2324
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
53.03938	1.5
55.05312	0.7
55.05519	8.2
57.07074	2.7
65.03930	2.3
67.05517	100.0
67.11626	0.8
68.05833	1.0
69.07076	8.3
69.31315	7.0
71.08620	0.9
79.05507	10.9
81.07071	97.2
83.08630	4.4
85.06574	1.3
91.05504	3.4
93.07059	8.7
95.08623	67.3
97.06510	1.9
97.10162	2.0
105.07053	1.9
107.08639	5.8
109.06512	1.0
109.10177	41.7
111.11666	0.9
116.88703	0.7
119.08586	1.8
121.10185	5.0
121.10913	0.9
123.11726	23.5
131.08585	3.2
133.10159	2.0
135.11694	3.1
137.13300	8.9
145.10135	2.5
147.11707	1.6
149.02371	7.8
149.09529	1.5
149.13300	2.4
151.14848	1.8
159.11662	2.7
161.13249	1.6
163.14905	1.3
165.12787	1.0
173.13281	2.8
177.12833	0.9
179.14238	1.3
181.12216	0.9
187.14932	1.9
191.14439	1.5
195.13818	1.3
209.15366	2.2
223.17029	1.5
228.53981	0.9
237.18416	1.1
243.21095	1.9
261.22189	3.9
279.09436	1.1
279.23227	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	279.1705
Annotation	H-Ile-Phe-OH
Peak:m/z	Relative Intensity
50.30030	0.5
55.01880	0.5
55.05490	0.6
57.07077	2.0
65.03941	0.7
67.05492	1.1
69.07069	1.5
70.40919	1.5
70.51280	0.4
71.05005	0.5
79.05495	1.0
81.07059	1.5
86.09711	100.0
91.05476	1.3
93.07055	1.9
94.06564	0.6
95.04995	1.2
95.08616	1.0
103.05476	3.4
105.07042	1.1
106.92350	0.5
107.04956	0.8
107.08613	1.0
117.07029	0.5
119.08598	0.8
120.08115	63.1
121.02897	0.7
121.10173	0.7
123.08128	0.6
124.07623	0.9
131.08588	0.7
132.10228	0.7
133.06514	0.9
133.10120	0.7
136.07599	3.5
138.09135	2.2
141.01851	0.5
142.08655	0.6
145.06497	0.6
145.10081	0.7
149.02361	13.0
149.06036	0.5
154.08678	3.5
162.07925	0.8
163.07483	0.5
166.08647	9.5
167.03241	0.5
191.08395	0.8
205.09811	0.6
207.15495	0.4
215.10544	0.6
219.08012	0.5
221.08232	0.6
229.13281	0.6
233.09314	0.8
233.16478	1.3
244.04263	0.6
261.15039	0.7
267.27808	0.4
279.00873	1.9
279.10083	1.1
279.13211	0.5
279.17096	5.6
291.12485	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	278.1025
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.8
69.35191	1.2
69.35616	1.5
75.40540	0.3
77.03930	0.7
88.04002	0.5
95.04985	1.2
100.11246	0.8
101.11600	0.4
102.05533	0.9
103.05476	44.5
104.05846	0.4
108.92588	0.3
128.16217	0.3
130.05028	0.4
131.04939	100.0
132.05261	1.0
141.79153	0.3
146.44493	0.4
278.09207	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.0563
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96298	0.7
56.96566	10.2
62.88626	0.4
69.03437	0.8
70.17524	1.5
71.95255	1.3
74.93220	0.4
81.03452	0.9
82.99863	1.2
84.08148	0.7
84.96038	1.9
94.13661	0.4
97.02911	0.8
97.96801	0.5
98.97590	100.0
99.97914	0.6
101.00881	12.2
107.88898	0.3
110.97572	4.4
112.99142	1.7
113.00866	1.0
115.02469	0.5
116.00533	0.4
116.98630	28.3
119.01930	13.7
121.01661	0.6
124.99121	4.1
125.01021	0.5
127.02477	0.6
128.98604	2.9
131.00191	1.1
131.01901	1.9
132.98068	0.6
133.03461	0.9
134.99658	5.0
136.99120	0.6
137.02965	1.3
140.00179	0.7
140.98561	2.0
142.66803	0.4
143.00185	6.5
143.01900	9.8
145.03526	0.7
146.99603	0.7
153.53328	0.6
155.02003	0.4
157.03535	1.8
158.99672	41.0
161.01270	2.4
161.02977	17.5
161.04349	0.6
170.99654	1.3
171.01236	0.7
173.01485	0.8
173.02994	2.7
175.04602	0.9
177.00746	31.2
177.02412	3.2
178.01370	0.4
179.99449	0.4
182.99863	0.5
185.02998	0.9
189.00751	1.9
189.02518	1.5
191.02397	0.6
191.03961	1.9
195.00136	0.7
195.01796	1.5
198.00429	0.5
198.03995	0.7
200.02298	1.0
203.04070	0.8
204.00819	0.5
204.50996	0.4
207.01788	1.0
213.04372	0.5
216.98830	0.7
219.01773	8.1
219.03688	0.6
220.01961	0.5
223.06612	1.2
225.01091	0.4
225.06522	0.4
226.56592	0.4
227.99644	0.4
230.94545	0.5
231.00313	0.5
233.05136	2.2
237.02826	24.3
243.00301	0.6
244.04089	0.5
245.55202	0.5
252.00838	1.3
254.94199	0.7
255.03886	13.8
255.96272	1.2
258.00452	0.8
261.01703	0.8
261.04651	2.9
272.95309	1.0
273.05020	0.4
279.00558	0.7
279.03976	7.6
279.06244	2.1
279.09390	1.5
296.98090	0.4
297.04776	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	277.9495
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96569	3.1
57.23838	0.5
69.30833	0.4
70.47922	1.0
71.95263	0.7
72.66605	0.5
97.02908	1.0
98.97587	13.6
101.00867	1.2
103.00604	0.5
114.95532	0.8
116.98629	6.6
119.01926	2.7
119.41716	0.4
120.02021	0.6
128.49538	0.7
132.96637	0.7
134.99644	1.4
137.02994	0.5
137.50043	0.5
140.00285	0.7
142.03496	1.2
146.89114	0.5
156.96603	1.5
157.03471	0.5
162.03078	0.5
174.97636	6.6
176.90166	2.3
177.00980	0.9
178.99615	0.9
192.98685	2.0
194.91223	13.5
197.00685	1.6
205.95087	0.6
208.99846	0.5
209.90018	0.6
212.92265	22.5
215.01726	0.5
216.98671	0.6
218.91214	2.0
219.02721	0.9
227.91092	1.5
230.93324	10.4
234.99745	0.8
236.92264	9.4
237.03596	0.7
238.95569	0.6
245.92293	1.8
246.93057	0.4
248.94429	1.8
254.93330	49.4
255.43706	0.6
255.93503	0.6
256.96762	1.1
258.95056	1.4
259.28262	1.4
259.61453	1.8
260.27942	0.7
260.61539	0.7
263.93954	2.3
264.95325	0.7
265.28464	0.6
267.28778	0.8
267.95374	0.7
272.94397	100.0
273.41467	0.7
273.44601	0.5
273.94543	2.0
274.92255	0.6
277.95041	2.2
278.07861	1.3
283.92847	0.6
290.95441	38.0
295.95978	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	277.2163
Annotation	6Z,8E,10E,12Z-Octadecatetraenoic acid
Peak:m/z	Relative Intensity
53.03942	4.3
55.01867	4.9
55.05512	27.7
57.03440	3.7
57.07081	14.5
59.05001	4.7
65.03925	4.7
67.05508	48.8
69.03424	22.9
69.06779	2.8
69.07076	30.0
69.86891	6.6
69.87277	6.7
71.04978	14.7
79.05156	2.8
79.05505	37.0
81.03409	8.0
81.07063	83.0
83.04980	21.4
83.08623	17.2
85.02908	4.8
85.06552	20.7
91.05495	24.1
93.07043	77.6
95.04954	15.3
95.08605	62.7
97.06536	11.6
97.10145	5.4
99.04477	3.4
99.08126	3.9
103.05467	5.6
105.04533	3.3
105.07038	42.8
107.04940	3.4
107.07892	5.3
107.08600	63.5
108.05753	3.0
109.06519	23.0
109.09471	5.3
109.10164	59.3
111.08102	21.4
113.09649	23.7
116.50819	3.1
117.07015	8.3
119.08592	42.5
121.06524	9.3
121.10149	76.6
122.07310	3.7
123.08070	16.8
123.11699	34.0
125.09622	14.1
129.06979	4.9
131.04919	13.2
131.08620	18.6
133.10144	54.6
135.08078	11.1
135.11703	43.6
137.09631	30.9
139.11194	16.2
143.08501	6.2
145.10144	15.8
147.04414	9.1
147.08035	3.9
147.11743	19.5
149.02351	51.7
149.09625	21.0
149.13248	20.9
151.11185	55.8
157.10107	9.7
159.11700	16.0
161.09612	7.1
161.13287	20.3
163.11179	7.5
165.12766	8.2
171.11676	9.3
173.13306	5.7
175.11180	7.1
175.14824	40.9
179.08594	5.0
185.13234	15.1
189.12836	7.8
189.16310	3.4
191.14366	3.2
193.10155	3.6
193.15846	10.0
199.14890	6.4
201.16403	12.7
203.08516	3.8
203.14317	11.2
207.13905	3.3
212.09343	2.9
217.15872	5.1
219.17369	4.0
231.08043	4.2
235.07518	9.0
235.16920	4.4
241.15852	3.3
241.19481	9.1
249.09070	3.8
259.20654	27.1
277.08612	10.3
277.18375	7.8
277.21634	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2167
Annotation	coniferonic acid
Peak:m/z	Relative Intensity
53.03947	6.5
55.05281	0.9
55.05519	16.1
55.59855	0.7
57.07067	2.5
65.03933	1.2
67.05513	30.8
69.07077	16.1
71.04983	0.9
71.24628	1.6
77.03944	1.4
78.53805	0.9
79.05502	72.8
81.07064	34.2
83.04985	1.5
83.08630	6.5
85.06529	2.4
89.15265	0.8
91.05491	31.0
93.07055	100.0
95.04972	4.3
95.08618	24.2
97.06519	2.1
97.10202	4.1
99.18561	0.8
101.06078	1.0
103.05403	0.8
105.04558	2.0
105.07047	12.2
107.08607	48.6
109.06546	1.6
109.10170	13.7
117.07023	3.6
119.08609	12.3
121.10158	41.0
123.11741	2.0
129.07028	1.7
131.08574	3.6
133.10138	14.0
135.08057	1.4
135.11707	60.0
141.59995	0.8
143.08560	2.2
145.10126	3.2
147.11736	7.5
149.09634	1.7
149.13281	26.7
157.10121	1.8
159.11713	3.1
161.13290	3.7
163.11157	1.5
163.14825	6.8
167.10692	1.0
171.11717	1.9
173.13278	2.2
175.11235	1.3
175.14854	2.0
177.12843	1.2
177.16351	0.9
181.12265	1.4
185.13309	2.1
187.47601	0.8
189.12685	1.1
195.13791	2.1
199.14836	1.4
207.13806	1.7
209.15363	1.0
213.16428	1.7
217.15939	1.2
221.15331	3.7
233.90428	0.7
235.16928	4.4
241.19453	3.2
259.20584	4.8
277.21652	64.0
278.21863	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2165
Annotation	Stearidonic acid
Peak:m/z	Relative Intensity
53.03939	4.2
55.05267	2.0
55.05515	22.7
57.07064	5.1
59.05001	3.6
65.03951	2.3
67.05507	21.5
68.44608	1.4
69.03434	14.9
69.07071	14.4
70.91258	3.8
70.93230	1.7
71.05004	9.8
75.14291	1.3
79.05492	19.7
81.03416	6.2
81.07059	43.6
83.04974	13.9
83.08611	8.3
85.06544	13.0
91.05481	13.1
93.06488	2.4
93.07053	41.0
95.04964	4.7
95.08613	31.3
97.06520	6.6
97.10193	3.5
103.05394	1.5
105.07026	21.5
107.08601	36.3
108.05704	1.7
109.06527	16.2
109.10160	36.4
111.08092	10.7
113.09644	15.3
117.07016	3.9
119.08594	26.7
121.02874	4.3
121.06498	3.0
121.10152	47.3
122.07307	2.4
123.08057	7.7
123.11707	17.2
125.09586	7.7
131.04880	1.7
131.08566	7.8
132.64038	1.5
133.06522	2.0
133.10149	25.7
135.08047	5.5
135.11696	25.6
137.09630	15.9
139.11214	7.4
143.08551	2.0
145.10141	11.1
147.08046	3.7
147.11693	14.1
149.02348	100.0
149.09645	10.1
149.13257	12.0
151.11198	40.1
157.10149	5.7
159.11734	9.8
161.09599	3.7
161.13306	9.7
163.11192	2.7
163.14807	2.1
165.12788	5.6
167.14226	1.9
171.11691	3.4
173.13239	3.4
175.11229	4.1
175.14842	23.2
177.12802	1.6
179.14249	2.0
185.13290	7.1
189.12717	5.4
193.15892	6.9
199.14861	3.7
201.16409	11.5
203.07224	2.3
203.14258	8.0
215.18060	2.0
217.15924	1.7
217.19588	2.8
219.17436	4.5
231.21057	1.8
241.19551	8.6
259.20627	16.0
277.21640	77.3
281.36884	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2164
Annotation	6Z,8E,10E,12Z-Octadecatetraenoic acid
Peak:m/z	Relative Intensity
53.03935	6.1
55.01859	3.7
55.05513	22.7
57.03437	8.2
57.07065	3.9
60.66503	1.5
65.03924	3.0
67.05184	2.5
67.05509	35.3
69.07075	17.6
70.95976	4.1
71.04992	3.2
79.05497	71.2
81.06599	3.0
81.07062	51.7
83.04999	2.4
83.08620	11.3
85.06536	3.8
91.05486	33.1
93.07047	100.0
95.04958	6.6
95.08613	40.0
97.06528	2.8
97.10154	6.0
99.08090	2.4
105.07035	22.4
107.08598	59.9
109.06520	6.0
109.10162	13.9
111.08071	3.9
116.57799	2.1
117.07018	6.2
119.08595	16.8
121.10149	51.9
123.08111	3.3
123.11704	4.9
125.09584	2.7
129.07010	2.9
129.84758	1.5
131.08551	7.9
133.10147	17.3
135.08081	2.2
135.11699	52.5
137.05951	1.8
137.09624	4.7
137.12204	1.6
137.13223	2.2
145.10103	7.4
147.11708	9.6
147.35852	1.5
149.09587	3.5
149.13274	24.9
151.11137	3.2
157.10089	2.3
159.11729	5.9
161.13226	7.9
163.11107	2.6
163.14844	5.0
165.12762	1.7
171.11638	4.3
173.13290	3.5
175.08916	1.8
175.14819	4.0
177.12704	2.0
177.81122	1.5
179.10583	1.7
181.12193	2.5
185.13130	3.4
187.14853	6.7
195.13785	1.9
199.14775	1.8
203.14395	1.7
205.15854	4.3
207.13809	3.3
213.16313	1.9
221.15289	4.0
229.86938	1.6
231.21187	1.6
235.16998	4.4
241.19460	4.7
259.20511	10.2
271.62628	1.5
277.21634	97.2
299.42169	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.0686
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37020	9.2
60.28466	9.9
98.61736	10.9
101.00900	55.8
113.00945	15.0
119.01903	44.2
126.13391	11.3
143.01891	36.0
144.52545	11.6
155.01843	15.1
157.03474	30.2
161.02963	47.5
197.03075	12.2
208.78261	11.3
223.06615	27.1
245.05173	16.6
277.03439	24.9
277.07211	100.0
277.11514	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	277.1661
Annotation	p-Coumaroylagmatine
Peak:m/z	Relative Intensity
51.14774	0.3
54.39870	0.3
60.05657	3.7
69.69471	1.4
72.08165	10.2
89.10796	1.1
91.05483	4.7
97.07663	2.0
98.06093	0.6
98.20791	0.6
107.41362	0.3
114.09480	0.6
114.10302	20.7
115.08702	3.3
119.04954	21.9
130.06499	0.4
131.12943	4.1
147.04422	100.0
148.04765	0.5
168.07938	0.5
172.07585	0.5
186.09055	0.5
199.08601	0.5
217.13390	4.5
218.11801	4.5
227.18863	0.3
235.14476	0.9
245.09276	1.0
248.22746	0.3
260.14008	9.8
277.16620	50.1
278.16873	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1663
Annotation	p-Coumaroylagmatine
Peak:m/z	Relative Intensity
51.22914	0.3
60.05652	1.4
65.79156	0.3
69.56101	2.0
72.08165	4.9
84.48775	0.3
89.10809	0.7
91.05494	3.6
97.07660	1.5
98.06062	0.4
114.10307	14.3
115.08717	4.3
119.04958	16.2
131.12938	1.8
146.06119	0.3
147.04430	100.0
148.04790	0.6
157.10934	0.5
217.13420	4.6
218.11765	6.3
235.14510	0.8
260.13995	10.3
277.16635	44.2
278.17145	0.4
295.76874	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2164
Annotation	6Z,8E,10E,12Z-Octadecatetraenoic acid
Peak:m/z	Relative Intensity
53.03941	4.5
55.01881	2.0
55.05516	12.6
57.03445	1.4
57.07079	50.3
59.86786	0.8
65.03960	1.1
67.05508	24.5
68.05852	0.8
69.07071	11.5
70.06591	1.8
71.03343	1.9
71.04980	2.7
71.08629	1.1
79.05496	39.1
81.07059	25.2
83.04996	1.0
83.08635	7.0
84.08131	0.8
85.06530	2.0
91.05477	20.8
91.06016	1.3
92.05799	1.0
93.07050	57.6
95.04968	5.6
95.08608	20.6
97.06532	1.9
97.10174	1.9
104.24084	0.9
105.04524	1.2
105.07046	13.2
106.07405	1.8
107.04926	1.4
107.08593	33.5
109.06532	2.2
109.10151	8.9
111.08092	1.3
117.07001	1.4
119.08588	11.6
121.10152	30.5
123.04417	2.3
123.08111	2.0
123.11710	6.2
128.06215	0.9
129.07028	1.7
131.08597	4.4
133.10146	9.8
134.10443	1.1
135.08122	2.1
135.11699	26.9
136.53624	1.0
137.09647	2.5
137.13246	0.9
143.08568	2.8
145.10139	3.6
147.04399	3.2
147.11707	6.5
149.02304	1.3
149.09679	1.6
149.13281	10.6
151.11145	1.2
157.10133	2.8
159.11711	3.1
161.09630	2.0
161.13264	3.9
163.07513	1.2
163.14824	3.9
171.11705	2.4
173.13199	1.3
175.11180	1.4
175.14839	1.6
177.09117	1.4
177.12794	2.2
179.10677	28.9
189.12700	1.6
191.14206	1.0
213.16460	1.1
217.12329	1.0
217.15894	2.8
219.13947	4.5
221.15279	2.0
231.17377	1.5
235.16937	100.0
236.17345	1.0
241.19533	1.9
259.20428	3.4
277.18005	97.8
277.21536	42.7
277.28229	19.6
278.13580	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2007
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03941	2.7
55.01863	3.9
55.05519	16.8
57.03423	1.3
65.03933	1.9
66.52459	1.2
66.75374	1.0
67.05183	1.7
67.05511	26.8
69.07075	8.8
70.01487	5.3
71.04988	2.4
77.03922	1.6
79.05497	26.8
81.03397	2.1
81.07059	29.5
83.05001	3.7
83.08627	6.2
85.18681	1.3
91.05488	47.4
93.07047	23.3
95.04964	6.5
95.08612	17.6
97.06537	7.3
97.10175	3.3
103.05461	1.1
105.07038	59.6
107.04953	5.8
107.08608	15.9
109.06520	5.6
109.10143	7.5
111.08060	1.6
115.05450	1.3
117.07024	11.3
119.08586	36.1
121.06520	4.2
121.10135	11.0
123.08071	4.3
123.11739	1.3
125.09631	1.3
127.93571	1.0
129.06985	3.2
131.08571	17.1
132.09413	1.4
133.06502	1.4
133.10138	38.8
135.08067	3.6
135.11668	5.3
137.09612	4.2
141.07011	2.0
143.08568	3.5
145.10129	14.6
147.11699	22.6
149.09602	6.7
149.13234	1.6
151.11206	4.0
155.08510	1.3
157.10176	4.0
159.11710	7.8
161.09641	1.9
161.13252	6.1
163.11197	7.5
165.12770	1.6
169.10149	2.4
171.11719	2.5
173.09662	1.4
173.13274	3.8
175.11244	1.9
177.12779	1.4
179.14143	1.2
183.11714	3.4
187.11232	1.3
187.14883	1.4
193.12230	1.5
197.13290	2.8
201.12746	1.8
206.37578	1.3
213.16513	1.8
215.14352	1.5
215.18102	1.7
229.19543	3.7
239.18001	7.0
247.20679	3.0
257.19028	12.3
259.83557	1.2
275.20084	100.0
276.20410	3.2
296.71317	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	276.1081
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05033	0.7
57.07062	2.4
60.04533	4.3
67.05508	5.7
68.99809	0.7
69.07061	0.8
70.06590	0.7
70.80003	1.4
75.07421	0.6
84.08151	31.1
85.06549	39.6
87.00842	2.9
94.06564	1.4
95.04992	1.3
102.09188	40.0
112.07612	12.2
113.05970	0.8
124.09841	0.6
126.09158	1.0
130.08632	7.0
144.10207	100.0
148.09689	6.4
172.09705	3.2
190.10760	21.7
194.29720	0.7
198.07648	3.4
234.09750	3.0
240.08728	2.0
258.09723	2.4
276.10843	2.6
280.14374	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.0324
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78728	10.9
66.39016	12.2
69.03443	16.4
69.84688	46.3
70.55718	11.7
77.81039	11.5
82.99850	15.5
85.02917	17.0
85.20755	14.7
87.21730	11.1
92.50760	12.6
98.97611	36.9
101.00890	81.0
110.97576	14.6
113.00887	20.0
119.01941	71.5
143.01924	40.3
155.01900	20.7
157.03462	42.5
161.02974	53.2
173.02959	21.0
175.04565	23.3
189.02457	13.7
205.61485	12.9
219.11014	13.5
223.06683	38.4
245.05151	16.3
266.81772	15.0
277.03168	53.6
277.07507	100.0
280.00955	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	275.2008
Annotation	Dicranin
Peak:m/z	Relative Intensity
53.03944	4.1
55.01872	6.2
55.05518	24.5
65.03934	2.1
67.05177	3.0
67.05509	30.3
69.03443	2.4
69.07075	9.0
70.06599	2.1
71.04991	4.1
79.05500	41.1
81.07067	33.0
83.04980	3.9
83.08611	6.3
91.05489	42.1
93.07055	24.2
95.04967	2.2
95.08621	14.9
97.06537	5.8
97.10184	6.0
98.21511	4.8
105.07040	62.8
107.04962	20.9
107.08598	24.7
109.06502	2.5
109.10146	13.1
111.08079	2.2
117.07040	12.1
119.08604	35.2
121.10169	11.1
123.08080	3.5
123.11726	3.9
125.09620	5.7
127.06037	2.0
129.07036	3.6
131.08566	15.4
133.10146	42.3
135.08029	3.6
135.11644	2.5
143.08578	2.2
145.10133	14.6
145.11122	2.2
147.08130	2.2
147.11693	25.9
149.09648	35.3
157.10103	2.7
159.11728	11.3
161.13242	5.2
171.11629	3.3
173.11806	3.9
173.13278	5.3
183.11630	1.8
187.11290	2.8
191.10605	2.3
210.25148	2.2
228.94632	1.9
229.19565	6.1
239.18033	4.9
247.20622	2.7
257.18954	13.5
275.11102	3.9
275.20090	100.0
275.27863	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	275.2008
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03943	2.0
55.01886	1.9
55.03009	0.8
55.05268	1.3
55.05513	14.3
57.03433	1.1
57.07055	1.2
67.05177	1.3
67.05509	15.9
69.07076	8.1
69.89665	5.0
71.04987	2.6
74.29573	0.8
74.51006	0.8
79.05079	1.3
79.05505	19.5
81.07060	19.6
83.04969	2.2
83.08616	5.5
85.06573	1.6
88.07633	1.0
91.05490	47.5
93.07051	15.8
95.04984	2.3
95.08615	12.9
97.06552	1.7
97.10183	2.9
102.73911	0.8
103.05478	1.8
105.07042	68.9
107.04935	1.1
107.08606	13.3
109.06509	1.7
109.10186	5.1
117.07038	10.4
118.07857	0.9
119.08591	37.7
121.06500	1.8
121.10176	5.2
123.08080	1.0
123.11691	1.2
125.09627	1.2
127.60590	0.8
129.07045	1.8
131.08580	18.0
133.06407	1.0
133.10144	47.5
134.02908	1.1
135.08081	1.7
135.11723	3.1
137.09639	1.0
141.06989	2.0
143.08568	2.1
145.10146	16.9
147.08017	1.5
147.11700	26.7
149.09641	6.2
155.08553	1.9
157.10114	2.4
159.11748	7.7
161.13214	4.4
163.11205	1.5
169.10156	1.7
171.11716	2.9
173.13280	4.0
175.11192	2.2
175.14870	1.8
183.11763	2.4
185.13297	1.1
187.11354	1.1
187.14720	1.3
197.13260	2.5
201.12779	1.3
211.14784	1.2
215.75775	0.9
239.17920	4.2
257.19028	8.9
275.20090	100.0
275.27820	13.6
276.20474	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	275.2008
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
50.45459	0.9
51.05598	0.9
51.60701	0.8
53.03935	1.6
55.01867	2.3
55.05277	1.2
55.05519	14.5
57.07068	3.8
58.07398	0.8
60.11457	0.9
65.03942	1.4
67.05518	14.9
69.07079	10.0
70.06609	5.4
71.04993	1.8
71.06902	1.0
71.08632	1.1
71.24355	2.0
72.12813	1.1
76.09808	0.9
77.32733	0.9
77.87566	0.9
79.05498	15.6
81.07063	16.7
83.04979	1.6
83.08626	5.1
88.07623	5.0
89.07976	1.8
91.05491	43.6
93.07056	15.9
95.04953	3.3
95.08615	13.0
97.06469	1.0
97.10167	2.0
102.09158	1.6
103.05467	1.6
105.07042	66.0
106.08615	1.8
107.04946	2.6
107.08595	12.5
109.06526	1.1
109.10188	4.7
111.99934	1.8
115.05453	1.8
117.07043	11.3
119.08592	35.0
121.00459	1.7
121.06509	1.9
121.10133	4.1
123.08067	1.8
129.06989	2.3
130.07782	1.1
131.08594	16.7
133.10149	40.1
135.08073	2.6
135.11685	2.3
137.09622	1.2
143.08578	2.5
145.10141	20.8
145.11293	1.3
147.08073	1.0
147.11707	25.4
149.09686	4.6
157.10138	3.3
159.11705	7.5
161.09647	1.3
161.13284	5.6
163.00438	1.0
163.11195	2.3
163.57541	0.8
167.99727	1.7
168.01103	1.0
169.10107	1.2
171.11714	3.2
173.13277	4.3
175.11302	1.3
177.00201	1.1
183.11769	2.5
185.13402	1.4
187.14740	1.0
197.13254	2.6
201.12657	0.9
208.02101	2.0
213.16180	0.9
217.02524	1.2
229.15833	1.3
229.19496	1.2
239.18036	4.9
247.20676	1.0
252.04692	1.4
257.19016	8.4
257.26666	3.0
269.65979	1.0
275.20087	100.0
275.27765	44.0
276.20419	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	274.1651
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.1
55.05507	3.0
55.18697	1.0
56.01121	0.9
57.03466	1.0
57.07079	40.9
60.04525	7.7
63.42836	1.2
64.83848	1.0
65.76531	0.9
67.05177	1.6
67.05508	17.7
69.03414	1.8
69.07059	3.2
70.02943	4.1
70.06591	2.5
71.50850	1.9
79.05495	2.1
79.40102	0.9
81.07060	7.8
81.86607	1.0
83.01376	1.2
83.08620	8.1
88.03998	52.7
88.07623	3.2
91.05488	5.8
91.60751	1.1
92.05801	3.5
93.07025	2.1
94.36683	1.0
95.08614	2.3
97.02901	1.7
97.34091	1.1
102.05549	83.6
105.07030	2.7
106.07323	1.3
106.08674	1.6
107.04961	1.4
107.08598	2.6
108.05270	1.1
109.10162	53.3
119.04954	4.1
119.08588	2.6
120.05289	5.3
122.10531	1.0
123.04444	2.1
124.04825	1.4
127.11221	12.5
130.05037	1.5
131.04980	1.7
131.08537	1.3
133.10175	2.3
137.08035	1.2
142.07706	1.2
147.04428	10.7
148.04774	16.7
148.06033	100.0
148.12054	1.2
153.01839	34.3
154.02177	30.0
154.07359	1.2
168.81187	1.1
199.99342	1.2
219.17030	1.2
227.91275	1.2
230.16060	1.3
254.86502	1.3
256.17740	2.5
274.07947	44.9
274.19080	5.6
274.21616	1.5
274.27499	12.2
275.20044	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	274.9754
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96574	9.5
69.24782	3.8
70.95887	1.0
71.95260	2.4
76.47141	0.4
98.97598	100.0
116.98634	34.1
119.01949	1.0
130.93323	0.9
134.99677	5.3
140.00214	0.8
143.01926	0.7
158.01231	0.5
161.02997	0.7
172.94377	5.1
174.73274	0.4
190.95392	2.9
193.74400	0.4
196.56946	0.4
196.94287	0.4
214.95404	3.6
215.02042	0.4
219.02016	0.5
232.96452	4.9
244.93364	0.4
250.97362	1.6
256.93671	0.6
256.94138	0.3
256.96463	15.1
274.97522	70.8
275.97607	0.5
292.98593	26.0
297.99048	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	274.0923
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85258	1.0
53.03936	1.8
55.01875	1.4
55.05263	1.7
55.05513	17.3
56.05040	14.5
56.96558	4.2
57.03433	1.3
60.04529	72.8
65.03947	13.5
67.05508	57.1
69.03411	1.1
69.07071	1.4
69.55103	4.8
69.55518	2.0
70.06593	4.4
72.04510	3.9
72.08144	4.7
80.04990	1.2
81.03425	1.5
82.06582	17.4
83.04495	2.2
83.04988	40.6
84.08142	3.6
85.02893	2.0
86.09719	5.9
87.00825	3.6
87.66480	1.0
91.66976	1.0
93.03407	20.8
97.02900	1.8
98.06023	1.8
98.21496	1.9
98.97571	5.1
100.06994	1.8
100.07623	29.1
101.06011	4.9
107.08608	1.1
110.06052	16.1
110.97596	1.5
111.04438	21.5
127.03923	1.2
128.07086	6.1
129.05473	2.6
142.08638	100.0
144.10164	1.8
146.08116	10.8
152.06967	1.4
157.13393	2.0
170.08083	6.3
175.11914	1.4
188.09187	46.0
203.02544	0.9
204.53416	0.9
212.09241	3.4
214.24701	1.2
216.58745	1.2
232.08174	10.0
233.68027	1.1
254.62653	1.0
256.08194	5.7
274.09265	10.2
274.18777	3.3
274.27579	1.3
275.11035	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	274.1288
Annotation	O-glutaconylcarnitine
Peak:m/z	Relative Intensity
51.23325	0.3
55.05510	0.4
57.03444	12.0
67.05500	0.6
69.07069	1.0
70.02977	1.6
70.06626	0.4
71.02949	0.9
74.02456	5.7
78.30190	0.4
81.07059	2.5
88.04000	11.3
93.07030	0.5
95.08617	2.4
99.08102	100.0
102.49161	0.3
113.61892	0.3
116.03454	4.1
123.08067	0.9
127.89893	0.4
128.63754	0.4
134.04506	27.9
141.09123	1.9
159.10219	3.2
186.07751	0.6
228.12325	1.8
230.10478	0.8
256.11841	2.2
274.09991	0.4
274.12900	7.6
284.76151	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.185
Annotation	Octadeca-8,10,12-triynoic acid
Peak:m/z	Relative Intensity
50.61885	1.6
53.03936	4.8
55.01867	9.0
55.05521	13.4
56.96900	1.7
57.03418	2.3
57.07076	2.9
65.03950	2.4
67.05511	30.4
69.03447	3.8
69.07069	10.4
69.89745	6.8
69.90146	2.9
70.43882	1.5
71.05007	2.0
79.05066	2.6
79.05496	33.1
81.03402	6.1
81.07066	39.1
83.04978	5.2
83.08617	7.8
85.02859	1.8
91.05491	40.9
93.07056	27.0
95.04983	12.4
95.08611	30.3
97.06541	4.2
97.10171	2.0
103.05467	2.8
105.07036	36.0
106.08691	2.2
107.04953	15.1
107.08611	17.3
109.06525	13.6
109.10148	6.7
111.04440	2.0
111.08118	2.9
115.05414	2.5
116.06260	2.0
117.07021	21.6
119.08582	31.6
121.06548	13.0
121.10137	7.5
123.08082	12.5
123.11697	2.1
125.09689	2.1
128.06229	3.1
129.07040	9.5
130.07770	2.3
131.04964	2.5
131.08586	25.7
133.06485	9.4
133.10144	18.7
135.08060	16.9
135.11682	4.5
137.09607	12.6
141.07001	4.1
142.07677	2.0
143.08614	14.7
144.09340	2.2
145.06529	3.1
145.10146	24.5
146.07268	1.8
147.08066	11.3
147.11693	8.1
149.09605	12.4
149.13303	2.6
157.06454	2.0
157.10115	10.6
159.08093	3.7
159.11702	13.5
161.09624	25.9
163.11177	3.8
166.46465	1.9
169.10130	3.3
171.11690	13.8
173.09669	5.2
173.13303	3.4
175.11215	12.0
177.09149	3.6
177.12758	2.3
181.10170	3.9
185.09569	5.9
185.13303	5.1
187.11252	3.6
189.12770	6.0
191.10539	2.2
195.11690	2.8
199.11205	6.5
199.14853	2.0
209.13275	4.2
213.12823	4.5
213.16411	6.5
217.12181	2.0
227.17941	5.2
231.13829	2.2
237.16467	4.1
245.19031	6.9
255.17439	17.4
273.18518	100.0
273.29935	11.0
274.27493	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	273.2578
Annotation	Trixagoene
Peak:m/z	Relative Intensity
53.03933	2.2
55.05518	14.7
57.07075	9.3
65.03951	1.8
67.05504	33.6
69.07074	42.5
69.94287	7.0
71.08617	3.3
75.48292	1.5
79.05504	16.2
81.07058	68.3
83.08622	13.7
87.32868	1.6
91.05483	14.7
93.07050	41.0
95.08609	83.0
97.10186	10.4
105.07031	28.1
107.07877	3.0
107.08603	59.9
109.10158	59.8
111.11691	4.0
113.92229	1.6
117.06999	2.5
119.07810	2.3
119.08591	28.3
121.10152	48.6
123.11712	32.9
131.08565	3.3
133.10136	21.5
135.11699	32.9
137.13290	14.1
145.10098	2.5
147.11679	19.8
149.13263	44.6
151.14841	6.3
156.04224	8.3
157.10255	2.3
159.11711	2.8
161.13271	27.4
163.13435	2.2
163.14827	27.9
165.16476	2.1
175.14810	16.5
177.16396	16.0
189.16386	22.3
191.17973	13.2
202.38330	2.0
203.17973	18.1
217.19511	24.4
231.21088	4.7
255.21089	2.2
273.22614	5.6
273.25784	100.0
274.27515	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	273.0759
Annotation	(plusmn)-Naringenin
Peak:m/z	Relative Intensity
55.01856	0.4
56.96578	0.6
64.66773	0.4
65.03932	0.9
67.01878	2.1
67.05515	0.7
68.99803	1.9
69.03432	1.6
69.07072	0.6
69.83420	2.3
81.03443	0.6
81.07045	0.9
83.01349	0.8
85.06545	1.0
86.13539	0.4
87.99646	0.5
91.05489	7.0
93.07032	0.7
95.04993	3.0
95.08614	0.7
97.02917	2.2
97.06550	0.5
98.21400	0.6
98.97576	0.6
101.32483	0.5
105.07078	0.5
107.04962	2.6
107.08604	0.9
107.22271	0.5
109.10181	0.7
111.00837	0.6
119.04958	16.7
121.02885	0.7
121.06519	0.7
121.10143	0.7
123.04443	4.6
130.06534	0.5
131.05000	0.6
133.10114	0.5
135.11778	0.5
143.08562	0.5
145.10129	0.7
147.04425	43.3
149.05936	0.6
151.03946	0.9
153.01846	100.0
159.09200	1.7
161.06009	0.5
165.06915	0.5
170.06035	0.8
171.02975	2.2
171.04250	0.5
179.03410	0.7
181.06531	0.6
184.07587	0.6
185.07149	1.1
187.08772	0.4
189.05498	1.4
227.08173	0.8
231.06758	0.6
241.08519	0.8
245.09259	0.7
255.06529	0.7
273.07599	73.0
274.04858	0.5
274.07941	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1125
Annotation	Eulophiol
Peak:m/z	Relative Intensity
53.03952	2.3
53.17220	1.2
55.01878	2.6
55.05522	1.6
60.97535	1.1
62.70777	1.0
65.03922	1.2
67.05495	2.7
69.03436	3.4
69.84679	2.5
69.85083	3.5
70.06608	2.1
72.08160	2.1
79.05497	3.4
81.03397	2.1
81.07066	1.3
83.04977	1.7
84.08170	1.7
85.02927	3.1
87.04518	1.2
91.05494	15.3
93.07028	1.7
95.04992	8.0
95.08652	1.1
97.02916	2.5
97.06533	1.4
98.21446	1.7
99.04448	2.1
103.05471	4.1
105.03425	1.8
107.04956	5.6
109.02888	1.7
109.06537	2.3
109.10226	1.3
111.04431	1.7
111.52020	1.0
115.05487	1.2
117.07063	1.6
119.04945	9.0
120.05737	1.4
121.06525	27.2
123.04438	9.1
124.05184	1.5
125.05981	2.5
129.07045	1.6
130.12257	1.3
131.04967	4.6
131.39441	1.4
133.02872	3.1
134.03642	4.8
135.04440	3.6
135.08087	1.3
137.05991	16.0
139.03983	1.3
141.06973	2.5
142.07828	2.4
143.04974	1.5
144.05717	1.3
145.06522	3.4
147.04440	2.2
148.05200	2.0
149.06006	63.3
150.06784	1.9
151.07571	31.7
152.06230	30.5
153.07019	90.5
154.07707	1.3
155.04913	2.6
155.08574	2.0
157.06511	2.4
161.06003	3.4
163.04018	2.1
163.07591	4.7
165.05765	1.1
165.06982	5.4
165.44777	1.0
166.12230	1.2
167.08574	6.3
169.06505	9.9
170.07307	13.1
171.08061	2.3
175.07532	2.0
177.05667	1.3
177.07132	1.1
177.09135	1.8
179.07133	4.1
180.05757	6.2
181.06512	100.0
182.07339	7.9
183.08083	1.9
184.05208	1.3
185.06053	1.3
185.09593	2.9
187.07594	2.0
189.05537	3.2
195.08075	15.8
197.05983	6.6
198.06789	18.3
199.07545	3.8
208.05191	1.5
209.06007	21.0
210.06795	1.4
211.04520	1.9
212.08273	2.1
213.09140	70.5
215.07098	1.1
223.07574	4.4
226.06235	6.3
227.07190	2.5
227.10716	3.4
236.40517	1.3
240.07849	1.1
241.08635	70.7
242.09386	4.0
245.11765	2.4
255.10245	2.0
258.08798	1.7
273.07687	3.3
273.11261	42.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1123
Annotation	Eulophiol
Peak:m/z	Relative Intensity
53.03926	2.9
55.01859	3.1
55.05488	1.1
60.00109	0.8
60.30727	0.8
65.03940	1.7
67.05498	2.5
69.03413	1.9
69.82825	3.6
69.83243	1.5
69.90976	0.9
70.06573	1.4
71.04962	1.3
72.08164	1.3
79.05486	2.2
80.94128	0.9
81.03400	2.5
81.07029	1.6
83.04954	1.7
84.08125	1.2
85.02894	3.5
86.09698	1.1
91.05481	13.4
93.03424	1.5
93.07040	2.1
95.04982	6.8
95.08613	2.0
97.02883	2.7
98.97561	1.7
99.01754	1.1
99.04449	1.8
103.05473	4.9
105.03436	1.0
105.04472	1.2
105.07046	1.8
107.04973	5.9
107.08575	1.5
108.05685	1.2
109.06498	1.7
109.10143	1.1
115.05437	1.3
117.03341	1.4
117.07025	1.5
117.17043	0.9
119.04930	7.1
121.02802	1.2
121.05685	1.9
121.06515	30.0
122.03601	1.0
123.04453	8.3
124.05158	1.1
125.06011	1.8
127.03927	1.1
129.06993	1.3
130.12297	1.8
131.03310	1.1
131.04906	4.5
131.46796	0.9
133.02815	2.5
133.06470	1.1
133.10098	1.1
134.03650	7.0
135.04459	5.0
136.05186	1.6
137.05980	12.8
140.04724	1.1
141.06987	2.0
142.07753	2.9
143.04907	1.9
145.06470	2.8
147.04443	2.2
148.05142	3.1
149.05991	56.3
150.06723	2.7
151.05624	1.5
151.07558	29.1
152.06226	27.2
153.01837	1.6
153.07001	89.3
155.08527	1.7
155.67212	1.0
157.06517	2.4
161.05933	2.4
163.03897	3.1
163.07535	4.5
165.07043	4.7
166.66818	1.0
167.07207	1.6
167.08551	9.0
169.06508	9.6
170.07281	13.7
171.04370	1.6
171.07912	0.9
175.07489	2.4
176.08316	1.1
177.06970	1.0
177.09116	2.3
179.07010	2.4
180.05742	6.7
180.56775	0.9
181.06491	100.0
182.07245	7.1
185.09633	3.4
187.07481	1.4
189.05461	1.3
189.09081	1.1
194.07112	0.9
195.08067	14.4
197.05957	7.5
198.06758	16.9
199.07416	3.6
203.07050	1.1
208.04858	1.2
209.04042	1.8
209.05966	23.9
210.06667	1.8
211.07497	1.1
212.08003	2.8
213.09119	56.5
223.07549	5.3
226.06216	3.8
227.06964	2.7
227.10625	2.9
227.22198	0.9
230.09369	1.0
240.07707	1.1
241.08617	63.1
242.09332	4.6
245.08044	1.4
245.11688	1.9
255.10204	2.8
258.08771	2.9
273.07764	3.4
273.11115	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	273.0761
Annotation	2beta-5,7-Trihydroxyflavanone
Peak:m/z	Relative Intensity
53.03958	0.6
55.01894	0.9
56.78967	0.6
57.93910	0.6
65.03973	0.7
67.01875	3.8
67.05524	1.6
68.00726	0.6
68.99792	3.1
69.03439	2.0
70.68916	1.7
72.56052	0.6
79.05509	1.3
81.03436	0.7
81.07079	3.0
83.04989	1.1
85.06544	1.0
87.00840	1.0
91.05479	7.3
93.07048	1.0
95.04982	2.6
95.08628	1.3
97.02921	1.7
97.06552	0.8
105.07043	1.3
107.04949	2.9
107.08623	1.0
109.06551	0.8
109.10175	0.9
111.00785	1.0
115.05458	5.4
117.05804	1.4
117.06992	1.0
118.06549	1.8
119.04954	17.9
119.08566	0.8
121.06498	1.3
121.10120	0.9
123.04420	5.1
123.11700	1.3
129.07011	0.9
130.06535	13.4
131.08577	0.7
132.08098	20.9
142.06535	8.5
144.08025	1.0
145.10136	1.0
146.06029	1.7
147.04422	39.3
151.03821	1.0
152.06166	0.8
153.01837	100.0
153.06993	1.7
154.02200	1.2
154.06546	1.6
156.08080	2.2
157.06497	0.7
157.07600	3.3
158.06065	0.9
158.08427	2.6
159.09189	48.4
160.07593	4.5
167.06071	1.4
169.06296	1.0
169.07632	12.5
170.06018	26.6
170.86072	0.6
171.02869	1.7
172.07579	1.1
179.03249	0.8
181.07718	3.3
182.06044	1.9
183.09225	3.8
184.07591	9.9
185.07117	28.5
187.07079	1.2
187.08672	13.8
187.11237	0.8
188.07045	2.6
189.05392	1.3
199.08737	1.5
200.07086	11.0
201.10260	8.6
209.07071	1.6
211.08638	0.8
213.09113	1.6
213.16309	0.7
227.08170	31.9
231.07733	5.2
241.08438	1.0
245.09245	37.4
255.07739	4.3
256.06024	1.3
273.07553	71.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.076
Annotation	(plusmn)-Naringenin
Peak:m/z	Relative Intensity
53.03934	0.4
55.01878	0.7
55.05504	0.6
57.03435	0.3
57.07074	0.7
65.03951	0.6
67.01873	2.3
67.05504	1.4
68.99787	2.2
69.03436	1.8
69.07063	0.7
70.94463	0.4
70.94800	0.5
71.04979	0.2
73.20860	0.2
79.05514	1.3
80.44631	0.2
81.03407	0.4
81.07054	1.9
83.01346	0.3
83.04979	0.4
83.08633	0.4
85.02925	0.3
85.06577	0.3
88.04008	0.3
91.05489	8.0
93.07050	1.7
95.04972	2.6
95.08622	1.5
96.30633	0.2
97.02895	1.0
98.97579	0.2
102.05504	0.3
103.05461	0.3
105.07040	2.1
107.04958	2.6
107.08581	1.5
109.06542	1.0
109.10191	1.2
111.00779	0.5
111.68121	0.3
114.74669	0.2
115.05446	0.4
117.07021	0.9
119.04951	17.7
119.08585	2.0
121.02837	0.5
121.06513	1.0
121.10127	1.3
123.04443	4.3
123.08102	0.3
123.11783	0.3
127.03967	0.3
128.06209	0.6
129.07014	0.7
131.08582	1.3
133.06480	0.6
133.10110	1.0
135.08060	0.5
135.11734	0.3
141.07004	0.3
142.07816	0.5
143.08575	1.3
145.10176	1.7
147.04420	42.7
147.11659	1.1
148.04843	0.2
148.06064	0.6
149.06018	0.4
149.09639	0.4
149.13220	0.3
149.46996	0.2
151.03928	0.8
152.06250	0.3
153.01837	100.0
154.02199	0.8
155.08603	0.6
156.09325	0.7
157.06509	0.2
157.10164	1.8
159.08029	0.7
159.11716	0.9
160.03937	0.3
161.05998	0.5
161.09627	0.7
161.13257	0.5
163.11104	0.3
165.07025	0.3
167.08609	0.5
169.10124	0.7
171.02951	2.1
171.04260	0.4
171.11714	1.3
173.09663	0.5
173.13252	0.8
175.11201	0.5
177.16420	0.3
179.03421	1.0
180.09306	0.3
181.06496	1.1
181.10144	0.4
182.10886	0.7
183.11720	0.4
185.09653	0.4
185.13350	0.5
187.11157	0.3
189.05437	0.9
189.12779	0.7
195.11717	0.5
197.13235	1.4
199.11255	0.8
207.11620	0.3
211.14827	0.6
212.15582	0.5
213.09157	0.6
213.12782	0.4
213.16426	1.1
215.14308	0.5
217.12218	0.3
222.13979	0.3
227.14264	0.9
229.15932	0.3
231.06593	0.4
237.16377	0.3
240.15341	0.3
241.08578	0.3
255.06549	0.9
255.17517	2.4
273.07587	69.1
273.18530	5.2
273.25720	1.3
274.07977	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.076
Annotation	(plusmn)-Naringenin
Peak:m/z	Relative Intensity
51.02375	0.2
55.01874	0.5
55.93337	0.2
57.11660	0.2
58.96413	0.2
65.03932	0.6
67.01534	0.4
67.01872	5.4
67.05508	0.7
68.99793	3.1
69.03443	1.7
69.07067	0.3
69.35766	1.9
71.04993	0.2
74.06018	0.2
79.01848	0.5
79.05477	0.3
81.03411	0.7
81.07089	1.1
83.01348	0.6
85.02925	0.3
91.05492	6.8
93.07062	0.5
95.04976	2.1
95.08615	0.6
97.02908	1.1
105.07050	0.8
107.04962	2.5
107.08618	0.8
109.06508	0.4
109.10155	0.5
111.00819	0.8
115.05531	0.3
117.06998	0.3
119.04957	13.7
119.08578	0.5
121.02843	0.3
121.06553	1.5
121.10148	0.5
123.04450	3.5
125.02367	0.6
127.03925	0.4
129.01863	0.6
129.07033	0.4
131.08586	0.2
133.06459	0.3
133.10089	0.6
135.08086	0.3
135.11700	0.4
137.05962	0.3
145.10158	0.5
147.04425	36.6
148.04753	0.3
149.05989	0.7
151.03893	0.7
152.06197	0.4
153.01843	100.0
153.07002	0.8
154.02179	0.7
157.06544	0.6
157.10091	0.3
167.08551	0.3
171.02905	7.3
171.07870	0.2
173.13283	0.3
175.07564	0.3
179.03395	1.2
181.06520	0.9
185.05971	0.4
189.05479	0.9
209.06007	0.3
213.09105	0.5
213.16449	0.3
215.14325	0.2
219.13933	0.4
231.06580	4.3
241.08583	0.7
255.06581	0.7
258.06421	0.3
259.69537	0.2
273.07599	63.5
273.18472	1.2
274.08054	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1905
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	4.3
55.05510	39.7
57.03434	24.8
57.07063	5.7
63.32088	2.7
67.05510	49.2
69.03408	2.9
69.07070	25.1
71.04984	13.6
71.08634	3.2
79.05496	23.5
81.07059	86.2
83.05009	3.4
83.08611	17.4
85.06541	10.9
87.35566	2.3
91.05486	24.6
93.07047	19.7
95.04973	4.3
95.08610	100.0
97.06522	15.8
97.10171	5.4
99.08099	5.2
105.07050	16.3
107.08586	10.5
109.06503	3.6
109.10136	14.3
111.08085	5.9
117.07027	3.7
119.08591	24.1
121.10138	7.2
123.08046	5.5
131.08592	2.9
133.10121	18.5
135.11694	9.7
137.09576	4.7
137.13251	6.2
144.11261	2.5
145.10168	3.1
147.08061	5.5
147.11722	3.2
159.11667	4.1
161.13268	27.6
169.06277	2.7
171.11673	3.3
174.98622	2.5
179.14314	10.9
187.14786	2.9
197.13257	2.4
202.22673	2.7
215.08339	2.4
271.18887	47.0
271.24237	8.1
271.28110	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.2421
Annotation	Axerophthene
Peak:m/z	Relative Intensity
53.03920	1.4
55.05508	8.8
57.07075	9.2
67.05505	12.8
69.07075	20.5
70.11874	4.8
71.08633	8.4
79.05505	6.7
81.07065	25.7
83.08621	5.0
91.05488	8.7
93.07044	10.7
95.08613	35.2
97.10162	4.3
97.10737	1.2
98.31161	1.1
105.07035	25.5
107.08611	21.3
109.10168	16.2
111.11729	7.8
117.07004	2.9
119.08585	32.7
121.10152	14.3
123.11713	12.5
129.43634	1.1
131.08549	8.2
132.85956	1.1
133.10139	50.8
134.10463	1.8
135.11716	9.4
137.13284	9.9
143.08554	1.9
145.10156	10.2
147.11702	19.5
148.24995	1.0
149.13301	6.8
157.10104	1.8
159.11703	12.0
161.13271	19.3
163.14824	8.2
165.78125	1.2
167.29156	1.2
173.13280	8.9
175.14832	16.3
177.16374	3.7
187.14839	11.0
189.16408	3.1
201.16409	9.1
203.18071	1.2
210.23140	1.2
213.16290	1.7
215.17987	12.5
229.19601	7.1
254.78593	1.2
271.24219	100.0
272.24454	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1177
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.6
55.01878	5.9
55.05509	2.8
56.51632	0.5
57.03440	6.1
57.07063	0.9
65.03945	3.8
67.05507	6.3
68.99798	6.9
69.03433	4.2
69.07064	2.8
69.90376	0.5
70.06614	3.3
71.01348	1.2
71.04995	3.6
71.51484	1.0
72.08158	4.4
73.02924	30.5
75.04495	3.2
77.03925	0.7
79.05495	6.5
81.03417	1.2
81.07060	5.2
83.01351	2.1
83.04988	1.8
84.08144	2.5
85.02906	8.5
85.06547	2.6
87.67393	0.5
91.05482	7.0
93.03408	3.8
93.07050	6.0
95.01339	0.7
95.04987	3.7
95.08616	4.1
97.02895	3.2
97.06527	1.9
99.04478	1.1
103.05482	2.4
105.07038	3.4
107.04968	3.3
107.08605	2.6
108.02094	1.1
109.02863	1.2
109.06528	1.7
109.10162	2.5
110.03670	4.7
111.00787	1.6
111.04456	4.6
111.08096	1.2
113.02370	1.6
115.05450	1.1
116.07120	1.5
117.07011	0.9
119.04971	3.7
119.08579	2.6
121.02877	0.9
121.06522	1.9
121.10150	5.4
123.04446	2.7
123.05598	0.7
123.08067	1.2
123.11723	0.8
125.02359	1.0
125.06002	37.1
125.09643	1.0
127.11244	0.8
129.05481	0.8
129.07028	1.3
130.06526	4.1
131.04922	2.1
131.08601	1.7
133.06487	0.8
133.10147	2.5
135.04442	1.0
135.08066	1.3
137.05980	3.7
137.09648	1.2
139.03976	0.7
139.11188	2.2
141.05475	2.0
141.06987	4.4
145.06526	0.7
147.04404	1.4
147.06520	3.6
147.11681	0.8
149.06010	4.4
149.09631	2.2
151.03920	100.0
151.05016	7.5
151.07523	4.5
151.11198	1.3
152.04221	0.8
152.06223	1.8
153.06969	5.5
153.09085	0.8
154.07732	1.3
155.04907	2.1
155.07356	0.6
155.08504	3.3
157.06483	2.0
157.07637	11.1
157.12321	0.7
158.06068	0.8
159.02876	0.7
159.11694	0.8
163.07607	2.3
165.07008	13.5
167.10698	2.4
168.05743	2.0
169.06538	3.4
169.07770	1.3
173.05980	5.2
179.07066	20.3
179.08577	1.4
181.06404	4.0
182.07350	1.4
183.04404	1.9
183.08008	8.0
185.05997	1.9
185.11751	0.7
187.03847	1.6
187.07510	0.7
193.06505	2.2
196.05238	1.4
197.06024	3.3
197.08127	18.5
199.09758	0.8
201.05434	5.2
203.06894	1.8
203.08472	1.2
207.04471	1.1
210.06776	0.9
211.07541	7.2
215.07021	1.0
217.15883	0.6
221.06055	2.2
225.05531	2.9
225.07518	2.7
225.09418	1.3
228.07872	1.3
229.04985	6.7
229.09706	0.7
235.16930	1.1
239.07069	2.1
242.09390	0.9
243.06572	3.6
243.10327	0.9
253.04982	1.7
253.10722	2.3
253.18079	0.8
256.07120	0.7
271.06085	22.5
271.09665	11.9
271.11807	14.7
271.16171	0.7
271.18900	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0967
Annotation	Amoenumin
Peak:m/z	Relative Intensity
51.04750	0.8
53.00304	1.3
53.03936	1.7
55.01876	9.1
55.05490	2.8
57.03444	8.1
63.72768	0.8
65.03934	2.6
67.05494	3.6
68.99800	7.4
69.03438	10.5
69.07058	2.7
69.87997	1.0
70.06586	3.4
70.63390	2.3
70.63736	1.7
71.01361	4.7
71.04975	3.0
72.08160	4.6
73.02915	2.0
79.05480	3.2
81.03408	4.2
81.07058	3.7
83.00908	1.3
83.01355	15.4
83.04971	1.9
85.02912	30.8
85.06501	2.0
89.03915	1.3
91.04977	1.6
91.05492	18.4
93.03426	1.7
93.07036	3.2
95.01352	1.0
95.04958	4.7
95.08601	2.1
97.02299	1.2
97.02898	15.0
97.06548	1.2
97.61068	0.9
99.00801	1.6
101.02357	2.4
103.05431	1.9
105.07034	3.7
107.04981	5.4
107.08590	2.4
109.02881	2.9
109.10151	2.2
111.00814	5.0
111.04494	1.3
113.02365	4.2
115.05450	4.1
116.07091	2.4
117.03371	2.3
117.07023	1.8
118.04173	2.2
119.04961	10.4
119.08565	3.0
121.02843	2.6
121.06540	5.9
121.10155	1.5
123.04464	2.5
124.05278	1.2
125.02360	2.8
127.00133	2.1
127.11248	0.9
129.07004	6.6
131.04932	2.2
131.08527	1.5
133.06502	1.3
133.10077	1.1
134.03618	2.3
135.04399	1.9
135.08046	1.0
136.07565	0.9
137.06006	7.2
137.09549	0.9
139.03951	1.1
140.06216	1.4
141.01846	1.0
141.07001	11.4
142.07709	0.9
143.08511	1.0
144.05647	1.2
145.06462	2.7
145.10147	1.6
147.04405	2.8
147.08037	1.6
149.05948	3.8
149.09653	1.7
150.06746	2.2
151.11128	0.9
152.06219	9.4
153.07007	38.9
154.07745	3.7
155.03500	1.5
155.04892	2.3
155.06038	1.9
155.07402	1.8
155.08571	21.0
157.06494	7.3
159.11716	1.4
161.06163	0.9
161.13239	1.3
165.07016	92.4
166.07616	1.1
167.08588	1.6
168.05745	14.3
169.06500	10.7
170.07227	2.7
172.05072	1.0
173.06000	5.6
175.07397	1.4
178.07866	1.2
179.04890	1.4
179.08530	1.5
181.04993	1.9
181.06479	20.8
182.07278	7.6
183.04459	2.7
183.08070	45.3
184.05046	1.0
185.05960	7.7
187.03893	1.7
187.07565	1.6
193.06325	12.8
193.07961	1.7
194.07275	2.6
195.08034	2.0
196.05252	10.3
197.04587	1.2
197.06000	10.0
197.09647	1.7
198.06775	2.9
199.07561	2.8
200.08270	5.3
201.03925	1.3
201.05511	6.0
203.05380	1.3
203.07094	1.6
207.04379	5.2
209.05975	1.9
210.06825	6.1
211.07562	48.4
212.08388	6.8
213.05495	3.3
213.08981	1.7
215.07031	2.2
217.15875	1.4
221.05984	17.2
221.11719	1.0
225.05498	3.1
225.09117	3.3
227.01894	1.3
227.07057	1.6
228.07771	5.2
229.04974	8.2
229.09904	1.2
235.16985	1.7
238.06313	0.9
239.07025	9.4
242.09424	5.8
243.04535	1.3
243.06581	2.9
243.10010	5.6
243.17975	0.9
253.05061	1.7
253.08586	1.7
256.07278	2.1
270.09097	1.1
271.06064	19.6
271.09665	100.0
272.10080	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0603
Annotation	Apigenin
Peak:m/z	Relative Intensity
50.53291	0.1
55.01870	0.1
65.03948	0.2
67.01534	0.1
67.01874	1.8
67.05534	0.1
68.99445	0.1
68.99797	1.3
69.03424	0.2
69.07058	0.1
70.84664	0.1
70.85009	0.1
79.05500	0.1
81.03421	0.1
81.07049	0.1
83.01349	0.1
85.02917	0.2
91.05494	2.0
93.07057	0.2
95.08626	0.1
97.02903	0.2
98.97594	0.1
105.07044	0.1
107.08583	0.2
109.02902	0.1
109.10151	0.1
111.00819	0.3
113.02370	0.1
115.05463	0.1
117.07015	0.1
119.04959	5.5
119.08595	0.1
121.02880	1.7
121.10168	0.1
125.02360	0.2
127.03903	0.1
129.01828	0.4
129.07027	0.1
131.04977	0.2
131.08511	0.1
137.06094	0.1
141.06982	0.3
142.52864	0.1
145.02855	1.6
145.06511	0.1
145.10101	0.1
147.11728	0.1
149.13322	0.1
153.01849	12.1
153.07019	0.2
154.02261	0.1
155.04915	0.1
155.08539	0.2
157.06519	0.1
161.13297	0.1
163.03961	1.0
165.07004	0.6
165.12732	0.1
168.05704	0.2
169.06560	0.3
171.02908	0.7
173.06003	0.2
175.14920	0.1
181.06491	0.2
183.04510	0.1
183.08063	0.2
185.05997	0.1
187.03856	0.4
193.06360	0.1
197.06088	0.4
201.05608	0.2
202.06190	0.1
203.07074	0.3
210.06708	0.1
211.03889	0.1
211.07538	0.3
212.08302	0.1
213.05440	0.1
215.06963	0.1
219.35127	0.1
221.05916	0.1
225.05472	0.6
229.04973	0.7
243.06560	1.0
247.05981	0.2
253.05035	0.1
271.06042	100.0
272.06375	1.7
288.59195	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0452
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	5.5
55.01884	13.1
55.05519	6.7
57.03448	40.9
63.20183	2.8
65.03938	3.3
67.05507	10.2
68.99796	13.0
69.03442	51.1
71.01371	22.2
71.05002	3.0
73.02922	4.0
79.03134	2.4
79.05473	6.2
81.03429	8.6
81.07073	10.1
83.01357	9.8
83.04994	8.2
83.08624	3.3
85.02917	100.0
91.05492	11.5
93.03438	3.9
93.07039	7.5
95.01343	12.1
95.04977	7.3
95.08615	11.8
97.02909	52.5
101.02394	7.6
103.03974	17.0
105.07060	7.9
107.04992	5.4
107.08621	8.4
109.02927	5.6
109.10158	4.9
111.00013	2.5
111.00848	2.9
113.02386	48.7
115.03913	3.6
117.06997	4.4
117.13409	2.6
119.04947	7.1
119.08601	8.8
121.02905	3.0
121.10152	6.3
123.04440	6.0
125.02389	8.5
127.03981	5.9
129.07016	4.4
131.03445	7.5
131.08557	4.3
133.10172	7.9
135.04491	3.3
135.11708	3.0
137.02388	2.8
137.06030	6.1
139.03928	4.7
139.16917	2.5
141.01849	12.0
141.07011	7.4
143.08511	3.8
145.10133	7.3
147.04391	2.6
151.03917	4.9
153.01872	9.3
153.06982	14.5
155.03419	3.6
155.04915	3.2
155.08560	10.2
157.10187	4.1
159.02908	10.9
159.11778	4.9
161.13327	7.1
165.07025	38.1
167.03447	5.0
168.05719	4.6
169.06491	4.7
171.02907	3.4
171.08144	3.1
173.06068	11.4
175.14902	3.3
179.03291	3.5
181.06497	10.0
182.07164	3.8
183.08081	18.0
185.05977	4.7
193.06439	7.2
196.05186	4.0
197.06073	7.0
200.08382	2.9
201.05516	3.5
211.07552	20.6
213.12860	3.2
215.08670	3.2
215.17966	3.7
221.06035	4.6
225.05617	3.7
229.05014	8.4
236.48221	3.3
239.06956	4.5
243.04880	15.6
271.06036	82.5
271.09735	36.0
271.13745	5.8
271.17007	8.6
271.20868	6.4
271.24240	15.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.175
Annotation	(2beta,5alpha,8beta,10alpha)-9(12)-Capnellene-2,5,8,10-tetrol
Peak:m/z	Relative Intensity
55.01866	2.6
55.05514	6.1
57.03450	2.5
57.07082	1.9
59.04987	2.7
66.34809	2.3
67.05505	11.8
69.03435	7.1
69.07057	6.3
70.80148	5.8
71.04999	11.2
73.28125	1.7
79.05498	14.6
81.07069	26.4
83.04986	11.7
85.06568	14.4
91.05501	15.7
93.07052	19.5
95.04993	10.2
95.08615	11.3
97.06536	5.9
103.05464	5.4
105.07054	23.2
107.04975	34.2
107.08602	23.1
109.06528	13.9
109.10152	6.8
111.08091	5.6
115.05476	2.9
117.07050	6.8
119.04967	3.5
119.08595	15.9
120.05732	3.7
121.04002	4.1
121.06548	6.7
121.10168	10.1
123.08076	7.1
123.11730	2.3
125.06010	3.6
125.09646	100.0
127.07551	10.1
131.08600	7.9
133.06508	4.7
133.10164	10.3
135.04425	4.3
135.08075	12.0
135.11685	5.1
136.04774	6.2
137.06017	5.6
137.09579	2.0
139.07599	2.1
140.94830	2.1
143.08546	3.7
145.06531	2.7
145.10149	15.1
147.04442	3.4
147.08046	4.5
147.11707	7.1
149.05969	2.8
149.09624	4.3
151.07553	3.7
157.10123	2.6
159.08076	2.5
159.11734	6.8
161.13303	6.0
162.80086	2.3
163.07571	24.4
163.11188	27.6
165.05533	3.8
165.09116	3.4
167.07074	8.9
173.09586	3.5
173.13411	4.5
175.11234	7.7
175.14883	2.4
177.12830	4.4
180.07832	45.9
180.09418	3.0
181.12196	3.5
187.11131	4.4
187.14870	3.9
191.10770	3.1
191.14331	5.1
193.08607	4.1
193.12256	9.9
195.08398	3.8
195.10193	60.8
203.14357	8.1
205.12259	4.7
205.15892	3.1
209.11774	3.3
215.10646	2.2
215.14366	5.7
221.15376	9.7
223.17000	2.4
233.11845	3.6
233.15398	14.2
251.12907	3.7
251.16454	24.4
256.47955	2.1
269.12155	2.0
269.15262	2.3
269.17477	11.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.175
Annotation	Arteincultone
Peak:m/z	Relative Intensity
53.03930	3.2
55.01854	3.4
55.05514	22.7
57.03440	33.4
57.07059	4.1
64.16711	0.9
65.03919	2.5
67.05509	75.1
67.36253	0.8
69.03414	1.3
69.07073	29.6
69.40769	6.6
71.04996	6.8
71.08608	1.1
71.23919	0.9
79.05499	46.9
80.33991	0.9
81.03419	1.9
81.07061	100.0
83.04990	9.5
83.08164	1.1
83.08626	17.0
85.02859	0.9
85.06551	4.9
91.05489	22.9
93.07051	75.3
95.04998	4.6
95.08616	26.8
97.06528	17.4
97.10146	2.4
99.08086	3.5
99.36430	0.9
105.04552	1.3
105.07029	7.8
107.08602	40.3
109.06499	3.3
109.10176	5.9
111.08097	11.2
111.11716	1.9
113.05988	2.1
113.09600	2.0
117.06997	8.1
119.08539	3.2
121.06492	2.3
121.09351	1.3
121.10152	20.6
123.08035	1.5
123.11681	3.0
125.09612	1.8
127.07601	1.0
131.08595	9.5
133.10152	9.3
135.08032	2.6
135.11682	11.7
139.07523	1.5
139.11165	3.2
147.11646	2.1
149.13269	48.0
151.11108	1.0
157.10106	1.6
159.11707	20.7
167.14363	1.2
177.12744	8.9
195.13821	10.8
269.17447	37.1
269.22565	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	269.1748
Annotation	1beta-Hydroxy-11-epi-colartrin
Peak:m/z	Relative Intensity
50.58984	3.0
50.98479	2.7
51.34087	2.4
51.94797	2.4
53.03927	2.9
55.01878	5.2
55.05501	11.6
57.03430	7.4
57.07071	3.4
59.04993	4.0
67.05498	22.6
69.03084	2.8
69.03428	12.0
69.07065	16.0
70.97527	8.0
71.04979	12.2
77.99552	2.9
79.05489	19.2
81.03404	6.8
81.07063	43.9
83.04974	18.2
85.02887	5.0
85.06556	20.8
86.09691	4.1
91.05470	26.6
93.07039	36.9
95.04974	14.2
95.08604	24.9
97.06535	13.2
97.10168	3.3
99.04476	6.5
102.04855	3.1
105.07027	45.4
107.04958	13.7
107.08597	47.1
109.06519	22.5
109.10155	12.9
111.08078	13.7
113.05964	4.0
115.05421	3.2
117.07030	13.7
119.08591	26.9
121.06507	11.0
121.10150	22.3
123.04386	6.2
123.08077	14.2
125.06011	4.6
125.09635	100.0
127.07545	11.5
128.06316	3.3
129.06955	4.9
131.08577	27.2
132.16978	3.2
133.06497	5.8
133.10135	20.8
135.08058	19.4
135.11690	6.8
137.05952	7.9
137.09627	8.2
139.11194	4.0
141.07042	3.0
143.07045	3.3
143.08594	6.0
145.06535	4.7
145.10136	28.2
147.08066	8.7
147.11702	20.2
149.06010	4.2
149.09616	8.4
149.13257	4.1
151.07600	3.4
151.11154	7.0
157.10118	11.9
159.08023	4.4
159.11702	11.6
161.09628	6.7
161.13261	9.7
163.07632	4.7
163.11163	24.0
165.09129	5.1
167.07065	4.6
173.09610	9.5
173.13287	9.1
175.11165	18.3
175.14912	4.1
177.05533	4.1
177.12709	6.5
187.11234	7.9
187.14833	12.3
191.10608	6.5
191.14351	6.8
193.12250	22.0
195.10167	13.0
203.14287	13.5
205.12364	5.3
205.15862	6.3
207.13802	4.2
215.14308	14.9
221.15425	16.9
223.16895	3.5
233.15376	33.4
241.08701	3.9
251.12782	7.2
251.16472	42.1
269.08307	5.2
269.12961	6.6
269.17419	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	269.1748
Annotation	Arteincultone
Peak:m/z	Relative Intensity
53.03942	5.5
55.01860	3.4
55.05518	27.8
57.03445	41.2
57.07073	7.5
61.05312	1.9
67.05511	93.5
69.03403	3.5
69.06740	3.0
69.07076	39.3
71.01333	2.3
71.04986	6.6
71.08642	3.4
71.50941	2.5
71.51331	2.3
79.05074	3.8
79.05501	53.5
81.03417	2.9
81.07063	100.0
83.05007	11.3
83.08636	17.6
85.02895	2.1
85.06532	6.1
88.24039	1.7
91.04971	2.8
91.05490	29.8
93.07052	85.6
95.04969	8.0
95.08614	36.4
97.06533	14.2
99.08095	4.7
100.92171	1.8
105.07026	13.8
107.08604	46.3
109.06532	4.8
109.10149	9.2
111.08099	11.1
113.02380	2.2
116.10984	2.1
117.07035	11.4
117.75196	2.0
119.08588	5.6
121.06451	2.6
121.10156	26.4
123.08038	2.2
123.11742	3.8
128.06169	2.9
131.08545	13.7
133.10152	9.7
135.08029	3.9
135.11711	16.7
139.11151	2.8
143.08571	4.3
145.10124	3.7
147.11646	2.8
149.09618	3.0
149.13275	51.3
149.14380	1.9
155.08513	2.5
157.10110	2.7
159.11703	23.4
161.13344	2.8
167.08521	2.5
177.12752	8.1
181.10095	3.0
185.09694	2.2
185.13188	2.5
195.13857	11.0
199.14857	3.0
205.10167	2.5
213.16431	2.3
223.11360	4.2
227.14288	2.7
269.11801	6.0
269.17325	35.3
269.22360	15.3
291.54532	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1752
Annotation	Arteincultone
Peak:m/z	Relative Intensity
51.97053	1.1
53.03949	4.3
54.81685	0.9
55.01879	4.0
55.05281	1.5
55.05520	18.3
57.03444	39.5
57.07073	4.6
60.32858	0.7
65.03938	1.9
67.05514	73.7
67.34640	0.8
69.07078	30.6
69.41135	6.1
71.05003	6.7
71.08626	0.9
73.02914	1.4
79.05504	45.7
81.03407	3.1
81.07066	100.0
83.04996	9.1
83.08631	18.7
85.06544	5.0
91.05493	21.2
93.07056	73.3
94.07417	0.9
95.04983	6.0
95.08616	23.5
96.57574	0.8
97.06551	15.0
97.10167	1.8
99.04486	1.3
99.08114	4.8
105.04499	1.3
105.07042	8.6
107.08609	35.4
109.06505	2.9
109.08349	0.8
109.10170	4.4
111.08105	10.8
111.11716	1.1
112.16355	0.9
113.06040	1.1
117.07024	9.9
117.87024	1.0
119.08592	4.6
121.06505	2.5
121.10155	21.7
123.08059	1.8
123.11702	2.9
127.07549	1.1
129.06999	0.9
131.08577	11.0
133.10135	9.0
135.08054	2.1
135.11720	9.2
139.11192	3.0
145.10130	1.3
147.11720	2.3
149.09674	1.5
149.13278	51.2
150.13614	1.0
151.11214	1.3
153.08986	0.9
156.67363	0.8
157.10100	1.7
159.11713	20.7
161.00691	0.9
163.70204	0.9
167.14348	1.3
171.11664	1.4
173.13377	1.1
177.12770	9.4
195.13837	12.5
198.86925	0.8
251.19875	0.9
269.11603	1.4
269.17511	35.7
269.22595	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1749
Annotation	Trichotriol
Peak:m/z	Relative Intensity
53.03942	4.4
54.82713	2.0
55.01872	6.3
55.05521	21.9
55.11074	2.0
57.03440	32.9
57.07067	5.5
63.86731	2.0
65.03951	3.2
67.05508	84.8
69.03439	3.0
69.07074	40.2
71.04994	6.1
71.50330	3.9
75.23811	1.9
79.05078	3.3
79.05499	47.6
81.03435	2.9
81.07061	100.0
83.04988	10.7
83.08616	22.4
85.06539	9.9
91.05485	30.9
93.07052	80.9
95.04967	6.4
95.08612	30.4
97.02892	2.5
97.06557	16.5
97.10156	4.9
99.08072	5.5
105.04478	3.9
105.07047	13.4
107.04964	2.4
107.08598	42.6
109.06479	3.0
109.10154	9.0
111.04479	2.1
111.08090	13.5
111.25984	2.3
117.07017	9.5
119.08592	6.2
121.06515	4.1
121.10143	26.7
123.08088	2.5
123.11716	5.5
125.09630	3.9
127.07638	2.7
131.08577	13.7
133.10149	14.3
135.08015	4.1
135.11702	13.2
143.08565	2.5
145.10149	6.3
147.11746	5.5
149.02344	2.3
149.09610	3.7
149.13266	52.7
155.08542	3.2
157.10063	5.8
159.11722	24.4
163.27145	2.6
165.06999	2.6
169.61440	2.2
171.11726	4.6
177.12784	11.8
185.13380	2.7
191.08539	5.5
195.12097	2.9
195.13860	14.8
199.14832	3.8
201.03488	2.7
209.13295	3.2
223.11378	2.6
226.06621	2.1
249.09052	2.4
251.07286	4.6
251.16373	3.1
261.27628	2.6
267.52933	2.9
269.08215	5.0
269.12909	3.7
269.17441	45.4
269.22351	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	269.1749
Annotation	(2beta,5alpha,8beta,10alpha)-9(12)-Capnellene-2,5,8,10-tetrol
Peak:m/z	Relative Intensity
53.03939	3.3
53.58486	2.4
55.01863	2.8
55.05518	18.3
57.03440	2.5
57.07065	9.2
67.05509	19.8
69.03429	6.8
69.07080	18.0
71.04990	10.2
78.15321	2.3
79.05508	19.2
81.07055	25.6
83.04990	12.7
83.08627	29.5
85.06551	13.1
87.04483	3.2
91.05489	19.6
93.07063	28.7
94.79800	2.1
95.04978	7.8
95.08611	25.9
97.06557	6.6
97.10146	3.3
102.10289	2.4
105.07037	35.2
107.04987	4.4
107.08601	44.8
109.06509	9.4
109.10181	21.8
111.04455	3.6
111.08118	4.6
111.11714	3.7
117.07016	7.0
119.08598	37.2
121.06512	7.1
121.10170	21.0
123.08057	9.0
123.11696	7.8
125.05997	3.2
125.09642	5.8
127.11233	2.6
129.07031	3.7
131.08560	13.9
133.06540	3.0
133.10141	28.8
135.08051	10.6
135.11703	100.0
137.05995	5.3
137.09604	7.5
137.13240	10.1
139.07552	3.0
141.06918	2.4
145.10117	20.7
147.07990	7.3
147.11671	10.8
149.09622	9.6
149.13283	5.1
151.07591	3.7
151.11151	4.1
155.08487	3.8
157.10143	5.4
158.07208	2.4
159.11772	14.1
161.09674	3.1
161.13264	7.7
163.07524	3.3
163.11185	5.2
163.14835	3.3
165.09106	3.3
167.10693	9.5
169.10104	3.5
171.11639	3.8
173.09604	5.9
173.13313	7.1
177.09099	3.9
177.12691	3.3
177.16357	2.8
181.06535	2.8
183.15164	2.5
187.11186	6.0
187.14888	11.5
189.12793	23.4
189.16446	2.9
191.10632	5.4
191.14362	4.4
195.10237	5.1
197.13307	3.3
203.14340	2.6
205.12003	2.8
205.15948	6.2
209.05995	17.0
209.09503	3.8
215.10739	2.4
215.14355	12.2
221.15451	2.7
223.16948	20.9
233.11729	3.9
233.15385	28.3
237.09108	4.6
241.08661	3.1
251.16507	31.7
269.04764	2.8
269.08066	5.9
269.11670	4.6
269.17444	18.3
287.84366	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	269.175
Annotation	Arteincultone
Peak:m/z	Relative Intensity
53.03929	5.3
53.37721	1.6
55.01875	3.7
55.05273	1.7
55.05513	21.4
57.03440	34.9
57.07072	5.5
63.61885	1.4
64.46139	1.3
65.03941	2.7
67.05510	76.1
67.36566	1.4
69.07072	31.8
69.59005	10.1
71.04982	6.3
71.08618	1.9
73.02925	1.8
79.05498	47.3
81.03408	1.6
81.07062	100.0
83.04996	8.3
83.08627	17.9
85.06532	5.3
90.54916	1.3
91.04922	1.7
91.05486	24.2
93.07052	72.6
95.04978	8.2
95.08615	25.5
95.36970	1.6
97.06542	17.5
97.10146	3.2
99.08083	4.1
105.07040	9.1
107.08607	37.0
108.74632	1.8
109.06522	3.2
109.10157	5.8
111.08107	9.4
111.11717	1.6
113.09637	3.2
117.07027	8.9
119.08591	3.2
121.10152	23.8
123.11720	3.3
131.08566	10.0
133.10162	9.0
135.08054	2.3
135.11658	10.0
139.11221	1.7
145.10048	1.7
149.13272	54.8
159.11691	20.1
177.12793	9.8
195.13820	11.0
199.14897	1.7
203.80978	1.4
255.70947	1.4
269.17432	37.5
269.22672	5.5
270.27927	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	269.1748
Annotation	Arteincultone
Peak:m/z	Relative Intensity
50.84156	1.2
53.03933	2.9
55.01852	4.2
55.05515	18.0
57.03441	36.0
57.07053	4.7
65.03928	3.5
67.05508	77.1
69.03425	1.4
69.07071	33.2
69.28769	2.2
69.29173	10.4
71.01341	1.5
71.04997	6.7
79.05496	47.6
81.03407	2.5
81.07059	100.0
83.04987	12.3
83.08155	1.8
83.08621	21.8
85.06537	6.4
91.05480	21.6
93.07047	79.4
95.04996	7.1
95.08067	2.1
95.08617	27.2
97.06533	15.4
97.10132	2.1
99.08067	5.1
105.07039	7.8
107.04958	2.6
107.07881	2.4
107.08597	41.3
109.06509	3.3
109.10171	5.8
111.08077	9.3
113.09636	2.3
117.07050	10.2
119.08547	3.7
121.06507	1.5
121.10147	23.6
123.08044	1.5
123.11698	2.1
127.07574	2.3
131.08542	10.4
133.10115	9.0
135.08058	2.2
135.11693	10.2
139.11128	2.6
147.11652	2.2
149.13266	51.4
157.10083	1.6
159.10481	1.5
159.11705	18.4
167.14285	1.7
177.12761	9.6
195.13806	12.0
234.47754	1.2
269.17462	43.8
269.22571	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	269.1748
Annotation	Arteincultone
Peak:m/z	Relative Intensity
53.03928	5.0
55.01865	5.3
55.05278	1.4
55.05514	19.4
57.03159	2.4
57.03439	36.4
57.07085	8.3
65.03934	2.7
67.05509	76.0
67.88116	1.6
68.99779	5.5
69.03417	1.3
69.07070	34.4
70.60845	1.2
71.01365	1.6
71.04982	7.0
71.08598	1.5
79.05497	44.5
81.03383	2.6
81.07059	100.0
83.04991	11.3
83.08620	19.3
85.06537	5.1
91.05481	23.1
93.07048	77.9
95.04961	4.6
95.08067	2.0
95.08616	28.0
97.06538	13.4
97.10146	2.1
99.08095	3.0
103.15600	1.4
105.07064	8.2
107.08601	35.8
107.44696	1.3
109.06517	2.6
109.10138	4.9
111.00816	11.2
111.08096	10.5
113.05995	1.4
113.09675	1.5
117.07035	11.1
119.08580	2.6
121.06509	2.4
121.09339	1.9
121.10152	25.1
123.11682	2.5
131.08583	10.8
133.10149	9.5
135.08034	2.7
135.11682	10.1
139.00247	13.7
139.11169	2.9
143.08594	1.5
147.11652	2.2
149.13263	50.3
157.01326	11.4
159.11696	19.0
163.14824	1.4
163.43073	1.5
177.12788	9.7
195.13795	13.0
201.69333	1.3
203.42712	1.3
214.98499	1.3
269.17447	33.5
269.22632	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	269.1387
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	9.9
53.04739	6.8
55.05503	28.3
57.03421	12.1
57.07037	6.5
67.05513	68.5
69.03422	23.3
69.07059	29.2
71.04988	27.4
71.51601	11.8
79.05491	60.9
81.03423	12.8
81.07068	100.0
83.04990	39.6
83.08619	15.6
85.06553	45.2
86.09785	7.5
91.05495	70.0
93.07048	92.5
94.48199	6.7
95.04971	33.1
95.08615	94.1
97.06524	24.0
99.04440	19.4
101.05996	19.5
103.05477	6.9
105.07044	75.0
107.04934	16.7
107.08603	71.8
109.06512	91.9
109.10174	53.1
111.04440	29.9
111.08080	19.8
112.85777	7.4
113.09637	13.6
117.07015	26.7
119.08573	42.8
121.06544	18.6
121.10180	59.6
123.04465	10.4
123.08079	21.9
123.11737	15.6
125.05980	12.1
125.09615	17.6
127.07585	9.2
127.11166	16.1
128.06253	10.0
129.07013	12.2
131.05035	8.5
131.08556	49.1
133.06523	12.9
133.10126	43.3
135.08092	37.9
135.11691	26.6
137.05998	52.6
137.09622	18.7
139.07529	13.4
139.11188	11.6
143.08565	14.8
145.06409	16.9
145.09183	10.0
145.10139	81.1
147.08040	15.2
147.11685	23.5
149.09598	21.1
149.13263	15.1
151.03755	7.0
151.07570	22.0
151.11180	13.0
153.09096	14.8
153.12761	12.5
155.08543	10.6
157.10159	20.9
159.11655	38.2
161.09627	14.0
161.13281	16.6
163.11179	29.1
165.06969	8.3
165.09122	10.8
167.10683	19.3
169.08641	15.2
169.10098	9.4
171.11737	13.2
173.09613	50.1
173.13313	15.6
177.12849	8.7
180.57240	6.4
181.06432	10.6
181.12248	10.1
187.11188	19.0
187.14790	12.6
189.12724	9.4
191.10707	65.9
191.14316	7.9
195.06516	13.9
203.14262	7.3
205.12273	19.7
205.15797	13.8
209.05989	51.3
209.11679	17.5
213.07599	11.5
213.16458	11.7
215.10690	15.8
215.14272	16.3
221.15399	36.5
233.11717	29.4
233.15379	26.7
237.09113	18.9
251.12784	28.6
251.16528	41.1
269.08191	20.7
269.11798	26.3
269.17279	17.1
269.22665	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	269.1388
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82060	5.2
55.01884	6.0
55.05507	21.0
60.75567	4.5
61.95408	4.7
67.05508	45.9
67.48540	4.1
68.24873	5.0
69.03427	6.9
69.07071	16.8
69.21185	49.5
71.04990	17.5
75.35693	5.8
79.05514	39.0
81.07062	79.3
83.04994	39.6
83.08619	13.8
85.06573	31.3
87.04475	5.5
89.73332	4.9
91.05507	33.1
93.07068	57.2
95.04961	22.6
95.08611	53.2
97.06551	33.4
99.04465	14.0
105.07053	57.9
107.04980	16.9
107.08609	72.3
109.06522	18.7
109.10181	35.4
111.04418	5.8
111.08119	12.7
111.10981	5.4
111.11742	5.8
113.06036	9.7
113.09687	6.4
117.07037	21.3
119.04998	7.4
119.08594	32.2
121.06513	25.0
121.10124	29.2
123.08075	14.2
123.11752	9.6
125.05998	16.7
125.09647	100.0
127.07578	11.0
130.07784	7.7
131.08580	19.8
133.06528	8.1
133.10135	22.9
135.08051	14.9
135.11710	23.2
137.05997	14.1
137.09639	10.4
139.07578	8.5
139.11145	8.7
139.27371	5.0
143.08594	11.7
145.06467	8.3
145.10147	54.8
147.08122	7.1
147.11694	11.7
149.09654	11.1
151.07545	12.2
151.11122	6.9
155.51434	4.9
156.09354	5.1
157.10023	9.2
159.08127	6.9
159.11670	29.1
161.13249	9.8
163.11179	62.9
163.14969	5.8
165.09189	7.3
167.10699	5.9
169.10150	9.1
173.09618	24.3
173.13327	8.3
179.08479	5.4
181.12259	15.6
187.11230	25.1
187.14813	8.1
191.10713	20.0
205.12311	16.3
205.15938	7.0
209.05980	18.5
209.11728	11.0
215.10712	23.5
215.14305	12.2
221.15369	28.3
233.11748	17.8
233.15414	32.5
237.09215	9.8
251.12819	8.3
251.16377	28.0
269.08170	9.1
269.11935	9.2
269.17575	23.6
269.22681	14.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.1044
Annotation	Adenosine
Peak:m/z	Relative Intensity
54.90042	0.1
55.01890	0.2
56.96559	0.3
57.03429	0.5
57.70266	0.1
69.03429	0.2
69.59703	1.1
70.06614	0.2
70.62312	0.1
71.01340	0.3
73.02938	0.2
85.02905	0.6
94.04075	0.5
97.02882	0.3
98.20720	0.2
98.97604	0.4
119.03587	1.1
120.08121	0.1
136.06198	100.0
137.04568	0.4
137.06548	0.3
150.05486	0.3
151.05832	0.3
156.03325	0.2
168.03343	0.2
171.94614	0.2
172.19104	0.2
186.04437	0.5
190.94676	0.2
268.07632	0.3
268.10416	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	269.1388
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82060	5.2
55.01884	6.0
55.05507	21.0
60.75567	4.5
61.95408	4.7
67.05508	45.9
67.48540	4.1
68.24873	5.0
69.03427	6.9
69.07071	16.8
69.21185	49.5
71.04990	17.5
75.35693	5.8
79.05514	39.0
81.07062	79.3
83.04994	39.6
83.08619	13.8
85.06573	31.3
87.04475	5.5
89.73332	4.9
91.05507	33.1
93.07068	57.2
95.04961	22.6
95.08611	53.2
97.06551	33.4
99.04465	14.0
105.07053	57.9
107.04980	16.9
107.08609	72.3
109.06522	18.7
109.10181	35.4
111.04418	5.8
111.08119	12.7
111.10981	5.4
111.11742	5.8
113.06036	9.7
113.09687	6.4
117.07037	21.3
119.04998	7.4
119.08594	32.2
121.06513	25.0
121.10124	29.2
123.08075	14.2
123.11752	9.6
125.05998	16.7
125.09647	100.0
127.07578	11.0
130.07784	7.7
131.08580	19.8
133.06528	8.1
133.10135	22.9
135.08051	14.9
135.11710	23.2
137.05997	14.1
137.09639	10.4
139.07578	8.5
139.11145	8.7
139.27371	5.0
143.08594	11.7
145.06467	8.3
145.10147	54.8
147.08122	7.1
147.11694	11.7
149.09654	11.1
151.07545	12.2
151.11122	6.9
155.51434	4.9
156.09354	5.1
157.10023	9.2
159.08127	6.9
159.11670	29.1
161.13249	9.8
163.11179	62.9
163.14969	5.8
165.09189	7.3
167.10699	5.9
169.10150	9.1
173.09618	24.3
173.13327	8.3
179.08479	5.4
181.12259	15.6
187.11230	25.1
187.14813	8.1
191.10713	20.0
205.12311	16.3
205.15938	7.0
209.05980	18.5
209.11728	11.0
215.10712	23.5
215.14305	12.2
221.15369	28.3
233.11748	17.8
233.15414	32.5
237.09215	9.8
251.12819	8.3
251.16377	28.0
269.08170	9.1
269.11935	9.2
269.17575	23.6
269.22681	14.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.0818
Annotation	ICM 0201
Peak:m/z	Relative Intensity
53.03954	2.0
56.00307	0.3
69.07057	0.3
69.84441	1.4
71.04995	0.3
72.08220	0.3
77.03946	0.9
78.44352	0.3
78.77392	0.3
79.05499	2.2
81.03466	0.3
81.07044	0.6
83.04987	0.3
85.06540	0.3
91.05464	0.3
92.02664	0.8
93.07050	0.7
95.04971	2.0
97.06523	0.3
105.03394	0.7
105.04517	1.2
105.07088	0.4
107.04964	0.4
107.08617	0.5
114.55122	0.3
114.81874	0.3
120.02075	0.4
124.07609	0.6
127.14200	0.3
133.10107	0.3
135.04430	100.0
136.04791	0.8
136.06224	0.6
171.45335	0.3
222.15633	0.4
232.14369	0.3
250.14983	0.4
268.08279	0.5
268.16071	0.4
268.19080	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1593
Annotation	Helibisabonol B
Peak:m/z	Relative Intensity
53.03934	3.4
55.01863	7.1
55.05515	9.2
59.04979	2.6
67.05515	13.8
69.03439	12.5
69.03754	2.4
69.07073	8.5
71.04974	6.3
71.51645	3.1
79.05497	13.0
81.03432	2.7
81.07059	18.0
83.04981	6.4
83.08630	4.0
85.06531	5.5
91.05489	19.0
92.05002	4.6
93.07040	17.5
95.04962	7.3
95.08619	16.4
97.06525	7.3
99.04468	2.5
103.05448	2.5
105.03442	1.8
105.07037	33.2
107.04966	2.9
107.08606	21.1
109.06535	9.3
109.10165	8.1
111.04427	3.1
111.08089	3.0
115.05419	2.3
117.07008	6.0
119.08590	25.9
120.04472	28.3
121.06534	16.7
121.10158	20.9
123.08089	14.5
123.11704	3.7
125.05991	5.2
125.09641	14.9
127.03931	2.1
128.06233	2.9
129.06998	6.3
131.08577	20.6
132.05653	2.1
133.06490	8.9
133.10152	15.8
135.04442	3.2
135.08069	14.9
135.11691	4.7
137.05968	2.6
137.09659	3.2
139.11194	2.9
141.06982	3.6
142.07780	3.2
143.08566	11.4
144.05679	2.5
145.10127	16.5
146.03633	7.0
147.08064	19.7
147.11676	14.4
149.06024	2.0
149.09631	34.1
151.07596	3.7
151.11179	1.9
153.09172	2.3
156.09381	3.7
157.10147	7.3
159.08096	22.7
159.11697	6.3
161.05984	10.3
161.09660	19.5
161.13287	11.8
163.07593	3.3
163.11223	7.0
165.09120	3.2
165.12776	10.5
167.07043	2.2
167.10683	3.2
171.11699	9.3
173.09636	4.8
173.13275	4.7
175.07512	1.7
175.11220	10.1
175.14842	8.3
177.09125	100.0
178.06264	22.2
179.10661	6.3
181.08635	2.9
185.13266	13.6
187.11234	3.4
189.09227	2.6
189.12733	25.2
191.10948	2.2
191.14317	5.0
193.08646	11.2
195.10158	3.8
201.12785	3.3
203.10690	3.0
203.14337	19.6
205.10423	1.7
207.10120	3.2
207.13820	5.8
213.12785	4.0
219.13821	9.4
221.11743	3.9
221.15405	9.9
231.10245	3.6
231.13846	19.3
237.14847	17.2
249.11197	4.1
249.14873	49.1
250.15317	2.1
267.15952	44.8
267.19263	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	267.1593
Annotation	Rugosal A
Peak:m/z	Relative Intensity
51.76900	1.3
53.03936	4.5
55.01863	3.7
55.05312	1.1
55.05516	14.0
57.03439	18.8
57.07063	1.9
60.75938	1.2
65.03936	1.8
67.05510	37.3
67.62167	1.3
69.03439	2.2
69.07072	15.8
69.47779	3.7
69.48186	5.6
71.04993	3.5
79.05494	30.5
81.03423	85.5
81.07061	82.3
83.04979	11.2
83.08622	16.3
85.06540	4.5
91.05485	32.9
91.92183	1.2
93.07056	14.5
95.04975	17.3
95.08614	28.3
97.06523	5.3
97.10164	2.6
98.21488	2.7
99.08096	3.5
105.07036	36.5
107.04951	3.9
107.08601	12.8
109.06540	6.7
109.10146	4.6
111.08070	6.6
117.06985	1.6
119.07812	2.3
119.08589	27.8
121.10143	17.3
123.08057	3.7
123.11720	17.5
129.07008	7.1
131.08574	7.4
133.06488	2.5
133.10135	6.1
137.09595	1.5
137.13235	2.4
142.07779	1.5
145.10126	2.0
147.08029	2.3
147.11697	48.3
147.55742	1.4
149.09599	2.3
157.10156	9.0
165.12770	18.4
175.11197	8.3
193.12265	18.3
211.13319	1.8
249.14886	1.8
267.15930	100.0
268.16547	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1593
Annotation	(+)-5(6)-Dihydro-6-hydroxyterrecyclic acid A
Peak:m/z	Relative Intensity
53.10803	1.0
55.01880	5.9
55.05519	5.0
57.03442	0.9
57.07069	1.7
62.31777	0.8
62.51844	1.0
67.05508	7.7
69.03436	8.3
69.07061	3.4
70.26397	2.5
70.26778	2.0
71.04980	3.1
72.08132	0.9
74.06059	1.0
77.46384	0.8
79.05500	8.3
81.03410	2.2
81.07066	14.1
83.04990	7.6
83.08630	2.0
85.02887	1.5
85.06538	3.6
90.31827	1.0
91.05493	12.3
93.07045	9.9
95.04971	3.5
95.08615	10.3
97.06538	4.7
98.20901	1.1
99.04447	1.5
99.08091	1.3
103.05479	1.1
105.07040	13.6
107.04949	2.6
107.08602	12.4
109.06528	9.4
109.10146	5.3
111.04446	1.3
111.08100	4.3
113.05999	1.1
115.05451	1.2
117.07027	2.8
119.08588	14.1
121.06504	11.3
121.10152	13.6
123.04404	1.2
123.08079	10.6
123.11710	1.8
125.06020	3.1
125.09648	4.1
127.07554	2.0
128.06213	1.7
129.06996	2.9
131.08574	16.1
133.06480	1.8
133.10158	10.3
134.05896	1.0
135.04431	1.5
135.08067	9.6
135.11685	2.3
137.05952	5.6
137.09625	2.6
137.13208	0.9
138.61137	1.1
139.07565	1.0
139.11128	1.8
141.06995	2.2
142.07765	2.3
143.08568	3.2
144.05666	2.5
145.06482	2.1
145.10156	5.3
147.08044	7.6
147.11690	9.3
149.09630	29.9
151.07568	2.2
151.11200	1.5
153.09131	1.8
155.08463	1.3
156.09306	1.4
157.10110	4.1
159.08066	21.0
159.11716	3.4
161.06018	1.0
161.09612	7.4
161.13310	7.9
162.06760	0.9
163.07521	2.0
163.11168	3.1
165.05510	1.5
165.09132	1.4
165.12779	9.8
167.07109	1.0
167.10670	2.1
171.08139	1.3
171.11694	8.9
173.09688	4.8
174.10434	0.9
175.11168	6.8
175.14825	2.4
177.09119	100.0
179.10658	1.7
181.08769	1.1
183.08078	1.1
185.13252	6.2
187.11224	2.6
187.14648	1.3
189.09174	2.1
189.12773	20.8
191.10651	2.2
193.08559	1.2
193.12265	1.9
195.10149	3.2
195.11737	1.8
201.12793	1.3
203.10620	2.0
203.14320	7.0
203.17932	1.1
207.13882	4.6
213.12758	4.1
219.13792	1.1
221.11752	2.8
221.15396	2.0
231.10291	1.2
231.13821	13.8
235.07388	1.1
249.11212	3.9
249.14873	30.4
267.09827	1.2
267.13037	1.5
267.15924	26.0
267.19266	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.098
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.6
55.01867	0.2
55.05497	0.3
56.96564	1.5
57.03439	0.3
60.95870	0.1
61.02918	0.2
61.04042	0.1
62.39305	0.2
62.92355	0.1
65.03937	0.3
67.05507	2.3
69.03425	0.6
70.06594	0.3
71.01352	0.4
71.11995	0.4
72.08163	0.4
73.02933	0.3
73.06555	0.3
79.05496	0.4
80.51678	0.1
81.03419	0.4
81.04523	0.9
81.07048	0.2
84.08144	0.6
84.96037	0.4
85.02917	0.7
86.18153	0.2
87.04506	0.2
94.06577	10.1
95.04961	0.3
96.04479	0.2
97.02911	0.8
98.97595	3.2
99.04481	0.2
100.03987	1.6
101.00883	0.2
101.02402	0.4
103.00017	0.2
103.00659	0.8
103.01258	0.2
106.06564	3.2
109.02937	0.2
110.97581	0.5
112.07625	0.2
113.00846	0.2
116.98649	0.6
118.05008	0.9
119.01915	0.2
120.08092	0.7
121.01682	0.8
122.06042	7.8
122.07135	1.1
123.06827	0.2
123.07949	0.2
127.03892	0.2
128.98604	0.3
131.01862	0.2
133.01740	0.2
135.03209	0.2
136.06201	2.5
137.04817	0.2
143.00137	0.2
143.01942	0.2
145.01756	0.3
147.03273	0.3
148.03891	0.2
150.05518	100.0
151.03966	0.1
151.05881	0.9
155.04649	0.5
158.99704	0.6
159.03267	0.5
161.04582	0.1
162.99013	0.2
163.02834	0.2
163.08736	0.2
168.06609	1.6
168.98180	0.2
170.99556	0.2
173.01195	0.3
177.00752	0.3
177.04245	0.7
186.04688	0.3
205.10835	1.6
219.01828	0.2
225.06470	0.5
267.07562	0.6
267.09796	3.9
267.13434	0.3
271.74301	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.144
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	2.8
55.01883	2.0
55.05500	2.9
56.05035	16.2
57.03437	6.4
58.06599	3.2
61.02924	2.0
65.14413	1.7
67.05508	7.0
69.03426	7.4
69.07063	8.5
69.23762	7.6
69.24188	9.9
70.06576	4.0
71.04993	2.9
72.08150	4.7
73.02931	2.1
74.06087	100.0
79.05493	8.8
81.03426	4.0
81.07064	7.9
83.04971	4.7
84.04501	4.2
84.08161	2.6
85.02904	19.8
87.08102	16.3
91.05476	11.1
93.07042	8.3
95.04961	4.2
95.08598	3.7
97.02896	8.6
97.06513	3.0
98.97586	5.9
103.05458	4.3
105.03405	2.2
105.07023	12.6
107.04981	11.5
107.08601	4.9
109.02891	5.8
109.06516	3.7
117.07006	3.6
119.04992	1.9
119.08611	4.3
120.04433	2.3
120.08115	62.4
121.06504	8.1
121.10226	2.0
123.08059	3.8
127.03946	3.3
128.06197	1.9
129.07031	3.0
131.04929	2.4
131.08580	4.8
133.06526	2.4
133.10130	3.9
135.04440	4.5
135.08118	3.8
136.06221	3.1
136.07635	2.1
141.00021	1.9
141.07034	2.4
143.08571	5.7
145.05009	2.4
145.10107	4.3
147.08060	5.8
149.05978	3.4
150.05519	3.6
157.10175	3.1
159.08075	2.6
159.11719	2.6
160.50456	1.8
161.06091	2.4
161.09631	5.7
161.13350	2.6
166.08662	38.1
175.07550	1.9
175.11122	3.6
185.13277	4.1
189.09138	3.1
189.12788	2.1
193.08621	2.4
203.14339	2.7
205.10780	3.0
221.12831	7.2
231.13806	5.8
232.75409	2.0
235.10895	1.9
241.42137	2.0
249.12341	8.1
249.14996	8.4
267.10083	2.8
267.13391	12.5
267.16049	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	266.1027
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	0.7
60.04534	14.2
65.03941	1.0
69.75801	3.7
70.02960	6.4
73.06558	1.5
73.32591	0.6
81.07044	1.1
82.07380	0.7
83.46989	0.6
88.04002	60.7
91.05490	81.7
92.05826	0.7
93.07046	0.7
95.08633	0.9
95.27068	0.5
98.20854	1.2
102.05553	100.0
113.02444	0.8
118.07445	0.8
119.08651	0.6
120.08112	7.6
120.08865	1.0
130.05026	2.4
141.36569	0.7
145.55078	0.7
146.06018	2.9
148.06062	54.8
166.08655	2.7
203.46223	0.6
206.08218	2.5
220.09720	7.9
248.09209	1.5
266.10178	0.9
266.14185	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.1235
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	10.4
60.11943	2.3
60.13519	2.2
61.93846	1.9
69.03419	2.9
69.70319	10.8
71.08618	2.6
78.03304	2.3
79.05447	4.1
79.95871	2.3
81.07060	25.3
83.04975	4.5
83.08626	6.6
85.06551	5.2
87.00831	100.0
88.13289	2.1
91.57185	2.1
99.08093	11.6
101.05965	3.6
105.01867	71.4
105.21860	3.2
107.28098	2.4
109.06499	14.4
115.05398	2.0
117.09134	5.7
127.07573	41.5
145.08609	9.0
168.06587	3.3
203.09068	5.8
231.08641	76.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.0364
Annotation	Unknow
Peak:m/z	Relative Intensity
58.63643	0.1
69.01727	0.1
80.30517	0.1
82.99828	0.8
101.00890	7.4
102.00969	0.3
116.98848	0.4
119.01933	9.5
120.02026	0.4
122.97795	0.2
128.82132	0.1
129.15839	0.1
134.07487	0.1
134.99898	0.8
137.02960	0.9
140.98836	1.8
142.03482	0.1
153.00958	0.1
157.01942	0.1
158.03586	0.2
158.99908	5.5
159.99986	0.2
165.99617	0.2
175.03049	0.4
176.04672	0.2
177.00969	21.2
177.93346	0.2
178.01117	0.5
179.95003	0.1
182.99895	1.3
193.04117	0.3
195.01933	0.2
199.03026	0.6
201.00949	4.2
201.02499	0.2
202.01057	0.2
202.20229	0.1
203.95364	0.1
217.04114	3.5
219.02028	25.6
219.94531	0.5
220.02216	1.0
221.02219	0.2
224.06740	0.1
225.00870	2.1
225.02785	0.1
234.00780	0.6
237.41182	0.1
237.95662	0.2
242.03609	0.4
242.96220	0.3
243.02013	14.7
244.02151	0.4
261.03082	100.0
262.03235	3.1
263.03470	0.4
266.00369	0.3
266.03604	0.4
266.07913	0.8
269.17001	0.1
275.04712	0.1
284.04639	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1437
Annotation	[3aR-(3aalpha,6alpha,8abeta,9aalpha)]-3a,4,6,7,8,8a,9,9a-Octahydro-6-hydroxy-5-(hydroxymethyl)-8a-methyl-3-methylenenaphtho[2,3-b]furan-2(3H)-one
Peak:m/z	Relative Intensity
53.03933	4.9
55.01864	8.1
55.05515	20.6
57.03434	6.6
57.07075	3.6
65.03929	4.7
67.05506	25.9
67.15380	2.8
69.03418	11.5
69.07062	12.5
70.80067	6.5
71.01356	3.4
71.05000	6.4
72.08159	8.1
72.26053	2.8
79.05502	26.4
81.03403	4.9
81.07058	30.4
83.04494	5.1
83.04982	77.1
85.02912	5.3
85.06544	6.9
91.05480	40.1
93.07043	36.0
95.04983	19.1
95.08614	24.8
97.06512	15.8
99.08064	3.0
103.05543	3.5
105.03383	11.1
105.07040	53.2
107.04942	9.1
107.08595	41.2
109.06533	25.0
109.10150	7.1
111.04461	6.7
111.08093	30.5
114.00855	3.4
115.05472	6.3
116.06200	2.8
116.34940	2.7
117.07020	25.9
119.04942	6.9
119.08569	38.0
120.08132	6.3
121.06507	22.2
121.10115	13.4
121.10892	3.3
123.04445	5.4
123.08098	20.4
125.05946	3.9
125.09631	11.5
128.06270	4.5
129.07037	17.4
131.04921	5.9
131.08577	35.4
133.06491	9.8
133.10144	22.3
135.08023	23.5
135.11708	3.9
137.05952	6.5
137.09602	7.9
139.07576	4.1
141.06931	7.5
142.07800	5.9
143.08546	21.3
144.09372	7.9
144.39983	3.4
145.06491	20.0
145.10141	27.4
147.08052	23.6
147.11710	7.7
148.08859	4.0
149.09598	9.3
151.07533	10.0
153.06955	3.8
153.09027	6.7
155.08539	11.8
156.09344	4.4
157.10132	17.6
158.07227	6.0
158.10922	3.9
159.08046	22.4
159.11702	28.2
161.05978	3.8
161.09599	16.8
161.13304	5.2
163.07538	8.5
163.11168	7.1
165.06996	7.1
165.09122	8.7
167.08553	3.4
168.09358	14.5
171.08052	5.8
171.11771	3.7
173.05949	9.8
173.09563	22.5
173.13286	24.2
175.07567	13.6
175.11163	29.2
175.14749	3.8
177.09097	6.8
177.12694	4.8
178.07599	3.7
181.08525	9.5
181.10023	4.0
183.11714	32.9
186.10435	5.1
187.07536	12.1
187.11163	15.1
189.09042	5.0
189.12732	8.2
190.06226	4.6
190.07794	8.5
191.07001	6.2
191.08560	34.6
191.10506	6.7
191.14339	4.6
193.08560	10.1
193.10132	7.0
199.11142	4.0
201.12746	49.9
203.10713	6.1
205.06613	4.7
205.08566	7.2
205.12213	10.4
207.10104	3.5
211.11229	10.7
217.12239	16.7
218.07341	5.6
219.06038	2.9
219.08092	56.3
219.13828	28.5
229.12233	83.1
237.09062	13.8
247.07573	69.2
247.13278	100.0
247.17090	4.5
265.08597	62.6
265.11258	3.6
265.14328	76.7
265.17444	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	265.1437
Annotation	[3aR-(3aalpha,6alpha,8abeta,9aalpha)]-3a,4,6,7,8,8a,9,9a-Octahydro-6-hydroxy-5-(hydroxymethyl)-8a-methyl-3-methylenenaphtho[2,3-b]furan-2(3H)-one
Peak:m/z	Relative Intensity
53.03942	7.3
55.01860	11.0
55.05506	12.6
57.03434	6.6
61.02927	5.1
64.89160	3.1
67.05511	29.9
69.03412	10.5
69.07063	14.2
71.04997	12.8
72.08149	12.8
78.71570	3.3
79.05495	40.0
81.07072	37.2
83.04990	24.9
85.06543	8.2
91.05485	45.6
93.07051	50.5
95.04969	29.9
95.08617	35.3
97.06544	20.7
98.21552	6.1
99.04470	3.9
103.05465	14.9
104.05801	13.6
105.07037	54.4
107.04963	16.3
107.08609	28.2
109.02893	3.7
109.06520	47.7
109.10194	8.1
110.07378	3.6
111.04430	7.0
111.08076	9.5
115.05479	16.3
115.55367	3.5
117.07024	29.8
119.04969	5.0
119.08586	67.0
119.09457	4.3
120.08080	6.4
120.98045	3.5
121.06507	21.9
121.10162	13.3
122.07157	8.5
123.04457	8.6
123.08103	31.2
124.07624	3.8
125.05995	15.7
125.09690	4.8
127.03923	3.9
128.06219	19.3
129.07001	24.9
130.07805	7.1
131.04933	23.2
131.08588	47.4
132.05263	34.3
133.06491	13.8
133.10127	27.7
135.04434	5.3
135.08073	31.3
135.11707	8.6
137.05975	14.5
137.09619	8.6
139.07585	5.1
141.06979	12.1
142.07780	15.7
143.08572	69.8
144.05722	3.9
144.09329	6.9
145.06470	23.3
145.10129	47.0
147.08028	38.2
147.11707	9.5
149.09631	12.2
149.13342	4.5
151.07587	14.4
153.05504	4.7
153.07005	4.2
154.07756	7.4
155.07071	8.5
155.08586	10.9
156.09288	5.3
157.10139	20.7
158.07254	8.0
158.10896	5.8
159.08058	29.5
159.11703	46.6
160.08899	4.0
161.05978	4.6
161.09668	52.7
163.11226	17.8
165.09167	7.0
168.09386	7.2
169.10115	25.3
171.08076	25.5
171.11662	5.6
172.08806	9.2
173.06015	7.6
173.09619	24.0
173.13287	23.9
175.07549	8.4
175.11208	15.9
177.09087	10.1
177.12804	15.0
181.08643	7.4
181.10164	4.7
183.10255	4.9
183.11685	29.0
185.09621	10.5
185.13211	9.1
186.10434	5.1
187.07590	9.8
187.11191	90.3
187.14833	5.6
189.09129	67.5
189.12720	5.2
191.10608	9.2
191.63599	3.3
193.10263	4.6
194.07208	4.5
201.09116	14.3
201.12758	65.3
203.10648	7.7
205.08604	7.2
205.12254	43.0
207.10095	4.9
211.11226	17.1
217.08696	4.6
217.12210	5.7
219.13782	33.7
229.08701	6.3
229.12248	99.4
233.05772	4.0
247.09612	4.6
247.13300	100.0
247.17030	6.1
250.06224	4.2
265.08417	9.9
265.11230	14.1
265.14420	69.1
265.18042	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	265.1439
Annotation	Hydroxyanthecotulide
Peak:m/z	Relative Intensity
51.02373	0.9
51.16218	0.8
53.03945	2.7
55.01879	5.2
55.05518	6.5
57.03439	3.9
57.07076	1.1
59.05005	1.0
65.03966	3.9
67.05186	1.3
67.05518	20.4
68.99802	1.0
69.03426	3.2
69.07081	10.1
70.75885	0.8
71.05019	4.7
71.18181	0.7
71.18510	1.4
77.03938	1.6
79.05069	1.6
79.05505	20.6
81.03407	3.3
81.07071	13.8
83.05004	7.3
83.08616	1.6
85.06539	2.1
91.05492	26.7
93.03421	1.0
93.06486	1.4
93.07060	27.1
94.07848	1.1
95.04974	9.3
95.08620	16.5
95.92560	0.7
97.02908	1.7
97.06546	4.8
97.10190	1.1
103.05457	1.2
105.07049	27.4
107.04980	8.5
107.08611	61.3
108.09420	7.0
109.02884	2.3
109.06549	9.5
109.10187	7.1
111.04449	4.1
111.08099	2.5
115.05447	3.5
117.07045	12.1
119.04964	1.3
119.06087	1.8
119.07800	1.5
119.08599	18.6
121.02940	1.1
121.06516	12.3
121.10172	13.2
123.04424	1.7
123.08090	32.5
123.11710	2.5
125.02362	3.3
125.05991	2.5
125.09651	50.3
127.03955	6.9
128.06250	1.3
129.06996	3.0
130.07829	1.2
131.04919	2.3
131.08597	11.1
133.06526	5.4
133.10147	12.8
135.08073	19.9
135.11678	4.5
137.06012	3.5
137.09616	3.3
139.03908	2.0
139.07576	2.7
141.05499	1.5
141.06992	1.5
142.07826	1.0
143.03403	1.0
143.08566	4.6
144.05702	0.9
144.09352	1.6
145.06546	4.8
145.10149	10.1
146.07356	0.9
147.04376	1.2
147.08087	2.6
147.11722	4.4
149.06018	1.2
149.09663	3.8
151.07578	3.0
151.11205	1.0
153.05482	2.8
155.08553	1.0
156.09393	1.8
157.06566	1.3
157.10120	2.5
158.10934	2.2
159.08089	7.6
159.11717	7.0
161.05931	0.9
161.09602	4.2
161.13301	1.0
163.07565	6.6
163.11205	2.9
163.14702	0.9
167.07092	1.8
168.09354	1.9
169.10156	1.4
171.11678	2.3
172.08853	1.1
173.05959	2.3
173.09607	3.4
173.13290	10.9
175.07626	1.3
175.11171	2.1
177.09100	2.3
177.12778	1.8
179.10707	1.5
181.08623	100.0
183.11652	1.6
185.13268	1.7
186.10344	1.1
187.07561	1.2
187.11256	4.9
188.11977	1.9
189.09122	1.8
189.12769	0.9
191.07030	1.9
191.10683	6.7
191.14337	2.9
195.10187	10.2
199.11200	7.3
201.12790	8.2
203.10657	1.6
204.28468	0.8
205.08661	3.3
205.12238	0.9
207.10062	1.1
209.09679	0.8
209.11624	1.2
211.11205	2.1
219.13809	10.0
221.09679	1.3
229.12239	9.5
233.36790	1.0
237.14870	1.2
238.09760	0.8
247.13335	36.8
265.08517	1.6
265.14380	7.5
265.18039	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1436
Annotation	Ivangulinic acid
Peak:m/z	Relative Intensity
50.03746	2.3
50.77456	2.3
53.03952	4.1
55.01872	8.3
55.05515	21.2
57.03451	5.0
57.07080	4.3
59.04991	2.9
65.03938	5.7
67.05508	43.3
69.03426	9.7
69.07069	24.1
70.66279	4.4
70.66656	6.1
71.05003	4.8
74.55769	2.5
79.05499	21.5
80.68029	2.4
81.07066	29.3
83.04984	23.9
83.08617	8.5
85.06537	7.8
91.05488	42.1
93.07048	55.8
93.57462	2.7
95.04959	19.7
95.08611	100.0
97.06528	9.9
97.10195	3.4
99.04463	4.0
103.05460	6.4
105.03400	6.6
105.07031	50.4
107.04919	3.9
107.08589	47.1
109.02828	3.4
109.06509	17.5
109.10152	18.1
111.04424	6.3
111.08089	8.7
113.06054	3.8
115.05470	11.7
117.07018	20.5
119.04938	27.6
119.08591	60.9
121.06516	11.3
121.10149	36.3
122.07179	9.8
123.04437	6.8
123.08076	55.5
123.11727	9.8
125.05977	4.5
125.09632	5.5
128.06218	10.6
129.07027	7.5
131.04965	5.0
131.08591	43.0
133.06490	8.9
133.10147	23.7
135.04454	3.1
135.08049	17.6
135.10811	2.5
135.11705	15.2
137.06004	5.0
137.09590	16.1
137.13284	3.2
139.07539	7.3
141.06985	6.0
142.07770	5.8
143.08559	17.1
144.04720	3.3
144.05740	4.2
145.06512	19.6
145.10144	27.5
147.08063	19.7
147.11694	41.2
149.05992	8.1
149.09673	15.5
149.13263	18.7
151.07585	11.9
155.08565	7.8
156.09334	2.7
157.06572	3.4
157.10179	10.4
158.10884	4.3
159.08064	23.4
159.11710	19.1
161.06046	7.8
161.09659	15.2
161.13287	6.6
163.07553	9.2
163.11211	5.2
163.14822	5.0
165.09128	14.1
165.12782	4.5
168.09384	4.5
169.08665	6.1
171.08096	3.6
171.11749	6.7
173.06013	10.9
173.09665	8.2
173.13292	43.1
175.11176	16.5
175.14864	8.8
177.09128	14.7
177.12776	9.8
178.06293	3.0
179.10783	4.6
181.08612	4.0
181.10127	4.9
183.10191	10.8
183.11737	8.8
185.09647	3.1
185.13246	5.3
187.07614	7.8
187.11198	9.7
187.14816	3.5
189.09122	5.4
189.12772	10.7
190.06291	4.0
191.08678	4.1
191.10736	5.5
191.14314	22.5
193.12285	5.8
201.09074	4.3
201.12766	30.1
203.10602	3.3
205.08646	13.3
205.12164	4.7
207.10104	4.6
207.13680	3.6
211.11168	4.2
217.08714	5.9
217.12292	10.6
219.13809	47.0
222.06523	3.3
229.12245	24.7
229.15802	3.3
235.13286	5.4
237.14842	61.1
247.13272	37.3
247.17056	6.1
265.08530	8.6
265.14310	68.6
265.18042	8.1
283.78842	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	265.0771
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86729	0.5
55.47762	0.4
56.96574	2.9
57.03422	0.8
58.49299	0.4
58.99854	0.9
61.02925	1.2
67.73315	0.4
68.98304	0.9
69.03443	2.5
69.96355	0.5
70.99857	2.6
71.01349	0.5
71.37105	1.0
73.02936	1.1
75.92151	0.4
79.58272	0.5
81.03410	0.9
82.01531	0.4
82.69505	0.5
82.99844	10.0
83.00307	0.8
84.04520	0.9
85.01419	1.1
85.02905	2.4
85.04865	0.6
85.81760	0.5
87.04469	0.8
89.00880	0.6
97.01400	1.8
97.02895	1.8
98.12628	0.5
98.97585	7.9
101.00887	64.4
102.00953	1.1
103.00661	1.2
103.02466	0.8
103.43773	0.5
110.97556	0.6
111.02934	0.9
112.50233	0.5
113.00869	3.4
115.02441	9.7
116.98629	1.8
117.04006	0.8
119.01925	46.1
120.02013	0.7
121.01643	0.9
124.02544	0.6
127.02394	2.3
127.03863	0.5
129.03952	1.3
131.00215	0.7
131.01900	4.9
133.03479	7.4
137.02975	1.4
139.02431	6.3
141.58516	0.5
143.00180	0.6
143.01894	9.4
145.01645	1.4
145.03427	5.6
147.05020	0.7
151.02345	0.6
151.12209	0.5
154.55180	0.5
155.04617	0.9
157.03471	46.5
158.03711	1.3
161.02974	9.0
162.03160	0.6
163.02748	2.0
163.04526	3.3
169.03456	5.3
171.01357	0.8
173.03015	0.8
174.99150	0.5
175.04520	19.7
181.05588	1.5
187.04482	3.4
189.08939	0.6
193.03799	0.8
205.00270	0.8
205.03722	0.9
205.05563	7.6
205.07315	0.8
223.06645	42.8
224.06793	1.0
241.07750	3.8
246.08324	1.0
247.06654	3.4
265.07709	100.0
266.07922	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.0771
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03751	0.4
55.47883	0.5
58.64629	0.4
68.98301	0.5
69.03416	1.4
70.35821	1.2
70.99847	1.2
81.03430	0.9
82.99850	8.0
88.60625	0.4
89.00883	0.8
97.01405	1.5
98.97583	2.8
101.00887	56.1
102.00974	0.6
103.00601	0.6
113.00890	3.3
115.02441	7.5
116.98608	0.5
117.04025	1.0
119.01925	33.9
127.02406	2.7
129.03957	1.3
131.01913	3.6
133.03481	6.5
135.05055	0.6
137.02942	1.5
139.02409	6.5
143.01903	8.5
145.01619	1.6
145.03441	3.8
151.02460	0.6
157.03474	42.2
158.03633	0.6
161.02965	9.2
163.02789	1.3
163.04521	2.9
169.03485	4.7
171.05101	0.6
175.03004	0.9
175.04533	17.8
181.05573	1.3
187.04547	2.9
205.05577	6.1
223.06641	27.5
224.06915	0.8
232.57613	0.4
237.72772	0.5
241.07674	2.9
247.06602	3.5
265.07709	100.0
266.07874	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	265.1437
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
51.36219	2.9
53.03930	7.3
54.85135	3.4
55.01867	7.5
55.05504	15.1
57.03427	5.1
58.77357	2.9
59.67504	3.2
64.56124	3.1
65.03941	10.9
67.05507	33.8
69.03433	40.9
69.07063	5.9
70.83535	7.4
71.04991	11.0
72.08148	3.6
77.03921	4.5
79.05501	26.2
81.03409	5.8
81.07065	25.8
83.04988	16.9
84.08146	6.0
85.06546	7.9
86.09688	4.8
91.05493	56.5
93.03415	6.0
93.07052	46.7
95.04978	46.6
95.08612	26.6
97.02862	6.8
97.06522	10.3
98.93014	3.3
99.04454	5.2
103.05483	8.1
105.03382	13.2
105.07042	79.3
105.81232	3.5
107.04943	9.8
107.08624	25.1
109.02878	4.5
109.06518	33.5
109.10146	8.2
111.04459	31.9
111.08082	14.6
113.06051	17.5
115.05447	6.8
117.07029	20.5
119.04980	3.5
119.08588	100.0
120.08160	21.8
121.02878	12.3
121.06532	44.0
121.10138	11.0
122.07156	5.0
123.08077	25.4
125.06075	3.5
128.06200	10.0
129.07022	18.2
130.07782	8.1
131.08586	45.2
133.06522	12.9
133.10106	22.6
133.14828	3.6
135.07132	5.1
135.08076	69.2
137.05983	4.8
137.09604	15.0
138.09132	33.5
139.03882	11.4
139.07556	5.9
140.47549	3.9
141.06992	12.7
141.21881	3.3
142.07773	14.5
143.08597	18.9
144.05659	5.2
144.09354	8.2
145.06581	17.0
145.10153	33.1
147.04451	4.0
147.08038	39.8
147.11658	21.2
149.05952	9.8
149.09636	13.6
151.07631	3.9
153.06961	6.5
153.09145	3.3
155.08585	9.1
156.09335	4.7
157.06458	4.6
157.10146	22.1
158.07314	24.0
158.10773	4.5
159.08073	41.0
159.11736	33.5
161.06009	7.7
161.09613	42.6
161.13219	7.0
162.09119	7.3
163.07535	7.9
163.94864	3.6
165.09111	29.9
168.09360	9.8
169.10095	7.8
171.08038	8.7
171.11705	9.2
172.08836	21.6
173.06015	4.9
173.09596	21.6
173.13290	21.1
175.07562	66.7
175.11157	28.5
177.05492	8.1
177.12671	4.3
181.06566	4.2
183.11696	14.1
185.09631	9.8
186.10455	7.7
187.07487	4.4
187.11180	37.2
189.09131	12.5
189.12714	15.5
191.06908	3.6
193.08606	27.0
196.08824	7.9
199.11119	16.8
201.12744	38.1
203.10661	36.9
205.12254	8.1
207.10193	3.6
209.60460	3.6
211.11215	21.9
217.12248	27.1
219.13805	11.0
229.12164	27.3
235.13266	7.4
247.13148	47.1
264.36469	3.3
265.11383	8.0
265.14301	67.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2373
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
53.03945	4.1
55.01864	1.7
55.05519	14.5
56.05846	2.9
57.07074	5.3
65.03958	2.4
67.05514	82.3
68.05849	8.3
69.07074	15.0
70.07420	1.5
70.89220	2.2
70.89542	1.6
71.05005	2.1
71.08626	3.3
79.05077	2.2
79.05506	32.0
80.05841	10.7
81.07068	100.0
82.07390	10.5
83.04971	2.3
83.08624	10.4
84.08955	1.9
85.06549	5.3
91.05486	13.4
92.05843	6.5
93.06163	1.7
93.07057	33.8
94.07383	18.3
95.04966	2.5
95.07712	3.1
95.08619	78.8
96.08940	8.3
97.06534	4.9
97.09307	2.5
97.10184	2.5
99.08096	5.9
105.07056	8.7
106.07370	5.4
107.08602	20.9
108.08945	14.8
109.09310	4.6
109.10164	44.6
110.06814	1.4
110.10513	4.0
111.08088	3.7
111.10833	1.6
113.09668	1.6
117.07073	1.7
118.07372	1.4
119.08625	9.0
120.08926	5.2
121.09327	2.0
121.10155	20.3
122.10487	9.9
123.08146	1.8
123.10828	4.1
123.11723	16.2
124.12096	1.3
129.07036	1.4
131.08580	4.0
132.08916	3.0
133.09283	2.3
133.10159	10.1
134.10490	4.1
135.10823	2.3
135.11725	14.3
136.12064	8.2
137.12367	4.5
137.13298	5.3
146.10469	4.6
147.10704	1.9
147.11711	6.6
148.12051	2.6
149.12383	1.3
149.13310	9.4
150.13646	7.6
151.13943	3.8
151.14914	3.1
160.12068	2.9
161.13393	7.3
162.13568	4.3
163.15013	5.9
164.15198	4.9
165.15404	2.1
165.16573	2.1
174.13644	1.9
175.14990	2.7
178.16824	1.5
188.15167	1.4
189.16492	1.9
243.21051	2.1
245.22177	19.1
245.62332	1.2
263.14072	1.4
263.23318	72.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.0236
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96572	24.0
61.02921	0.5
69.03433	0.6
70.06030	0.6
70.06422	0.6
71.95276	1.9
72.96059	0.7
73.02924	0.4
74.97616	2.0
82.99858	1.0
84.96027	0.5
85.02901	0.7
86.97617	0.3
97.02903	0.6
97.44732	0.2
98.97594	100.0
101.00896	4.9
102.00976	0.3
103.00644	1.0
110.97588	1.2
112.99130	1.3
114.97084	0.9
115.02431	0.7
116.98635	28.7
119.01934	4.3
119.02737	0.4
120.02060	0.4
121.01693	0.7
126.97075	1.7
127.02392	0.4
127.03932	0.3
128.98648	0.9
131.00183	0.8
131.01888	0.4
132.98119	1.2
134.99681	4.6
137.01149	0.2
137.02902	0.3
138.97046	1.3
139.02415	0.3
140.00211	0.6
143.00197	1.8
143.01942	1.0
144.98103	3.8
145.01639	0.4
146.99724	0.5
147.01286	0.3
150.99202	0.5
156.75772	0.3
156.98129	2.4
157.03482	2.6
158.99704	6.7
159.03175	0.3
161.01294	0.9
161.02937	0.5
162.99171	4.0
163.02666	0.6
169.03560	0.4
174.99159	4.3
175.03172	0.3
175.04512	1.5
177.00787	5.9
181.00201	2.0
182.99931	0.3
184.00383	0.3
184.05869	0.5
185.48218	0.3
186.99149	3.7
187.02797	0.3
193.00218	3.6
198.99272	0.5
199.01341	0.7
199.75766	0.3
201.01088	0.5
205.00226	14.7
205.05505	0.4
217.00252	0.6
217.04019	0.5
218.50310	0.2
219.02013	4.9
223.01288	5.3
223.04765	0.3
223.06689	1.6
241.02345	0.4
241.98251	0.9
243.02118	0.9
247.01428	1.0
258.97308	0.3
259.48016	0.3
259.96609	0.3
261.03098	9.8
265.02472	1.5
265.07947	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	263.2371
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.6
55.01859	1.4
55.05271	1.5
55.05518	15.5
57.03436	1.7
57.07080	12.9
65.03928	3.2
67.05509	85.4
68.94208	1.0
69.07074	18.7
69.81676	5.7
71.04970	2.1
71.08336	0.8
71.08631	7.8
77.03944	1.1
79.05072	1.7
79.05502	23.7
81.07062	100.0
82.00842	0.8
83.04945	2.2
83.08624	13.6
85.06525	3.6
85.10169	2.8
91.05488	16.2
93.07050	25.5
95.04959	1.6
95.08613	84.5
97.06536	8.5
97.10180	8.2
99.08102	6.0
105.07029	13.6
107.08602	16.1
109.06548	1.5
109.10162	44.4
111.08106	4.0
111.11684	1.0
113.09650	3.2
119.08574	11.4
121.06510	1.0
121.10150	18.5
123.08051	2.9
123.11711	18.9
127.11142	1.1
133.10127	17.1
135.11682	9.1
137.09604	2.2
137.13260	7.7
147.11688	12.0
149.13251	8.2
151.11208	1.6
151.14841	7.1
155.14371	1.1
161.13261	12.2
163.14835	8.6
165.16391	8.2
175.14818	7.1
177.16428	1.7
179.17938	4.0
189.16385	4.0
203.17952	2.6
217.19675	1.4
220.21649	0.9
245.22665	31.1
263.14636	1.3
263.23715	66.8
264.23917	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2372
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
53.03949	2.0
55.05517	15.7
57.03442	2.0
57.07082	12.4
61.72026	0.7
65.03949	4.1
66.64643	0.6
67.05508	91.2
69.03462	0.7
69.07071	16.7
69.07420	1.3
70.85714	0.7
71.05006	2.9
71.08634	6.4
71.24688	1.6
73.53490	0.8
75.30619	0.7
79.05499	23.0
81.07060	100.0
83.05000	2.1
83.08619	16.4
85.06543	4.9
85.10189	3.6
91.05490	19.3
93.07050	24.0
95.04979	1.3
95.08612	86.9
97.06535	7.7
97.10176	7.3
99.08103	6.0
105.07037	13.2
107.08599	14.4
109.06541	1.6
109.10165	44.1
111.08092	4.4
111.11727	0.9
113.09649	3.1
119.08585	12.4
121.10153	13.7
123.08091	1.8
123.11716	16.8
125.09608	1.3
127.11214	2.2
133.10143	16.2
135.11696	10.5
137.09631	3.0
137.13255	6.9
139.11237	1.6
141.12753	1.7
143.08549	1.1
147.11690	11.0
149.13268	9.6
151.11285	1.6
151.14819	7.4
153.12613	0.8
155.14281	1.2
157.10025	0.7
161.13271	11.8
163.12753	0.7
163.14809	8.8
165.12761	1.5
165.16397	9.7
173.46338	0.7
175.14828	9.0
177.16353	1.8
179.17960	3.4
181.16046	1.9
189.16331	4.3
193.15854	1.1
203.17998	1.8
217.19524	1.4
222.24699	0.9
226.87814	0.8
245.22647	32.8
263.23712	68.2
264.24078	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2371
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
53.03952	2.0
55.01870	1.1
55.05515	15.3
57.03432	2.5
57.07080	10.9
65.03943	2.4
67.05508	92.4
68.05864	0.8
69.07074	15.3
71.05000	1.4
71.08630	7.5
71.51779	0.8
72.14357	0.6
79.05498	25.1
81.07062	100.0
82.07402	0.8
83.04970	1.3
83.08624	13.0
85.06556	3.6
85.10183	2.8
91.05482	18.1
91.06020	1.1
93.07049	24.6
95.04963	1.7
95.08613	84.8
97.06529	6.8
97.10156	5.9
99.08099	5.7
105.07034	11.9
106.05613	0.6
107.08599	14.3
109.06512	0.8
109.10165	44.2
111.08089	4.5
111.11749	1.2
113.09652	3.0
119.08584	12.7
121.10151	16.7
123.08112	1.6
123.11712	19.9
125.09640	1.1
127.11205	1.6
131.08617	0.9
133.10130	15.3
135.11696	11.9
137.09572	1.7
137.13266	6.8
141.12737	1.4
145.10031	0.8
147.11696	8.9
149.13278	7.4
151.14801	9.0
152.05377	0.7
155.14362	1.1
161.13263	9.4
163.14847	8.2
165.16403	8.5
175.14824	6.8
177.16359	1.4
179.14458	0.8
179.17911	3.3
181.15883	1.0
189.16345	3.6
203.17990	1.8
205.19539	0.9
217.19498	1.4
219.20976	0.7
245.22670	30.8
247.11714	2.4
263.14697	12.0
263.23721	66.7
264.24179	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0531
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28399	7.7
57.03428	9.7
57.07499	9.5
57.81570	7.9
59.06207	7.3
66.92648	7.6
70.10253	30.6
70.10660	17.9
70.64384	6.8
82.99825	10.9
84.04504	10.9
85.02883	17.1
98.97607	10.9
101.00874	43.8
113.00845	11.3
119.01949	39.9
123.85435	9.4
131.01927	16.9
133.03416	7.2
137.59966	8.0
143.01909	83.8
145.03461	9.1
155.01921	13.7
157.03456	9.6
161.02959	100.0
173.02974	29.2
191.03918	9.0
203.03990	20.3
220.75406	8.9
263.05844	27.3
268.25888	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	263.2008
Annotation	3-Acetoxy-E-gamma-Bisabolene
Peak:m/z	Relative Intensity
50.52343	2.8
53.03952	4.9
54.14253	2.9
55.05514	15.7
55.74305	3.0
57.07083	4.8
60.51392	2.7
67.05505	27.2
67.48762	2.7
69.07066	11.7
71.09052	6.5
79.05496	78.2
81.07063	37.4
83.08627	9.9
85.06565	3.6
91.05482	27.8
93.07050	100.0
93.23009	2.5
95.04980	7.2
95.08614	33.2
97.10188	5.2
105.07041	25.1
107.08609	55.3
108.12115	2.8
109.06534	3.8
109.10183	12.8
119.08545	13.9
121.06486	3.5
121.10148	66.4
131.08607	6.5
133.10164	9.4
134.00400	2.7
135.11707	37.9
143.08577	4.4
145.10173	5.4
147.11723	10.2
149.09607	3.3
149.13269	10.9
157.10159	4.7
163.11249	3.3
171.11757	4.9
181.12299	3.2
199.14859	3.1
207.13794	4.3
245.19131	4.4
263.17270	2.4
263.20114	56.9
263.26114	3.5
269.10126	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	261.2216
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14377	0.6
50.97686	0.6
53.03952	3.9
55.01877	1.0
55.05519	13.1
57.03438	2.0
57.07083	5.2
65.03953	2.1
67.05514	48.8
69.07077	13.2
69.26779	5.8
71.04993	2.2
71.08632	2.4
74.43348	0.7
77.03933	1.5
77.67056	0.6
79.05502	66.3
81.07066	50.7
82.01045	0.5
83.05025	0.9
83.08627	9.7
85.06554	3.3
91.05490	32.5
93.07055	83.4
95.04996	3.2
95.08616	38.3
97.06532	3.8
97.09631	0.6
97.10171	3.1
98.21513	1.5
99.08101	4.6
105.04528	1.5
105.06513	0.5
105.07039	18.7
107.08607	55.8
109.06507	1.5
109.10170	14.9
110.63981	0.6
111.08082	3.7
111.11819	0.9
113.09660	1.3
117.07021	8.1
119.06089	1.4
119.08597	16.7
121.10157	43.0
121.52520	0.6
123.08076	1.9
123.11723	5.8
125.09664	1.0
127.20114	0.7
130.07744	0.9
131.08588	15.1
133.10144	16.1
135.11713	37.2
137.09650	1.9
137.13280	1.9
143.08548	0.8
145.10150	16.6
147.11693	12.3
149.09744	0.7
149.13277	28.8
151.11191	1.2
153.12714	1.0
159.11707	12.8
161.13275	12.2
163.11238	1.1
163.14847	21.6
165.12724	1.3
173.13293	10.9
175.14848	5.2
177.12796	0.7
177.16418	6.0
179.14354	2.4
185.13249	0.6
186.29118	0.6
187.14853	6.2
189.16415	1.2
201.16402	3.4
205.15907	0.8
209.53384	0.6
215.17923	1.5
219.17439	1.5
233.22685	1.7
243.21103	32.0
261.22174	100.0
262.22388	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0167
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28913	3.6
56.49257	3.7
56.96566	9.0
57.03416	11.3
69.03438	13.9
71.01335	12.2
71.50831	4.1
71.51235	5.5
73.02907	8.9
75.28577	3.4
82.99839	8.2
84.04498	10.7
85.02924	20.9
87.04462	7.5
97.02902	12.4
98.97568	20.6
101.00888	57.9
113.00867	17.8
113.02349	4.1
114.82243	4.0
119.01917	44.0
120.38596	4.0
121.53033	4.5
127.02380	3.8
131.01894	15.2
133.03511	6.6
139.02425	5.6
143.01895	80.7
145.03470	8.3
155.01912	16.9
157.03494	12.6
161.02972	100.0
167.01840	4.5
173.02975	32.4
175.04604	6.1
185.02928	9.1
191.04036	15.0
203.02312	4.3
203.03940	22.3
214.66507	3.8
223.06596	11.7
245.05157	7.4
263.01608	9.6
263.06070	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	261.2215
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
50.63226	0.7
53.03938	2.4
55.01854	1.2
55.05277	0.9
55.05519	13.0
56.85133	0.8
57.03414	0.9
57.07059	2.9
65.03944	2.3
67.05511	38.9
68.05828	0.7
69.07075	11.8
71.04984	2.5
71.08640	1.4
73.41058	0.6
75.53227	0.7
79.05499	52.6
81.07062	48.4
83.04979	1.8
83.08636	7.8
85.06570	3.7
91.05492	26.9
93.07051	68.0
95.04980	3.5
95.08614	36.4
97.06519	3.5
97.10154	1.8
98.21660	1.4
99.08090	3.4
103.05453	0.8
105.04530	1.5
105.07036	19.7
107.08602	50.6
109.06532	1.8
109.10162	13.7
111.08077	3.3
113.09653	1.4
117.07038	7.0
119.08586	17.5
121.10154	42.0
123.08050	2.6
123.11747	5.1
125.09615	1.0
131.08578	14.6
133.10153	16.6
135.08052	0.8
135.11707	34.6
137.09633	2.4
137.13228	1.8
145.10130	15.5
147.11694	13.2
148.13538	0.7
149.13271	26.7
151.11203	1.4
159.11710	10.0
161.13271	13.2
163.14844	18.1
165.12770	1.3
173.09525	0.7
173.13286	10.0
175.14813	3.7
177.16423	5.0
179.14296	1.8
187.14822	5.6
189.16406	0.9
201.16380	3.4
203.10692	0.8
205.15907	1.1
215.17902	1.6
217.19608	1.1
231.36952	0.8
233.22763	1.4
243.21120	33.3
261.22159	100.0
262.18222	0.8
262.22504	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2215
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22874	0.7
50.63493	0.7
51.02379	0.7
53.03941	4.2
55.05522	13.4
56.49284	0.7
57.03451	1.1
57.07071	3.8
65.03939	2.3
67.05511	44.7
69.06728	1.1
69.07073	13.1
70.34444	1.5
70.34805	2.7
71.04991	2.2
71.08624	1.6
77.03933	2.1
79.05502	56.8
81.03444	0.7
81.07063	48.6
83.08633	6.1
85.06538	3.0
91.05489	28.3
93.07052	76.7
95.04963	3.4
95.08617	33.8
97.06528	2.9
97.10162	1.9
99.08085	3.3
105.04543	1.8
105.07040	19.6
107.08601	46.0
109.06537	2.3
109.10164	15.3
111.08102	3.0
111.11715	0.9
113.09659	1.5
117.07016	6.4
119.08598	17.2
121.10154	43.4
123.08071	1.2
123.11708	4.6
131.08582	14.8
133.10155	12.7
135.11702	37.1
137.09698	1.0
137.13277	1.0
139.11211	1.3
144.09415	0.8
145.10136	14.4
147.11707	11.6
149.09637	1.6
149.13272	30.7
151.11165	1.8
151.14774	1.1
159.11717	11.1
161.13266	14.4
163.14830	20.9
165.12823	1.3
167.07484	0.8
173.13283	11.5
175.14807	5.9
177.16396	6.0
179.14343	1.5
187.14854	7.7
201.16458	3.3
215.18019	2.0
219.17484	1.0
243.21123	33.3
261.22159	100.0
271.14273	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2218
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
53.03949	3.0
55.01882	1.1
55.05518	15.6
57.03440	2.1
57.07091	3.7
65.03941	1.9
67.05511	43.0
69.07076	12.9
69.26621	4.5
71.04994	2.2
71.08629	1.4
77.03934	1.5
79.05502	57.3
81.03455	0.7
81.07066	49.4
82.38589	0.5
83.04998	0.7
83.08629	8.1
84.41859	0.6
85.06560	3.1
91.05492	30.8
93.07053	74.7
95.04990	3.0
95.05585	0.4
95.08619	37.6
95.25201	0.4
97.06549	3.2
97.10195	2.7
99.08110	4.5
103.05479	0.5
105.04549	1.7
105.07044	19.6
107.08606	48.8
109.06538	1.8
109.10172	14.5
111.08091	4.0
111.11699	1.1
113.09678	1.5
117.07026	7.3
119.08598	15.6
121.10156	42.9
123.08087	1.7
123.11729	5.2
125.09573	1.0
129.07082	0.6
131.08585	13.9
133.10147	13.3
135.11710	37.5
137.09647	1.6
137.13297	1.4
139.11227	0.9
145.10144	14.3
147.11710	11.0
149.09624	1.0
149.13275	28.4
151.11185	0.9
151.14825	0.8
153.12756	1.0
159.11711	12.1
161.13278	11.9
163.11252	0.8
163.14844	19.0
165.12816	1.3
173.13283	11.5
175.14859	5.1
177.16409	5.1
179.14299	1.5
187.14850	7.2
189.16458	0.9
200.27223	0.6
201.16382	3.3
205.15889	1.4
215.18021	1.8
217.19458	0.7
219.17464	0.9
233.22685	1.3
238.38353	0.5
243.18474	0.8
243.21107	31.3
261.22171	100.0
262.22562	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2216
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
51.02380	0.9
51.26313	0.5
53.03942	4.1
54.23251	0.6
55.05515	15.0
55.89060	0.5
57.03428	1.9
57.07080	3.9
57.09221	0.6
63.06910	0.5
63.94634	0.5
65.03947	1.8
67.05508	47.1
68.16760	0.6
69.03488	0.6
69.07074	14.0
70.34083	2.0
71.04990	2.5
71.08623	1.6
71.55570	0.5
77.03931	2.4
79.05498	62.6
81.03383	0.6
81.07059	52.0
83.04984	0.7
83.08629	8.0
85.06562	3.2
91.04899	1.3
91.05484	32.7
93.07050	80.2
95.04966	3.3
95.08613	42.7
97.06531	4.3
97.10183	2.9
99.08091	3.6
103.05488	0.6
105.04519	1.6
105.07036	20.2
107.08604	52.0
109.06531	2.3
109.10159	17.2
111.08089	3.1
111.11719	0.7
113.09634	0.8
117.07024	8.6
119.08585	16.6
121.10153	46.6
123.08083	1.9
123.11722	4.9
125.09606	1.1
129.06979	0.9
131.08575	14.9
133.10144	14.0
135.08089	0.8
135.11702	37.3
137.09610	1.7
137.13251	0.9
139.11238	0.8
143.08604	0.5
145.09059	1.1
145.10138	15.7
145.11287	0.8
147.11696	11.7
149.13261	34.0
151.11168	1.3
151.14833	1.0
153.12851	0.7
159.11697	11.4
161.11992	1.0
161.13258	12.2
163.11200	0.6
163.14835	21.5
165.12749	1.2
172.81097	0.5
173.13271	11.9
175.14848	6.5
177.12848	0.7
177.16367	5.8
177.71021	0.5
179.14330	2.3
187.14825	6.4
189.16382	1.3
191.14372	0.6
201.16364	3.8
205.15904	0.6
215.17967	1.9
217.19540	0.8
219.17490	1.0
233.22643	1.8
243.21098	34.3
261.22156	100.0
262.22476	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2216
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.7
55.05520	13.0
57.07067	4.0
67.05511	39.3
69.07070	11.4
69.40402	13.0
70.04068	1.8
71.05007	3.6
71.07706	1.9
79.05500	50.5
81.06597	2.6
81.07063	45.2
83.08615	6.5
85.06510	3.5
91.05486	27.9
93.07051	70.8
95.04974	4.2
95.08614	36.3
97.06545	3.2
97.10170	3.4
99.08075	2.8
105.04538	1.8
105.07049	22.2
105.09639	1.5
107.08605	45.4
109.06506	2.4
109.10145	16.9
111.08108	2.9
117.07024	6.6
119.08598	17.6
120.95439	1.5
121.09329	2.9
121.10155	43.3
123.08070	2.9
123.11707	5.7
131.08580	16.2
133.10155	15.8
135.11702	36.3
137.13286	1.8
143.08577	1.7
145.10136	15.8
147.11688	13.8
149.13281	25.1
159.11673	9.4
160.85254	1.5
161.13283	11.4
163.14830	16.6
165.12798	1.8
173.13289	10.5
175.14830	5.8
177.16414	6.1
187.14845	7.4
201.16446	4.4
215.11082	1.9
229.11588	1.7
233.22655	1.6
243.21100	31.6
261.12900	3.6
261.22165	100.0
262.14175	1.8
262.22604	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.0609
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98167	0.5
55.01888	0.7
56.96562	1.8
57.03441	1.4
61.02927	1.1
69.03439	3.0
69.07069	2.6
69.66940	2.5
70.06579	0.5
71.01368	0.9
72.08189	0.6
73.02926	0.9
75.00034	1.1
79.05467	1.2
81.03426	1.5
81.07079	1.0
83.04987	0.9
84.04510	1.7
84.08155	1.8
84.96038	0.9
85.02914	100.0
85.06586	0.7
86.03299	0.5
86.09716	26.5
88.03993	1.1
91.05502	1.4
93.07049	0.6
94.04216	0.6
95.01337	12.6
95.04989	0.8
95.08624	0.7
97.02911	2.1
97.06563	0.7
98.09698	1.2
98.97601	3.3
99.00857	1.3
102.05583	1.3
102.99515	0.6
103.05479	0.6
105.07044	0.8
107.04970	1.7
109.02880	0.7
109.06577	0.5
109.94873	0.5
110.97620	1.1
111.04445	0.6
113.02396	1.8
115.05485	0.6
116.10756	1.7
116.98631	1.3
119.04959	0.8
119.08605	0.8
120.08118	0.6
121.06499	0.8
123.00824	0.8
123.04430	2.8
123.08096	1.1
123.13911	0.5
124.13762	0.5
127.03941	8.3
128.98625	1.2
129.07043	1.0
130.06563	2.5
130.98999	1.0
131.04959	1.0
131.08601	1.0
132.10155	0.8
135.04477	0.8
137.05974	6.3
138.06305	0.6
141.01839	29.7
141.06911	1.0
145.06509	1.4
148.06087	2.2
151.03931	4.0
155.08632	0.6
157.07622	1.1
158.06046	2.6
159.02930	1.1
159.04330	0.5
159.54149	0.5
161.01334	0.7
169.06453	0.5
169.10135	0.6
172.05193	0.7
173.05965	0.8
173.09732	0.7
177.00687	0.7
183.02913	3.1
183.07971	0.6
187.07581	0.7
187.11220	0.6
197.06006	1.1
197.13019	0.6
201.03957	3.5
201.05533	0.7
201.09103	1.0
215.03407	0.6
215.07108	0.6
215.10838	1.4
219.01674	1.0
219.10205	0.5
224.61646	0.4
225.05542	0.5
237.02936	1.8
243.06651	0.7
243.07939	0.4
243.10271	1.1
261.03934	1.4
261.07397	3.6
261.11539	0.6
261.15152	0.7
261.18301	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.0286
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	0.6
56.96569	35.8
57.03440	1.5
61.02922	1.6
68.96571	0.6
69.03448	3.3
69.95463	3.0
70.98116	0.6
71.01344	5.9
71.05007	0.9
71.95261	2.1
73.02914	0.6
73.97813	0.5
74.97616	2.2
81.03434	1.3
83.04973	0.6
84.04498	1.3
84.08155	2.6
84.96044	14.2
85.02914	5.7
85.08469	0.9
86.09715	13.5
86.97598	2.2
87.04458	1.8
97.02901	4.2
97.96804	1.2
98.97593	100.0
101.00874	1.8
102.96872	4.8
103.00596	0.7
110.97579	43.1
112.42051	0.7
112.99138	7.7
113.00884	1.7
113.02383	1.0
115.00674	0.8
115.02403	1.3
116.98627	20.7
119.01905	2.3
120.97917	1.9
121.01674	1.1
124.99145	5.6
126.97051	1.9
127.00713	1.3
127.03964	1.3
128.98622	22.5
129.01854	2.0
129.03990	0.7
131.00206	4.2
131.01897	2.4
133.03499	1.2
134.99666	3.0
136.99146	1.0
140.98596	8.2
141.01836	1.4
143.00174	15.0
143.01933	1.6
144.98135	1.9
145.03471	0.7
146.99664	4.6
148.06070	2.1
149.01218	1.3
150.97049	0.6
152.98631	2.1
154.02039	0.6
155.00165	3.3
155.01917	2.1
156.98128	1.5
157.01660	0.8
157.03534	1.2
158.99663	12.8
159.03076	0.7
159.05116	1.0
161.01257	6.0
161.02942	2.2
164.00505	0.8
168.98123	1.0
170.99707	12.2
171.01385	2.0
171.05087	1.0
173.01254	8.0
173.02951	1.8
174.99203	1.6
175.02885	0.7
177.00726	7.6
179.02322	0.9
180.01837	1.0
182.03455	0.8
182.99680	3.3
183.01355	1.2
185.01299	0.7
185.03055	0.8
186.99185	1.0
189.00740	9.3
189.02336	0.8
191.02348	3.3
191.03899	0.9
194.99641	3.4
196.97662	1.3
198.99103	0.8
201.00719	14.3
201.02577	0.9
203.02263	0.9
203.04053	1.4
213.00789	1.9
214.98689	2.3
219.01784	63.7
221.03226	1.2
221.05165	2.5
231.01768	0.7
232.99644	1.1
237.02843	50.5
243.01775	1.7
255.03983	2.2
260.95807	1.5
260.99783	1.3
261.02914	14.2
261.05777	2.3
261.08749	1.1
261.09366	1.1
278.97061	4.2
279.00885	1.4
279.03857	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	260.1031
Annotation	Lenalidomide
Peak:m/z	Relative Intensity
53.03949	0.8
53.28342	0.6
54.26537	0.6
56.04790	0.6
56.05037	6.4
59.10417	0.6
65.03944	1.2
68.05024	0.6
70.06593	15.9
71.06114	1.1
79.05483	1.7
82.02924	1.1
84.04504	0.9
84.08195	0.5
85.07651	1.1
92.05011	3.4
95.04976	0.7
98.06056	3.0
98.20776	2.2
99.05574	6.3
103.05475	3.6
104.04980	1.9
104.55498	0.5
105.03403	2.7
105.05775	9.1
106.06550	2.0
110.06025	1.1
111.05539	0.8
113.07127	12.7
117.05733	1.0
120.04469	69.4
121.02900	0.9
127.05090	2.9
127.75050	0.6
130.06519	2.9
132.04465	12.0
132.05464	0.7
133.05254	2.2
134.06015	6.5
137.04723	14.9
137.05736	1.0
141.06589	100.0
142.06944	1.2
146.02342	2.7
146.06068	0.7
158.06017	9.7
160.07568	3.0
162.05498	1.1
175.08682	0.6
201.06589	2.1
203.08189	0.9
217.09721	2.3
231.07675	0.9
232.10823	33.7
250.11876	0.5
260.10315	82.6
261.10693	1.6
278.11365	95.4
279.11740	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	260.1608
Annotation	H-Ile-Gln-OH
Peak:m/z	Relative Intensity
50.08493	1.0
53.03936	1.4
55.05507	2.0
56.05036	8.6
56.96570	16.3
57.03425	2.4
61.02922	2.0
67.05492	1.5
68.05011	1.1
69.03429	5.3
69.07059	4.2
69.91913	2.2
69.92300	2.6
70.06603	4.9
71.01347	2.2
71.05003	1.5
71.95279	1.2
72.08162	13.9
73.02923	2.6
74.02444	1.7
74.97646	1.1
79.05457	1.1
81.03407	2.5
81.07055	1.6
83.06107	65.6
84.04509	96.4
84.08150	30.8
84.96038	6.5
85.02922	7.2
85.06502	1.3
86.09708	100.0
87.04469	1.6
91.05473	2.9
95.04977	2.6
97.02909	6.6
98.34866	0.9
98.97590	21.2
99.04441	2.4
100.02193	2.4
101.07143	10.1
102.05546	1.2
105.07060	1.2
107.95892	1.0
109.02883	2.7
110.05999	1.6
110.57059	1.1
110.97570	6.3
113.07052	1.0
114.05524	1.2
116.98624	8.6
120.04472	1.2
121.06499	1.9
123.04400	1.9
127.03948	1.4
128.98602	4.2
129.06604	5.7
129.10233	6.2
130.05029	2.5
130.06566	5.9
130.08624	4.5
132.10210	33.3
134.99614	2.2
136.07596	1.5
137.05974	2.6
138.09111	1.9
141.06581	4.0
143.00122	1.8
143.11781	4.3
144.06538	3.2
144.98152	1.4
146.99640	1.7
147.07619	2.2
147.11296	5.2
149.05983	2.1
152.10741	1.6
157.07600	4.7
157.13368	10.4
158.05945	1.6
158.99655	4.5
161.01169	3.1
161.09241	5.3
162.99181	1.1
167.07069	5.2
170.99693	1.5
171.11249	1.8
174.99182	1.1
177.00743	2.7
177.05428	2.3
185.12869	2.6
186.03810	1.4
189.00746	1.8
189.12334	1.3
192.02521	1.6
196.14470	8.8
197.12872	36.0
198.11261	2.3
201.00775	1.2
209.03470	1.1
209.08093	1.9
210.03711	1.3
214.05247	4.8
219.01732	3.8
224.09184	2.8
225.12289	3.1
237.02736	4.9
242.15009	80.4
243.13414	34.3
243.17076	1.6
260.07169	4.2
260.10260	6.1
260.15155	2.8
260.19708	5.1
265.22415	1.2
271.05045	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.2058
Annotation	13-Apo-beta-carotenone
Peak:m/z	Relative Intensity
55.05511	15.2
57.07057	4.5
66.51408	2.0
67.05514	16.9
69.03420	7.1
69.06731	2.7
69.07072	31.5
70.39283	1.7
71.51756	3.2
71.52145	2.2
79.05487	8.5
81.03421	2.4
81.07056	11.9
83.04967	6.5
83.08613	7.2
85.02916	2.4
85.06540	4.0
91.05479	14.9
93.07047	14.3
95.04940	2.4
95.08597	25.9
97.02876	2.9
97.06535	2.7
97.10178	4.6
99.00818	2.4
99.08034	2.0
103.05502	2.1
103.21254	1.9
105.07037	23.4
107.04982	2.5
107.08604	24.3
109.06470	2.8
109.10163	13.1
109.15188	2.0
115.05534	2.3
117.07001	5.8
117.36751	2.2
119.08579	37.7
121.10159	13.6
123.08017	3.1
123.11701	3.7
125.09675	3.1
128.06233	5.6
129.07042	9.6
130.02112	2.2
130.07788	2.2
131.04929	4.3
131.08578	19.4
133.10139	27.5
135.11703	8.9
141.07016	4.1
142.07790	12.6
143.08562	22.2
144.09329	7.1
145.10120	18.8
147.08189	3.0
147.11684	15.9
149.02431	3.7
149.09698	2.3
149.13266	2.7
155.08580	6.1
156.09311	9.5
157.10143	35.1
158.10896	3.2
159.08102	2.3
159.10474	3.2
159.11716	49.3
161.09587	3.2
161.13231	13.6
169.10100	5.2
170.10942	11.0
171.11723	33.0
173.13284	13.7
175.11188	2.9
175.14767	10.1
183.11703	6.7
184.12448	3.4
185.13249	40.7
187.14766	5.5
195.11806	2.6
197.13240	5.9
198.14044	2.7
199.14870	17.0
200.15393	2.5
201.12749	2.5
201.16484	9.8
202.07791	2.6
203.14272	7.0
208.69652	2.0
211.14853	7.0
213.05444	3.4
213.16269	6.1
216.09134	2.0
226.17197	4.2
231.08215	4.9
239.10535	3.8
241.15872	2.7
241.19527	57.6
259.09671	4.0
259.17105	7.4
259.20581	100.0
259.24503	4.2
284.64636	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.1178
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.4
55.01874	0.7
55.05498	1.1
57.03426	2.3
65.03938	0.6
67.05500	1.0
69.03439	1.6
69.07063	0.8
70.06573	0.7
70.36086	1.6
70.36423	0.5
77.92714	0.5
78.04719	3.7
79.05484	1.3
81.03411	1.5
81.07055	1.0
82.51268	0.5
83.04982	1.5
84.08138	0.5
86.09707	0.7
91.05450	0.5
93.03394	0.5
93.38702	0.6
95.04958	3.4
96.05770	0.7
96.08134	0.7
97.02906	2.1
97.06532	1.2
99.04413	0.5
99.08014	0.6
103.05506	0.6
105.03395	1.7
105.07031	0.8
106.04178	5.5
107.04971	1.2
107.08557	0.8
109.02888	3.0
109.06557	0.6
109.10180	1.0
110.03606	0.6
111.04441	0.7
114.09173	7.3
121.02853	0.6
123.03581	0.8
123.04440	10.7
124.05209	2.9
125.02359	1.0
125.06007	0.8
127.03920	1.1
127.07568	2.6
127.34693	0.5
129.07028	0.5
131.08549	0.6
134.03674	4.0
137.02385	1.0
137.09627	0.9
138.03131	4.9
139.03922	0.9
139.07602	0.5
140.04698	12.4
141.05486	5.7
149.02406	2.6
151.03931	2.1
152.04698	7.1
153.05530	2.6
154.43492	0.5
155.03427	1.6
155.07040	12.8
157.06479	0.6
167.07053	100.0
168.07320	0.9
169.04922	1.5
170.05760	47.3
173.08096	0.7
177.54790	0.6
183.06551	2.2
185.06052	0.7
185.08041	0.9
186.09218	1.2
199.07532	0.5
199.09451	0.6
213.05569	1.0
224.56851	0.5
231.06543	1.2
233.19916	0.5
235.08788	0.5
242.13763	0.7
259.05881	2.4
259.10461	1.0
259.13474	0.9
259.16772	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	260.1032
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.5
56.05038	6.1
56.96570	1.2
65.03947	2.2
67.05501	1.7
69.03433	1.5
70.06597	17.2
71.04988	2.9
71.51466	1.3
72.04482	1.0
72.08148	3.1
74.02427	2.8
79.05490	1.5
80.74077	0.8
81.03371	1.0
81.07027	1.2
82.02948	1.2
83.06094	1.9
84.04494	3.4
84.08147	12.0
85.02921	9.2
85.06542	1.8
85.07095	0.9
85.07668	2.6
86.09708	11.2
91.05483	1.7
92.05006	2.0
93.07041	0.9
95.01320	1.2
95.04935	1.4
96.04479	1.3
97.02917	1.3
98.06033	3.1
98.97581	2.5
99.04440	1.3
99.05556	2.8
101.07101	1.0
102.09174	1.1
103.05457	3.3
105.03384	1.5
105.05776	4.8
106.06561	1.9
109.02877	10.0
113.07142	10.5
113.07861	1.8
114.05503	2.0
116.07099	3.0
116.98534	1.6
120.04472	60.0
123.04446	2.1
124.07592	1.3
127.03932	1.7
127.05048	2.9
129.06493	1.0
129.10217	3.1
130.04996	1.7
130.06534	3.6
130.08653	1.9
131.03902	0.9
132.04462	12.3
132.10193	2.9
133.05267	1.8
134.06030	5.2
137.04735	15.4
137.05899	1.5
138.09254	1.0
138.53456	0.9
141.01808	1.2
141.06601	86.1
143.11800	1.7
144.10088	1.0
145.10143	1.1
146.02385	2.3
146.06046	1.4
147.07742	1.7
147.11287	1.3
157.07635	0.9
158.06006	8.0
160.07570	2.6
161.05965	0.9
162.05489	1.2
189.12338	1.8
196.09641	1.0
199.02768	0.9
201.06575	2.4
203.08182	1.2
204.13795	2.8
214.05368	2.7
217.09700	2.7
224.09193	6.5
232.07082	1.2
232.08643	1.7
232.10826	26.9
233.11331	1.1
242.10146	2.1
242.14926	2.0
260.06055	2.1
260.10324	52.4
260.19540	1.0
278.11380	100.0
279.11584	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.1907
Annotation	Dibutyl adipate
Peak:m/z	Relative Intensity
53.03946	2.6
55.01862	3.3
55.05516	88.1
57.03441	38.5
57.07084	11.7
59.04990	2.5
67.05512	17.2
69.05462	1.6
69.07076	85.8
71.05002	9.4
71.08617	7.3
71.51637	1.7
71.52062	2.7
73.06538	4.2
79.05492	20.3
81.07058	43.2
81.91323	1.5
83.04981	4.7
83.08629	89.6
85.06527	6.2
91.05473	5.6
93.07054	38.9
95.04935	1.7
95.08613	20.7
97.06540	25.4
97.10171	22.6
101.06007	4.8
105.06992	2.6
106.86759	1.7
107.08604	34.4
109.10158	15.0
111.08089	20.5
115.07549	2.4
117.07005	2.4
117.96209	1.4
119.08528	3.0
121.09457	1.8
121.10172	18.0
123.11686	5.3
125.09606	6.5
125.13264	4.6
129.01823	3.6
129.09125	1.8
135.11713	2.6
144.98415	1.5
147.11681	2.8
149.13272	60.0
157.10008	2.0
167.14340	25.5
171.11673	2.5
185.15335	3.9
196.79692	1.5
206.94887	1.7
241.17995	4.2
259.19052	100.0
259.24231	4.6
268.01224	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	258.2793
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	0.5
57.07079	12.8
58.06603	1.6
62.06093	8.1
63.56022	0.3
65.96935	0.3
69.07059	0.4
70.74612	0.8
71.08636	6.0
72.08141	1.1
72.90675	0.2
79.05268	0.3
85.10193	2.8
90.09201	0.6
120.26583	0.2
120.98282	0.3
123.78175	0.2
134.59888	0.3
138.09204	0.3
146.29555	0.3
240.26859	5.1
258.27930	100.0
259.28305	1.3
269.26309	0.2
277.39450	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	258.998
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98648	0.4
56.96298	0.5
56.96574	7.0
70.11246	0.6
70.11645	0.5
71.95261	2.4
93.87959	0.2
95.69704	0.2
98.97599	100.0
99.97907	0.3
100.97191	0.7
100.98015	0.3
101.81586	0.2
116.98641	29.8
119.01893	0.3
134.99670	4.4
140.00186	0.4
146.90073	0.3
153.00722	0.3
216.98706	0.7
219.01993	0.3
240.98698	2.5
258.99808	38.4
259.99869	0.8
277.00848	30.2
278.00961	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.022
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47385	8.6
56.96571	100.0
61.02903	9.8
69.03427	16.3
70.09731	33.2
70.10111	17.4
75.22321	8.5
85.02903	24.9
97.02896	28.6
98.97585	61.4
101.00831	11.3
102.03680	9.0
111.05585	22.7
112.35744	9.2
112.99150	16.8
116.98608	22.5
119.01907	13.0
127.00723	16.7
128.09875	8.1
129.02306	14.2
131.00150	9.5
131.03706	10.9
133.03462	9.1
145.01761	21.7
147.03230	16.7
157.06123	8.2
159.38509	7.6
169.04327	8.1
170.56242	8.3
173.01190	19.5
175.04358	8.9
177.04054	14.1
178.04956	33.5
191.02269	32.4
209.03372	35.1
221.03374	9.9
239.04364	10.2
240.29965	9.4
259.07825	13.0
259.13065	27.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1904
Annotation	Montiporyne F
Peak:m/z	Relative Intensity
55.05519	5.7
57.07082	6.5
57.40401	1.0
59.06952	1.1
60.78699	1.4
67.05516	9.9
69.07086	7.1
70.06594	5.5
71.04996	3.2
71.08643	2.6
71.26607	2.2
72.08158	3.5
76.17830	1.1
79.05495	8.5
81.07056	8.0
83.04970	2.4
83.08619	3.9
84.08132	1.0
85.06559	5.6
88.07652	8.6
89.07962	3.0
90.09182	1.3
91.05500	11.1
93.07058	15.0
95.04970	3.4
95.08614	13.0
97.06499	1.5
99.08091	1.9
102.09191	2.1
103.05521	1.3
105.07051	27.0
107.08605	12.9
109.06525	6.4
109.10173	11.4
111.08099	2.6
115.05417	1.6
117.07042	9.1
119.08604	23.7
121.10166	61.8
123.08091	4.6
123.11726	2.1
128.06209	2.9
129.07016	5.3
130.07820	2.1
131.08597	21.5
133.10149	12.1
135.08078	9.4
135.11702	4.5
137.09631	5.8
141.07001	3.0
142.07809	7.4
143.08588	17.0
144.09361	2.6
145.10147	26.8
147.11699	4.7
149.09671	3.5
153.07010	1.6
154.07660	1.3
155.08597	5.2
156.09370	4.7
157.10153	25.4
158.10934	5.4
159.08134	1.4
159.11726	31.7
161.09676	2.7
161.13316	2.6
163.11183	3.7
167.08595	2.4
168.09406	2.7
169.10158	12.0
170.10838	1.5
171.11717	14.8
172.12543	1.3
173.09732	3.1
173.11787	1.8
173.13287	32.4
174.14063	3.7
175.11223	3.4
175.14851	2.0
177.12811	1.9
181.10092	1.0
182.10869	1.8
183.11700	12.8
184.12431	3.3
185.13284	4.6
187.11194	8.4
187.14803	5.5
189.12842	1.6
195.11783	2.2
196.12523	1.2
197.13306	10.9
199.11221	1.4
199.14870	31.1
200.15353	1.1
201.12798	7.9
209.13237	3.0
209.69748	1.1
210.14148	1.9
211.14784	3.3
213.16423	14.9
214.17111	4.9
215.14409	3.5
215.17987	9.0
224.15695	1.1
229.06206	1.9
229.19502	1.8
239.18011	16.8
242.16623	1.0
243.55464	1.1
245.16606	1.1
257.04395	1.1
257.08243	1.6
257.19046	100.0
257.26706	69.2
258.19482	2.5
258.27969	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	259.0654
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32656	2.3
53.03942	10.3
53.13469	2.8
55.01870	8.2
55.05505	6.3
56.05038	3.0
56.96310	4.0
56.96571	61.4
57.03444	16.1
59.05005	3.5
61.02929	20.3
65.03957	3.2
67.05496	4.8
68.99782	3.2
69.03431	72.3
69.07059	5.7
70.06583	11.3
70.10505	4.4
70.10851	10.7
71.01343	4.4
71.04986	12.3
71.95261	3.3
72.08152	10.5
73.02922	18.9
79.05499	4.3
81.03423	25.8
83.01313	3.1
83.04977	8.8
83.06073	4.6
84.04494	10.8
84.08157	17.6
84.96033	18.7
85.02910	100.0
85.06533	3.8
85.08475	2.9
86.06036	2.4
86.06880	3.6
86.09695	12.8
87.04469	16.8
87.04907	3.0
91.03945	7.7
91.05479	11.9
93.07038	2.9
93.49526	2.6
95.04959	6.3
97.02301	4.5
97.02899	82.9
98.97590	86.1
99.04444	12.2
100.02196	3.2
101.02397	4.2
103.09502	3.3
105.07025	4.4
107.04946	4.5
109.02863	13.4
109.06519	4.1
110.97578	41.7
111.04428	6.4
112.99169	6.0
113.02355	3.3
116.98614	27.8
119.01839	8.0
121.02932	3.2
123.04421	6.3
124.99142	3.7
127.03918	30.4
128.98608	35.7
129.01787	3.3
129.06964	4.6
129.10252	4.3
131.00131	6.6
134.99683	7.3
137.05978	22.2
139.03909	3.9
141.05476	5.0
143.00171	10.3
144.10210	5.6
144.98138	4.0
145.01764	3.2
145.04958	11.1
145.10492	6.1
146.99670	13.9
147.03244	3.8
149.02338	22.0
157.06476	4.2
158.99657	10.8
161.01210	10.5
161.05899	3.5
163.04015	3.9
167.07048	7.1
169.04961	6.7
170.99643	10.8
171.01070	2.7
173.01283	3.5
173.02815	3.5
177.00676	6.5
178.03862	17.2
179.00098	7.1
181.01761	7.0
182.03352	8.1
182.99687	4.8
184.00496	3.1
187.02843	4.5
187.04375	20.3
189.00790	5.6
191.03874	3.8
194.95520	3.6
196.04901	7.2
197.01208	8.8
199.02707	4.3
201.00739	10.4
209.03307	4.9
211.02789	12.1
213.05475	14.0
213.07483	2.8
214.05235	4.9
219.01750	61.9
229.03780	21.6
231.06683	12.5
231.08846	3.5
235.99635	3.8
237.00479	4.0
237.02826	70.6
241.08467	3.6
250.05959	7.6
253.03854	4.9
259.06418	79.0
259.16754	5.2
259.56769	8.1
271.04947	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	257.1901
Annotation	3-Deoxyestradiol
Peak:m/z	Relative Intensity
55.05522	10.2
57.03447	14.8
57.07080	7.4
58.07407	1.7
61.98421	1.6
67.05511	14.3
69.03435	2.0
69.07080	8.8
70.06607	12.1
71.04985	3.3
71.06930	3.0
71.08628	1.8
71.50717	2.2
71.78893	1.5
73.65144	1.5
79.05493	11.0
80.84197	1.6
81.07076	15.0
83.08620	7.0
85.06545	2.9
86.36700	1.5
88.07639	14.0
89.08013	3.8
91.05486	21.3
93.07064	9.0
95.08170	1.4
95.08621	17.2
99.08075	5.4
102.09178	9.1
103.09487	5.1
105.07048	17.3
107.08617	3.2
109.06554	1.9
109.10150	5.3
115.05463	2.5
116.06209	2.7
117.07024	41.8
119.08585	12.9
121.10162	3.1
128.06223	6.6
129.07021	32.5
130.07800	4.6
131.08588	35.4
133.10133	10.0
141.06990	6.7
142.07806	3.9
143.08572	29.5
144.09270	3.5
145.10138	65.7
147.08025	3.8
147.11684	7.2
149.09598	1.9
153.01845	2.5
155.06021	2.3
155.08530	11.3
156.09352	2.8
157.08966	2.6
157.10153	35.6
157.11285	1.3
159.11703	56.1
161.03046	1.7
161.09653	1.9
161.13303	2.3
169.10150	17.9
171.11736	17.5
173.13315	20.3
175.11179	3.1
181.10153	2.1
183.11705	17.2
185.13275	92.9
186.13669	2.2
197.10020	1.5
197.13252	12.7
199.14873	2.9
201.16357	7.4
210.13980	2.9
211.14818	4.4
213.16321	1.8
225.20364	1.8
229.06013	2.5
229.19504	5.8
239.17979	37.2
257.05692	2.1
257.08069	4.4
257.19043	98.6
257.26700	100.0
258.19461	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	257.1901
Annotation	3-Deoxyestradiol
Peak:m/z	Relative Intensity
53.00302	2.2
53.03943	1.6
53.43201	0.9
55.01859	2.9
55.05277	0.7
55.05513	10.8
57.03425	2.9
57.07078	1.2
65.03952	0.9
67.05508	23.3
69.03417	2.6
69.07066	7.2
71.01342	1.2
71.04975	3.3
71.51685	0.8
71.52063	1.0
71.89165	0.8
76.95123	0.8
78.03856	1.0
79.05498	13.1
79.57558	0.8
81.03410	0.9
81.07056	18.5
83.04966	2.7
83.08615	3.8
85.02898	1.6
85.06547	1.1
91.05489	23.2
93.07052	12.2
95.04961	3.2
95.08612	15.4
97.06523	3.8
97.10139	1.4
99.00819	10.4
105.07031	17.9
107.08595	7.3
109.06534	2.6
109.10170	6.9
111.08094	1.6
113.02386	1.9
115.05435	3.1
116.06215	2.1
117.07026	30.3
117.80787	0.7
119.08586	16.0
121.06510	2.6
121.10140	4.9
123.08116	1.0
123.11678	0.8
125.09649	1.2
128.06256	4.9
129.07008	14.9
130.07826	4.5
131.08580	55.4
133.06494	4.6
133.10146	10.3
135.08038	2.8
135.11729	2.2
137.09598	2.0
141.01859	2.4
141.06984	6.9
142.07787	4.6
143.08569	20.8
144.05672	1.0
144.09395	1.3
145.06506	5.0
145.10132	76.7
147.08047	3.5
147.11703	7.2
149.09656	2.5
154.07803	1.7
155.06004	1.1
155.08565	10.1
156.09360	1.9
157.10135	22.7
159.08057	4.8
159.11703	28.4
160.08907	1.0
161.09671	5.4
161.13295	2.9
163.11186	3.2
165.12758	1.7
167.08638	1.3
168.09338	2.5
169.10120	14.5
170.19286	0.9
171.11705	19.2
172.08856	1.0
173.09668	5.3
173.13272	13.8
175.11192	5.2
175.14850	1.5
177.12764	1.7
181.10149	1.3
182.10965	1.8
183.11703	15.7
185.13306	4.2
187.11145	8.2
187.14807	1.7
189.12747	2.0
196.12450	1.4
197.13280	14.7
199.14868	5.2
201.12683	4.3
211.14885	4.4
213.16396	4.5
215.14278	4.6
215.17987	2.7
229.15996	1.1
229.19485	6.5
239.17970	31.5
257.02713	1.3
257.19031	100.0
258.19366	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1902
Annotation	Montiporyne F
Peak:m/z	Relative Intensity
53.00306	2.7
53.03938	2.2
54.36915	1.0
55.05510	4.8
57.03436	2.8
57.07063	1.7
62.60460	1.1
67.05511	8.1
69.03418	2.2
69.07066	3.9
71.01394	1.0
71.02290	2.0
71.02625	1.0
71.08611	1.8
79.05480	5.8
81.07060	10.4
83.04996	5.3
83.08616	1.9
85.02880	1.2
91.05484	19.1
91.82298	1.1
92.06277	1.7
93.07054	10.4
95.04951	1.8
95.08625	8.6
99.00814	6.8
99.08091	1.4
100.57199	1.0
105.07043	21.7
107.04960	2.2
107.08609	5.4
107.90559	1.1
109.06511	1.1
109.10168	8.1
113.02315	1.3
115.05435	1.4
116.06249	1.1
117.07047	7.0
119.08591	33.5
120.09383	9.4
121.06541	2.4
121.10134	8.1
123.08066	1.3
123.11713	1.5
125.09644	1.5
129.06996	6.2
130.07742	1.7
131.08574	37.0
133.10121	6.7
135.08104	2.5
135.11676	2.2
137.09622	7.6
141.01834	2.6
141.06966	1.9
141.13864	4.3
142.07785	1.7
142.12286	17.5
142.13316	1.9
142.55208	0.9
143.08559	9.6
144.09338	6.3
145.10135	23.6
147.08078	6.3
147.11697	4.6
149.09694	1.6
155.08578	3.7
156.09348	1.8
157.10155	4.9
158.10916	13.7
159.08029	3.1
159.11716	5.9
159.14935	3.1
161.13300	1.6
163.11211	1.1
168.09294	1.8
169.10155	2.8
170.32416	1.0
171.11722	4.3
172.08754	1.9
173.09653	3.0
173.13272	100.0
174.13649	1.6
177.12828	1.3
183.11690	4.3
186.10416	1.8
187.11162	1.8
189.12811	1.4
195.11652	1.3
197.13289	4.6
199.14804	4.8
201.12756	10.7
201.16281	1.2
209.13387	1.2
210.14108	1.4
211.14798	1.7
213.16541	2.1
215.17975	3.8
228.56616	1.1
229.06134	3.1
229.19588	2.5
239.17967	6.0
257.15567	3.1
257.19025	60.1
257.22052	2.0
257.26657	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1902
Annotation	3-Deoxyestradiol
Peak:m/z	Relative Intensity
53.03939	1.4
55.01871	1.0
55.05513	9.5
57.03421	1.3
57.07060	1.0
65.03939	1.3
67.05510	22.4
67.88148	0.6
69.07078	4.9
69.15778	6.6
69.18436	0.6
71.04980	1.4
73.07063	0.6
75.09711	0.6
75.52711	0.6
79.05495	14.2
80.23960	0.6
81.06596	0.8
81.07060	15.6
83.05001	0.6
83.08625	3.2
85.06544	0.7
91.05487	20.8
92.05788	0.7
93.07053	10.8
95.04964	0.8
95.08614	18.9
97.06517	0.8
97.10172	1.7
100.97368	0.6
103.05453	1.4
105.04527	0.6
105.07038	21.9
107.04930	1.0
107.08603	7.0
109.10161	7.0
113.09676	0.7
115.05455	2.4
116.06242	1.8
117.07025	26.9
119.08585	16.6
121.06465	0.7
121.10162	5.3
123.08079	0.7
123.11720	1.2
125.09657	0.7
128.06221	4.1
129.07014	10.4
130.07782	5.8
131.08580	36.6
133.06467	3.0
133.10138	14.5
135.08060	1.1
135.11699	2.2
137.09637	1.1
141.06992	4.5
142.07774	2.6
143.08563	14.3
144.05672	0.9
144.09352	1.5
145.06505	6.0
145.10133	77.7
146.10574	0.9
147.08070	2.8
147.11685	12.8
149.09648	0.9
149.13354	0.7
153.07016	0.8
154.07777	1.6
155.08565	5.8
156.09290	0.8
157.08945	1.1
157.10150	12.0
158.07324	1.1
158.10863	0.8
159.08054	1.8
159.11710	23.6
160.12294	0.9
161.09613	2.6
161.13287	3.9
163.11220	1.4
167.08597	0.9
168.09323	1.9
169.10158	11.4
171.11699	17.2
172.12051	0.7
173.09659	2.6
173.13271	9.4
175.11200	2.9
175.14780	1.0
181.10101	0.7
182.10899	0.9
183.11711	9.7
185.13271	4.9
187.11188	15.4
187.14804	6.0
189.12737	1.1
195.11623	0.9
197.13254	10.5
199.14856	1.6
201.12781	2.2
201.16458	1.6
210.14085	0.6
211.14816	2.8
213.16409	2.3
215.14354	2.0
229.06142	1.1
229.19531	43.7
239.12830	0.7
239.17969	15.4
257.19025	100.0
257.30328	6.6
258.19397	2.3
259.94974	0.6
261.93549	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1748
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83991	2.2
55.05509	11.4
57.03441	17.5
57.07063	5.6
57.14465	2.3
58.99283	2.1
67.05185	3.2
67.05510	51.8
69.07079	22.1
69.22482	2.1
71.04992	12.3
71.51405	2.2
71.51799	2.4
79.05481	9.8
81.07060	93.1
82.15927	2.1
82.24538	2.1
83.08621	8.3
85.06545	25.4
91.05471	7.3
93.07024	8.8
95.08617	100.0
97.06517	3.9
97.10134	3.9
99.08086	5.7
105.07040	8.6
105.50236	2.6
107.08551	3.5
109.10167	2.7
119.08575	9.1
121.10114	5.0
123.11715	5.5
130.62718	2.0
135.11664	2.9
140.06854	4.9
147.11719	20.3
165.12758	9.8
183.11635	2.1
183.13802	6.8
184.57936	2.1
185.31168	2.1
224.85378	2.3
257.07959	2.9
257.15134	5.4
257.17487	39.3
257.22549	5.8
257.26703	21.6
258.14661	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	257.1902
Annotation	3-Deoxyestradiol
Peak:m/z	Relative Intensity
52.29089	1.4
53.03940	2.1
55.05518	10.6
57.03448	2.3
57.07071	2.6
65.03928	2.2
67.05128	1.9
67.05507	34.9
69.07074	11.8
70.06572	1.6
70.24917	1.4
70.75114	1.6
70.92493	3.9
71.04989	4.9
72.08145	6.0
76.60477	1.5
79.05497	10.8
79.62630	1.3
81.07070	25.7
81.82698	1.3
83.08605	3.4
85.06549	2.4
88.07619	1.4
89.08798	1.3
90.09179	2.7
91.04984	1.9
91.05492	26.7
93.07041	5.2
95.08610	8.4
96.14226	1.6
97.10162	1.9
98.20805	1.4
105.07045	14.4
107.08566	4.0
109.10168	5.8
115.05439	8.0
116.06233	4.4
117.07027	53.5
119.08565	9.2
121.10181	3.2
123.11791	2.1
128.06221	10.6
129.07021	44.8
130.07791	5.5
131.08577	100.0
133.10146	14.2
141.06990	26.0
142.07791	6.7
143.08575	33.7
145.06482	2.6
145.10132	97.0
147.08087	2.5
147.11691	4.7
149.09631	2.5
153.07033	3.0
154.07809	5.1
155.08554	21.9
156.09361	2.6
157.10144	37.7
159.08063	4.8
159.11703	51.9
167.08583	2.8
168.09370	3.8
169.10129	25.1
171.11702	48.4
173.09660	2.0
173.13280	21.9
174.89516	1.4
175.11211	5.0
182.95258	1.3
183.11711	41.9
185.13301	6.3
187.11288	2.8
187.14850	2.7
189.03436	1.6
196.12521	3.1
197.13277	33.2
198.13995	1.7
199.14859	2.8
211.14859	4.7
213.16345	2.8
215.17960	1.6
229.19690	2.9
239.17949	49.4
240.09705	2.5
257.04874	1.5
257.19031	62.4
257.22186	2.8
257.22833	2.8
257.26645	8.6
258.27887	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	257.1748
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35224	1.2
53.03934	1.4
55.05317	1.3
55.05518	10.9
55.46271	1.2
57.03439	20.3
57.07067	5.3
65.03933	2.2
67.05508	48.5
69.06738	1.5
69.07073	22.7
71.04997	10.4
71.25002	2.9
73.98302	1.1
79.05493	13.9
80.70865	1.2
81.07059	100.0
83.04969	2.3
83.08611	7.1
85.06541	22.9
88.07616	2.2
91.05466	8.4
93.07039	7.0
94.43581	1.1
95.08611	95.3
96.67410	1.3
97.06520	4.1
97.10134	2.0
99.08078	4.3
101.05966	1.5
101.98479	1.2
102.09145	1.9
105.07041	8.8
107.08584	4.8
109.10141	3.5
119.08568	11.6
121.10143	5.2
123.11688	6.2
131.08543	2.9
133.10138	1.6
135.11679	2.1
137.13249	4.6
140.06880	2.0
143.08617	1.2
145.10080	3.3
147.11703	18.4
159.11685	4.8
165.12762	12.1
169.31445	1.1
175.14838	1.4
183.13820	6.4
187.14888	2.0
201.14848	1.9
201.16460	2.4
222.11552	1.2
257.15469	1.7
257.17441	37.8
257.22659	12.2
257.26672	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	257.0811
Annotation	Pinocembrin chalcone
Peak:m/z	Relative Intensity
50.84507	0.3
53.03942	0.5
55.01878	0.4
55.05506	0.7
67.01876	3.3
67.05504	1.1
68.99796	2.0
69.03424	1.9
69.07070	0.5
71.01391	0.4
71.04980	0.4
79.05499	3.5
81.03439	0.4
81.07056	1.3
83.04977	0.5
85.02901	0.5
91.05495	4.4
93.07042	1.0
95.04963	0.8
95.08613	1.6
97.02892	1.1
97.06565	0.4
97.10139	0.4
99.00826	1.4
100.17985	0.3
103.05476	25.8
105.03402	0.7
105.07044	1.4
107.04960	2.8
107.08633	0.7
109.10194	0.8
111.00791	0.8
117.07041	0.5
119.08603	1.6
121.10144	0.9
123.04417	1.2
125.02392	0.5
127.03929	0.5
129.01840	0.4
129.07057	0.5
131.04941	45.9
131.08554	1.0
132.05203	0.6
133.10126	0.6
141.06966	0.7
143.08559	0.9
144.09305	0.5
145.06509	1.0
145.10124	0.8
147.08083	0.9
151.03934	2.8
153.01840	100.0
154.02188	1.0
156.09323	0.4
157.10147	0.9
159.11761	0.5
165.07018	0.4
169.10124	0.7
171.02908	3.0
171.11678	0.6
173.06012	3.0
173.13237	0.9
179.03441	1.8
181.53587	0.3
183.11746	0.5
187.08685	1.0
187.11208	0.4
187.14804	0.4
191.07039	1.1
197.09535	0.6
197.13248	0.6
199.14795	0.8
201.12741	0.5
211.07552	0.5
213.06558	0.8
215.07042	1.4
218.80447	0.4
229.06244	0.6
239.07144	0.7
242.10448	0.6
257.08105	93.4
257.18866	2.2
258.08441	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.0511
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.4
55.01873	5.8
55.05513	2.4
56.96561	13.2
57.03445	10.4
58.99873	6.4
59.05003	2.3
61.02937	8.9
67.05527	1.7
68.98293	2.2
69.03436	25.8
69.34465	11.3
69.34880	3.5
70.99860	3.0
71.01356	11.1
71.04988	6.2
73.02911	11.8
77.00909	4.1
81.03432	9.1
82.96988	2.0
82.99856	3.5
83.01366	2.0
83.04998	3.8
85.01405	5.5
85.02913	31.5
86.99360	1.7
87.04497	3.3
88.02686	1.6
89.00882	2.2
94.02686	2.3
94.99780	1.7
95.04979	3.2
97.01423	4.7
97.02900	38.5
97.07657	2.7
98.97592	30.7
99.02960	3.1
99.03857	1.9
99.04467	6.3
100.40107	1.6
101.00883	24.7
101.02412	3.5
101.03458	3.0
103.00657	2.1
103.02454	6.0
108.04237	2.8
109.02892	6.2
110.03979	2.8
110.97569	7.0
111.02155	3.5
111.02938	28.0
112.03718	2.1
112.99158	2.7
113.00852	10.3
113.02374	6.1
115.02448	14.8
115.03979	2.5
116.02566	2.5
116.98633	7.4
117.02987	2.0
117.04011	8.9
119.01933	28.0
120.02654	3.3
123.02975	2.4
123.05585	5.7
124.99133	2.2
125.04443	2.2
125.07117	19.5
126.98769	3.0
127.02422	8.4
127.03925	6.9
128.98607	5.3
129.03128	3.8
129.03989	100.0
131.00256	2.0
131.01915	15.5
131.04532	1.9
131.05562	3.3
132.03482	4.6
133.03485	9.4
134.03635	1.8
134.06012	7.2
135.05023	1.9
137.03015	1.8
138.03452	3.8
139.04243	3.0
140.02382	2.0
141.03978	3.0
143.00191	2.8
143.01920	10.9
143.05548	90.7
144.99834	9.9
145.01656	3.7
145.03471	18.1
145.04997	2.9
145.07095	9.4
146.99699	2.2
147.01337	3.2
147.05026	60.6
149.06659	2.1
152.05060	5.0
152.07053	12.3
153.03987	3.4
153.06602	3.7
154.03740	2.1
154.04787	5.7
155.01862	9.5
155.05527	1.9
157.03484	9.8
158.03554	2.1
158.99733	4.1
159.01410	3.4
159.05029	10.3
160.54941	2.5
161.03033	9.4
161.05518	64.4
161.06647	77.1
161.55634	7.4
162.03424	1.9
163.00955	3.9
163.02702	3.8
163.04420	9.1
163.08177	8.4
167.03670	2.1
167.05489	2.4
168.04503	2.2
169.03357	2.9
170.06166	16.6
170.56281	2.7
171.01447	3.3
171.05069	14.5
173.02914	8.2
175.04520	13.8
176.06071	4.5
177.04231	4.0
177.06088	6.2
179.02208	5.1
181.05589	3.7
183.05048	4.2
185.03008	6.4
187.01047	1.9
187.04565	3.8
187.08266	2.2
189.02454	3.1
189.06105	30.7
190.02753	3.3
192.04793	4.9
193.05527	2.0
195.05089	2.6
195.07040	2.7
197.03175	3.3
199.04543	2.6
201.02423	1.9
203.04053	3.0
205.05557	2.2
207.07182	36.4
211.04503	7.4
213.02402	3.7
213.04305	3.3
213.06136	3.6
215.04089	4.8
219.01817	2.2
221.03291	3.0
221.05173	4.0
223.06604	4.2
227.04361	2.1
229.05585	16.4
231.03543	5.9
231.07150	2.9
233.01445	5.8
234.01663	6.9
239.04251	14.7
245.04948	3.1
251.02499	7.5
252.02676	7.9
257.03015	4.5
257.05038	17.7
257.11368	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	256.3001
Annotation	N-Methyldioctylamine
Peak:m/z	Relative Intensity
53.88505	0.2
54.60037	0.2
55.05497	0.5
57.06793	0.3
57.07080	5.7
58.06592	1.9
60.08168	21.6
65.54023	0.2
67.05501	0.2
68.51862	0.2
70.06584	0.2
70.56429	0.5
70.56795	0.2
71.08633	2.8
73.11563	0.2
85.10180	1.2
88.07598	0.3
90.40531	0.2
96.75424	0.2
227.10814	0.2
231.32526	0.2
256.30005	100.0
257.30316	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.9646
Annotation	Unknow
Peak:m/z	Relative Intensity
54.91196	0.4
54.98650	0.4
56.96304	0.7
56.96571	11.9
58.19880	0.4
69.78324	2.1
71.95264	3.6
98.21438	0.5
98.97591	100.0
116.98633	32.2
119.01894	0.7
130.93309	1.3
134.99670	5.4
140.00169	0.5
172.94365	4.8
187.87949	0.5
190.95410	2.3
213.71698	0.4
214.95375	2.7
232.96486	4.5
250.97488	1.1
251.49274	0.4
251.99355	0.5
256.96466	13.7
263.02863	0.6
274.97531	46.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.9648
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.6
55.05512	0.3
56.96568	14.1
57.03436	1.5
59.05016	0.3
59.74767	0.2
60.99390	0.3
61.02927	1.0
67.05499	0.3
69.03442	2.5
70.06593	0.4
71.01366	1.9
71.05007	0.6
71.39275	0.4
71.95266	3.9
72.08170	0.6
73.02915	1.3
76.16048	0.2
81.03419	1.1
83.04982	0.6
84.08167	0.4
84.96039	1.3
85.02908	3.0
87.04503	0.4
89.00751	0.3
95.00777	0.3
96.04467	0.4
97.02891	2.2
98.97591	100.0
99.04472	0.3
101.00903	0.6
101.02381	0.3
108.99052	0.3
109.02927	0.5
110.97572	1.7
111.01984	0.3
112.99144	0.5
113.00864	0.8
113.02365	0.8
114.12259	0.3
115.02435	0.4
115.03954	0.4
115.99085	0.3
116.01280	0.3
116.98627	34.0
119.01907	1.2
120.02600	0.8
123.05570	0.4
124.99101	0.5
125.07059	0.3
125.70676	0.2
126.97063	0.5
127.03938	0.8
128.98575	1.3
129.01936	0.3
129.03096	0.7
129.04027	0.9
130.93292	1.4
131.00142	0.5
131.01907	1.1
134.99667	6.5
138.97063	0.4
139.02432	0.3
140.00227	0.6
140.02388	0.3
140.98627	0.5
143.00160	0.8
143.01897	0.4
143.05563	0.6
144.98123	0.5
145.01767	0.4
145.03464	0.8
145.04994	0.3
146.02353	0.4
147.05029	0.4
148.03897	0.5
148.94377	0.3
153.00748	0.4
153.55894	0.4
154.03903	0.4
155.01857	0.4
156.98088	0.8
157.03529	0.3
158.01353	0.3
158.99673	0.8
161.01253	0.8
161.02911	0.6
161.04701	0.3
161.06612	0.9
163.04433	0.4
168.98163	0.7
170.05249	0.5
170.99695	0.4
172.94353	5.5
173.01277	0.6
173.03003	0.4
174.99100	0.7
176.03383	0.5
177.00792	0.4
177.04329	0.3
179.02316	0.9
182.99756	0.3
186.99251	0.3
187.04425	0.3
190.95401	2.4
192.04694	2.5
196.97551	0.3
197.03136	0.4
198.99199	0.5
201.00681	0.3
204.97321	0.3
208.96451	0.3
214.95386	2.8
214.98659	1.3
217.00331	0.4
221.03333	1.2
221.05205	0.3
222.05637	1.4
232.96512	4.4
232.99683	1.1
237.02786	0.3
239.04405	1.8
250.97551	1.5
251.02621	0.4
256.96466	10.8
257.05148	1.6
257.11453	0.6
274.97525	44.8
275.97998	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1594
Annotation	Gliocladic acid
Peak:m/z	Relative Intensity
55.01869	6.4
55.05508	18.8
57.03424	13.5
57.07071	8.6
67.01844	3.6
67.05514	30.5
69.03436	27.5
69.07077	22.9
70.49893	9.4
71.04980	12.0
73.02907	4.7
76.62209	2.5
79.05502	23.1
81.03410	3.7
81.07065	79.3
83.04987	9.9
83.08617	10.2
85.02921	38.8
85.06560	29.6
87.05856	3.4
90.01517	3.0
91.05493	18.6
93.07055	37.6
95.04977	7.1
95.08072	4.3
95.08622	56.7
97.02888	5.4
97.06548	11.3
97.10173	6.1
98.97576	3.3
98.97821	3.5
98.98476	40.3
99.04453	3.8
99.08080	6.7
100.98882	4.2
103.05448	7.5
105.07037	34.9
107.08607	39.0
109.06514	12.2
109.10187	29.8
111.04447	7.1
111.08080	11.2
113.02379	100.0
113.06005	4.0
115.03940	31.7
115.05356	2.9
117.07018	8.5
119.08603	27.5
121.03002	3.1
121.06483	6.5
121.10164	23.4
123.04424	6.7
123.05624	3.4
123.08073	6.6
123.11723	48.2
125.05993	4.9
125.09612	4.4
129.05470	9.8
129.06882	3.8
131.03386	5.8
131.04892	6.7
131.08592	23.9
133.10139	33.7
135.08073	5.6
135.11720	16.1
137.09616	3.3
141.07005	3.4
141.12695	3.1
142.07639	4.2
143.08569	8.5
145.10147	18.1
147.01448	3.3
147.11703	18.3
149.09666	6.2
149.13266	13.9
151.11208	7.0
155.07010	4.4
155.08461	3.7
157.10138	8.9
159.11699	14.6
161.09592	5.6
161.13249	13.3
163.11139	4.9
163.14847	5.5
164.19235	3.1
165.12779	4.5
171.11702	8.5
173.13309	24.0
177.12715	6.1
177.16336	3.0
179.10620	14.4
181.12315	4.5
183.11794	3.4
189.12866	3.4
191.14316	8.1
195.08047	2.9
197.11732	7.9
197.13338	5.7
199.14879	5.1
201.12730	7.9
201.16383	3.4
209.11475	3.3
209.15378	15.1
219.13803	25.9
219.17480	5.7
223.07626	3.8
225.14793	5.9
237.12599	6.0
237.14862	92.0
237.18391	15.2
255.06638	4.6
255.10320	9.3
255.13544	6.2
255.15660	29.1
255.21312	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	255.1227
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.4
55.01867	2.1
55.05505	1.0
57.03435	3.6
57.03681	0.8
67.05492	2.4
68.05002	1.0
69.03424	2.7
69.07051	1.2
69.64005	4.0
70.06593	1.0
71.05000	1.4
72.08157	1.5
75.04459	0.9
79.05495	2.6
81.03419	1.3
81.07050	2.4
83.18056	0.8
84.08154	1.6
85.02905	2.2
91.05485	13.0
93.07059	10.1
95.04984	4.0
95.08624	2.0
97.02896	2.4
98.08763	0.8
98.21577	1.4
98.97602	1.2
98.97725	1.3
98.98470	21.0
103.05482	10.1
105.04570	1.3
105.07024	2.2
107.04963	2.0
107.08591	1.0
109.06487	1.9
109.10142	1.5
109.19420	1.1
110.07166	3.4
111.04440	1.2
117.06979	1.0
119.04937	2.8
119.08576	1.6
120.08151	1.2
121.02857	1.7
121.06511	14.1
123.04423	5.6
123.05554	0.9
125.09618	0.9
127.03996	1.2
130.04991	1.3
131.04951	1.9
131.06003	0.9
131.08575	0.9
135.04468	1.2
135.08125	1.9
136.05177	2.2
137.05969	5.8
145.10138	1.1
147.04376	1.1
149.05991	26.7
149.09621	1.0
151.03915	21.6
151.07561	2.8
159.11719	0.9
163.07536	1.3
164.10735	0.9
165.06955	0.8
166.06262	100.0
167.06966	1.3
167.08498	0.8
176.98892	1.1
178.06271	1.9
179.07069	5.9
180.07794	1.0
181.08600	44.4
193.08554	1.1
195.08131	1.3
199.09694	1.1
199.70641	0.9
223.07425	1.0
237.14862	1.0
255.08554	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.0979
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.6
55.01871	1.8
55.05507	0.4
56.96568	1.7
57.03448	3.8
58.49473	0.3
60.66817	0.3
61.02935	1.8
61.03178	0.3
64.12836	0.3
67.60082	0.3
69.03430	4.1
70.35887	1.2
71.01360	3.1
71.04977	0.4
72.55798	0.3
73.02918	6.9
78.03453	1.0
80.05022	2.9
81.03417	0.6
82.99817	0.5
84.96021	0.5
85.02907	5.0
85.94389	0.3
87.04474	1.3
95.01357	0.3
95.73177	0.4
96.04493	0.8
97.02901	3.7
98.97590	4.9
99.04460	0.7
101.00874	1.5
102.00963	0.5
103.00636	0.6
103.03912	0.4
106.02916	5.8
110.97561	0.7
111.02041	0.9
112.99111	0.5
113.00867	1.0
113.02399	0.7
115.02470	0.7
115.03947	1.7
116.98619	1.0
119.01917	1.4
120.02593	1.3
121.01692	0.5
123.05560	100.0
124.05878	0.9
125.06489	0.3
127.03894	0.8
128.98611	0.7
129.01866	0.5
129.03117	0.6
131.01897	0.8
133.03474	0.4
133.04990	1.5
136.63991	0.3
139.04292	0.4
143.00142	0.4
143.01927	0.9
145.03453	0.6
147.03056	0.3
148.73737	0.3
155.01871	0.8
157.03491	1.3
158.03555	0.5
158.99654	0.5
161.01262	0.6
161.02945	0.7
161.04698	0.4
165.03979	0.4
170.03510	0.3
171.01321	0.3
173.02972	0.5
174.03616	0.5
175.02704	0.6
175.04338	0.4
179.02237	0.7
182.99776	0.5
183.01486	0.3
185.02917	0.6
187.00862	0.4
199.03587	0.6
203.04170	0.3
220.04237	1.7
223.06580	0.8
224.06804	0.5
225.06435	0.4
239.04318	0.6
243.05434	0.4
255.03816	0.5
255.06740	0.4
255.09810	0.5
255.13693	0.4
256.03131	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	254.1389
Annotation	Tuberostemospironine
Peak:m/z	Relative Intensity
53.03950	1.2
55.01860	1.1
55.05524	1.1
56.05054	1.4
56.96577	2.5
57.03450	2.2
60.04519	7.0
61.02923	1.2
61.04873	1.1
67.05513	2.1
68.05033	1.1
69.03438	4.4
69.07082	2.7
70.06584	5.4
71.01383	1.8
71.04997	100.0
71.50056	1.2
72.08168	3.5
75.04493	1.1
77.90246	0.9
79.01923	0.9
79.05503	2.8
80.05026	1.7
81.03423	2.0
81.04552	1.5
81.07075	1.9
83.04992	1.0
84.04520	1.2
84.08172	1.7
84.96070	1.1
85.02926	3.0
86.09728	2.7
87.04479	1.5
88.07627	8.5
91.05475	6.2
93.07041	2.5
93.51005	0.9
95.04960	1.6
95.08671	1.1
96.04481	1.1
97.02900	3.2
97.60803	1.0
98.97614	3.6
98.98475	22.8
103.03977	2.8
103.05462	11.5
105.07035	10.9
107.04928	4.8
110.97601	1.0
116.98649	1.4
117.07042	1.3
120.08112	70.2
121.02908	3.2
121.06544	1.5
121.08433	6.3
122.06131	1.3
122.07049	0.9
123.04410	1.4
125.09032	0.9
130.06564	1.8
131.04982	2.9
132.08080	1.8
134.06050	1.1
137.06027	1.8
138.84335	1.0
140.03423	0.9
144.08138	2.6
145.10170	1.3
146.06064	1.8
147.04445	1.2
151.00452	0.9
155.08626	1.8
159.02902	6.3
160.11224	1.7
162.09232	2.4
164.07062	1.0
166.05066	1.4
166.08632	9.0
167.09035	3.1
168.05194	2.2
170.09697	1.7
172.11256	2.8
180.05237	1.4
190.08714	1.9
190.12279	20.0
195.11398	1.5
208.10049	2.6
208.13335	83.5
218.08365	1.7
218.11832	2.0
219.05046	9.9
236.09236	2.3
236.12892	9.9
254.10201	3.5
254.13995	69.1
254.16057	2.8
255.05194	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.0979
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.8
55.01865	2.1
55.05505	1.0
56.96569	10.0
57.03440	6.6
59.04992	0.6
61.02916	2.8
67.05504	0.9
68.98286	0.7
69.03435	8.1
69.07066	0.9
69.53349	0.4
69.63430	0.5
69.95097	1.4
70.06606	0.5
70.98129	0.5
71.01360	6.5
71.04987	1.1
71.95268	0.5
72.08164	0.6
73.02924	10.0
74.97606	0.8
78.03466	1.5
79.05488	0.7
79.30238	0.4
80.05017	3.0
81.03415	1.6
81.07072	0.7
82.89226	0.5
83.00809	0.5
83.05003	0.5
84.08147	0.5
84.96029	1.3
85.02426	0.8
85.02911	9.1
87.04461	1.9
90.22665	0.5
91.05447	0.5
95.04961	0.7
96.04473	0.9
97.01405	0.5
97.02898	7.3
98.97597	13.3
98.98433	2.7
99.04462	1.7
100.99159	1.0
101.00906	2.9
101.02391	0.5
102.01579	1.0
103.03940	0.9
106.02922	5.1
107.08582	0.5
109.02901	1.3
110.07190	1.0
110.97572	1.9
111.02110	1.0
111.04455	0.5
112.99141	0.9
113.00869	1.6
113.02377	1.4
115.02426	2.4
115.03948	2.5
116.98630	3.4
119.01942	3.0
120.02638	1.0
121.01609	0.6
123.05560	100.0
124.03918	0.8
124.05902	0.6
124.99119	0.8
127.03951	2.4
128.98584	2.5
129.01892	1.4
129.03094	1.7
131.01920	3.2
133.01604	0.5
133.03497	1.3
133.04991	1.8
136.93118	1.2
139.02509	0.5
142.01755	0.5
143.00198	1.1
143.01915	1.4
144.99855	1.0
145.01631	1.0
145.03459	1.9
145.04947	0.7
146.99680	0.6
147.03230	0.6
152.07045	0.8
154.94191	1.8
155.01913	1.5
155.04668	0.6
156.97668	0.5
157.03467	2.3
158.99727	1.8
159.01295	0.9
161.01186	0.9
161.03003	2.2
162.99197	0.5
168.04662	0.6
168.98050	0.5
171.01434	0.6
171.05009	0.7
172.95300	1.7
172.99405	0.7
173.01251	1.1
173.02988	1.4
174.04636	1.1
174.99147	0.9
175.02664	1.3
175.04585	1.3
177.00722	0.5
177.02493	0.7
177.04216	0.7
178.04926	0.6
179.02272	2.1
182.03165	0.5
183.05087	0.5
185.01331	0.6
185.02919	1.3
187.00940	0.6
187.02826	0.7
187.04520	0.8
188.09464	0.6
189.04353	0.5
202.98773	0.6
203.04027	1.1
205.00111	0.5
208.99651	0.8
210.07556	0.6
218.98151	1.0
219.01814	1.1
220.04219	1.5
221.03271	0.9
221.05159	0.7
223.06735	1.3
225.06146	0.8
227.03986	0.6
233.01491	0.7
238.84215	0.5
239.04407	3.0
247.24261	0.5
251.02603	1.2
255.04478	1.0
255.07176	1.1
255.09850	1.7
256.03067	1.3
273.08307	0.7
277.07788	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1803
Annotation	Juvenile hormone III acid
Peak:m/z	Relative Intensity
53.75785	0.4
55.01870	0.6
55.05518	3.3
57.03437	0.6
57.07077	2.0
58.94611	0.5
65.03949	0.4
67.05510	5.2
69.03426	1.3
69.07072	4.8
71.05000	4.2
79.05525	3.9
81.07072	6.3
83.04991	1.2
83.08630	1.9
85.02954	0.5
85.06553	1.1
91.05492	4.4
91.30654	0.5
93.07058	6.7
95.04986	2.8
95.08614	5.6
97.02931	1.1
97.06558	1.3
97.10202	0.7
98.98479	100.0
99.04435	0.6
99.08107	4.7
100.98901	1.0
105.07036	4.0
107.08614	8.9
109.06538	1.2
109.10172	9.6
111.04411	0.6
111.08131	1.2
113.02345	0.5
113.06020	3.2
116.99528	1.9
119.08600	3.4
120.17055	0.5
121.06523	1.2
121.10207	3.8
123.04418	0.8
123.08079	0.8
123.11716	2.4
125.09650	1.3
127.07605	0.5
127.11209	37.8
129.07094	0.7
131.08578	1.2
133.06522	0.7
133.10155	3.9
135.08075	1.7
135.11699	10.1
137.06030	0.6
137.09691	1.4
139.07564	0.6
140.01064	0.6
143.08559	0.6
145.10162	0.8
147.08035	0.7
147.11734	1.5
149.09669	0.9
151.07635	0.7
151.11209	0.8
151.84323	0.6
153.09117	1.3
153.12787	1.1
155.08566	0.9
156.09369	0.7
157.10202	0.8
161.09610	0.7
161.13249	1.1
163.11209	0.7
163.14925	0.6
165.07059	1.4
165.09106	1.1
167.10648	0.8
169.10220	1.0
171.11707	0.9
173.13364	0.6
174.99294	1.6
176.98869	1.3
177.12759	1.1
179.08568	0.9
179.10719	2.7
182.07320	0.6
183.11702	0.8
189.12811	0.9
189.16437	1.7
193.06506	1.3
193.12331	1.1
195.11728	0.6
197.09966	0.4
197.11812	1.0
207.08009	0.6
207.13751	0.8
207.17491	0.6
210.06783	0.6
217.15956	2.1
217.19565	0.6
221.06067	1.2
223.17033	1.9
225.09138	1.2
228.93138	0.6
235.16930	7.4
253.08553	3.2
253.12447	1.3
253.15686	0.5
253.17885	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	253.18
Annotation	(+)-Tremetriol
Peak:m/z	Relative Intensity
55.05514	7.9
57.07066	2.2
67.05509	11.7
69.03420	1.8
69.07074	9.6
69.57215	4.5
69.57624	2.6
71.05004	8.5
79.05492	6.6
79.55835	1.2
81.07055	11.9
83.04981	2.1
83.08618	4.5
85.06556	2.2
87.04479	1.1
91.05496	6.3
93.07050	14.1
95.04977	4.4
95.08607	8.4
97.06522	2.7
97.10174	3.6
98.21516	1.3
98.98475	37.4
99.08109	10.8
101.06036	1.2
105.07034	9.9
107.08595	22.1
109.06525	1.7
109.10172	20.7
111.08079	3.4
111.11726	1.6
113.06007	8.6
115.05450	1.3
119.08592	6.5
121.10148	5.3
123.08084	2.5
123.11708	4.6
125.06029	1.4
125.09667	2.5
127.07583	3.1
127.11205	100.0
128.11609	1.4
133.10152	6.9
135.08086	2.8
135.11700	22.9
137.06013	1.1
137.09631	3.0
139.07573	2.4
143.08588	1.2
147.08075	2.2
147.11691	5.3
149.09680	2.2
149.13283	1.8
151.07632	2.4
151.11197	2.4
153.09106	4.8
153.12762	3.2
157.10138	1.8
159.11746	1.7
161.09607	3.4
161.13264	2.3
163.11172	1.8
165.07094	1.4
165.09094	2.1
165.12840	1.4
167.10655	3.1
171.11736	1.3
175.11185	1.9
175.14757	1.1
177.12770	4.0
179.10745	9.5
181.12289	2.4
189.12718	2.7
189.16382	3.3
193.06738	1.0
193.12305	3.2
199.14798	1.2
205.15916	1.6
207.13763	2.4
217.15904	6.7
222.06548	1.0
223.16937	4.6
226.13464	1.1
235.13371	1.5
235.16942	21.9
253.08481	1.5
253.12431	1.6
253.17992	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	253.1799
Annotation	Isocedrolic acid
Peak:m/z	Relative Intensity
53.37529	0.7
53.50341	0.8
55.01859	1.4
55.05501	5.0
57.07070	1.8
59.04994	1.1
67.05501	7.6
69.03418	2.4
69.07073	7.5
71.04973	3.9
71.50862	1.0
71.51253	1.4
79.05501	5.0
81.07057	14.3
83.04988	5.7
83.08620	1.9
85.02888	1.0
85.06535	3.5
91.05492	6.1
93.07045	12.0
95.04961	3.4
95.08604	10.7
97.06535	2.4
98.98472	24.4
98.99135	1.3
99.08092	1.9
105.03386	1.9
105.07040	13.1
106.03726	1.6
107.04927	0.9
107.08597	17.3
109.06510	5.2
109.10162	8.2
111.04447	1.4
111.08057	3.1
113.05975	1.8
119.04909	1.0
119.08569	13.9
121.06493	4.6
121.10157	9.0
123.08041	3.4
123.11709	15.1
125.09638	1.3
127.07533	2.3
127.11175	1.5
128.06236	1.2
129.07013	1.9
131.08531	4.2
133.06404	1.0
133.10133	13.8
135.08052	5.7
135.11703	6.2
137.05981	0.9
137.09583	2.2
139.11143	1.3
142.07790	2.8
143.08560	2.5
145.10103	3.8
147.08025	2.8
147.11705	8.6
149.09605	5.8
149.13301	1.6
151.07558	1.5
151.11150	2.3
157.10138	8.6
159.11667	2.2
161.09622	8.4
161.13255	2.9
163.11195	7.1
163.14815	2.7
165.06946	1.3
165.12827	1.1
165.66644	0.8
170.10886	1.0
171.11716	1.3
173.13213	2.5
175.11232	8.2
175.14847	6.0
179.10632	2.2
189.12752	3.0
189.16371	19.8
191.14290	5.2
193.12296	1.2
199.14830	2.2
207.13904	1.0
216.21756	0.8
217.12369	1.9
217.15897	14.6
228.50194	0.9
235.16930	100.0
236.17363	1.9
253.08720	1.7
253.13866	1.4
253.17934	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	253.1439
Annotation	3alpha-Hydroxyoreadone
Peak:m/z	Relative Intensity
53.03945	3.9
55.01872	4.2
55.05522	9.7
55.16113	1.3
57.03438	2.1
60.40020	1.3
65.03957	2.9
67.05515	16.3
68.18144	1.2
69.03442	7.4
69.07081	11.2
71.04723	1.2
71.05012	13.9
71.30347	2.0
71.30687	1.5
76.23663	1.3
77.03950	2.1
79.05505	25.2
81.07068	49.2
83.04987	7.5
83.08632	4.0
85.06544	5.4
91.05501	21.1
93.07058	46.1
95.04984	13.7
95.08624	23.5
97.06551	16.7
98.97871	2.5
98.98486	38.7
99.04475	8.6
105.04522	1.9
105.07045	34.7
107.04982	5.5
107.08613	27.7
109.06538	37.7
109.10180	6.1
111.04467	1.7
111.08102	8.9
113.06036	3.4
117.07037	6.4
119.04966	2.7
119.08595	22.2
121.06523	100.0
121.10163	8.7
123.04420	6.3
123.08060	7.3
123.11785	2.6
125.06033	3.5
125.09650	3.7
127.07566	11.2
127.11201	1.3
128.06332	1.3
129.07025	5.2
131.08601	6.8
133.06526	5.3
133.10139	15.9
135.03545	1.2
135.04402	7.0
135.08098	12.2
135.11700	4.4
137.05986	5.6
137.09598	3.8
139.07558	20.9
141.05504	3.6
141.06975	2.0
142.07796	4.7
143.07074	1.4
143.07571	1.3
143.08574	11.1
145.10161	9.2
147.08041	6.3
147.11719	28.5
149.09604	6.6
151.07596	1.8
151.11246	1.8
155.08646	2.2
156.09343	3.6
157.06557	1.6
157.08765	2.0
157.10156	15.7
159.08066	1.8
159.11749	3.0
160.08940	1.4
161.09621	4.8
161.13293	16.7
163.11209	2.4
163.14841	3.1
165.05724	1.3
165.07062	3.0
165.12747	2.8
166.07835	3.0
167.10675	1.6
171.08066	1.4
171.11717	17.1
173.09708	2.1
173.13246	2.5
175.11201	18.6
175.14871	2.5
176.98894	1.3
179.10732	2.2
179.14320	1.5
181.04916	1.7
181.10158	7.5
184.08884	2.9
189.12766	25.7
189.16460	2.6
193.12283	16.7
199.11209	33.2
199.14957	2.5
205.15987	1.3
207.13794	9.3
211.13310	1.6
217.12271	80.2
217.15860	4.7
218.12595	1.5
228.26146	1.3
235.10997	1.5
235.13330	29.4
235.16875	8.2
253.05090	1.7
253.08467	2.4
253.10709	2.5
253.11870	1.9
253.14342	18.5
253.17929	8.2
262.96460	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1801
Annotation	Cryptomerone
Peak:m/z	Relative Intensity
52.21659	0.8
53.03935	1.5
55.05513	9.5
57.03426	1.0
57.07068	3.8
67.05508	6.5
69.03430	2.8
69.07073	10.6
70.41520	2.0
71.04997	7.5
73.14462	0.9
79.05488	6.3
81.07066	13.3
83.04975	1.9
83.08625	12.3
85.06543	2.0
91.05483	8.3
93.07053	15.1
95.04967	2.8
95.08614	14.2
97.06542	2.6
97.10168	2.9
98.98466	21.1
99.08101	1.1
101.06023	1.1
103.05488	1.0
105.07045	13.1
107.04942	1.0
107.08608	24.9
109.06512	3.5
109.09466	1.5
109.10162	13.2
111.08092	1.5
111.11734	1.3
113.06034	2.1
115.03928	1.6
117.07014	1.6
119.04965	0.8
119.08591	29.8
120.08165	1.4
120.09385	1.5
121.06551	1.3
121.10148	9.7
123.08073	2.4
123.11731	4.7
125.09639	2.7
129.06987	0.8
131.08548	2.1
133.06497	1.3
133.10126	13.0
135.08061	2.0
135.11702	100.0
136.12047	1.6
137.06013	1.6
137.09633	10.0
137.13249	5.2
139.07544	0.9
139.11214	1.0
142.07796	1.4
143.08607	2.7
145.10187	1.6
147.08052	2.7
147.09142	1.8
147.11685	10.2
149.09602	1.8
149.13245	2.7
151.07527	2.4
151.11192	7.2
157.10117	2.5
159.11662	1.9
161.09602	3.4
161.13289	5.9
163.11133	2.0
163.14821	2.9
163.16190	0.9
165.09138	2.6
165.12840	2.2
167.10669	1.6
169.10059	1.1
171.11711	2.3
173.13284	2.2
175.11131	4.1
175.14821	2.4
177.12839	1.3
179.10686	3.9
182.40349	0.9
187.14761	1.6
189.12769	5.5
189.16394	9.6
191.14362	0.8
193.12277	2.8
196.31273	0.9
199.14857	4.0
205.15887	3.5
207.13719	2.3
207.17456	16.4
217.15891	29.1
235.16937	67.4
236.17220	1.2
253.08543	1.8
253.18011	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	253.1285
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.0
53.04743	3.7
55.01877	3.6
55.05504	11.3
56.96560	15.2
57.03426	10.4
59.08188	2.9
61.02923	8.4
67.74332	3.3
69.03423	22.7
69.68513	19.8
71.01350	3.4
73.06254	2.8
73.06565	34.5
81.03410	9.3
85.02915	100.0
97.02903	22.1
98.97609	17.2
98.98473	40.0
99.04428	6.6
107.58025	3.4
109.02872	9.6
109.08328	4.1
110.97558	5.5
116.98609	4.6
120.08145	20.0
127.03938	18.2
137.05896	4.4
139.01015	3.3
143.01813	3.8
145.04973	19.2
155.04659	10.9
158.99649	10.1
219.01680	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1437
Annotation	3alpha-Hydroxyoreadone
Peak:m/z	Relative Intensity
50.30745	1.5
53.03932	2.5
55.01873	8.3
55.05519	15.2
57.03432	2.5
57.07082	2.3
59.04993	3.2
65.03934	2.1
67.05511	24.2
69.03423	8.3
69.07073	16.2
71.01362	2.3
71.05003	13.1
77.03887	1.6
79.05072	2.6
79.05500	35.6
81.03429	2.1
81.06596	3.7
81.07064	60.9
83.05002	11.5
83.08610	5.5
85.02904	2.4
85.06573	10.2
87.04462	1.9
88.30736	1.5
91.05484	28.1
93.06492	3.3
93.07051	55.8
95.04976	15.7
95.08617	36.0
95.72562	1.5
97.02848	1.7
97.06009	1.9
97.06547	20.7
97.10169	3.2
98.98480	100.0
99.04465	9.9
99.08106	4.2
101.06026	1.9
103.05455	2.4
105.04547	2.6
105.07042	42.4
107.04940	7.4
107.08608	36.2
109.06533	39.1
109.10167	16.8
111.04449	3.1
111.08086	10.5
111.17679	1.7
113.05973	6.0
113.09573	1.7
115.05425	2.8
116.99433	2.3
117.07021	6.7
119.04942	2.6
119.08588	36.7
121.06518	95.7
121.10160	12.4
123.04430	4.9
123.08088	8.7
123.11711	4.5
125.05978	7.4
125.09629	7.5
127.07581	13.6
128.06258	2.6
129.06992	7.5
131.08598	12.1
133.06482	5.1
133.10138	25.8
135.04393	4.8
135.08089	11.6
135.11710	10.5
137.06021	2.7
137.09578	6.0
139.07558	20.9
139.11139	3.5
141.05481	3.3
141.06993	3.3
142.07770	4.1
143.08586	12.3
145.06458	2.2
145.10135	13.9
147.08052	10.4
147.11691	34.4
149.09612	6.6
149.13274	4.2
151.07599	3.1
151.11218	2.8
153.09184	2.2
155.08540	2.7
156.09346	3.4
157.08817	3.2
157.10106	16.6
159.11723	9.2
161.09666	8.3
161.13290	15.3
163.11171	4.8
165.06999	4.7
165.09148	1.7
165.12733	6.6
166.07759	2.4
167.10690	1.8
169.10098	2.5
171.07860	1.6
171.11707	19.1
173.09636	2.7
173.13164	2.6
174.99373	2.7
175.11235	23.3
175.14842	4.2
176.54538	1.5
177.12785	3.1
179.10750	2.0
181.10123	7.1
184.08830	3.6
187.14761	3.4
189.12755	21.9
189.16432	11.8
191.14278	2.3
193.06538	2.4
193.10519	2.3
193.12291	15.8
199.11221	29.7
199.14827	4.8
205.15887	4.7
207.13876	12.6
217.12276	79.9
217.15685	15.2
218.12619	2.3
221.05948	2.6
235.13327	32.3
235.16928	32.3
253.08598	7.7
253.12257	3.1
253.14372	20.1
253.17981	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	252.1961
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	4.0
56.45136	0.7
57.07076	1.7
57.64165	0.7
58.06599	1.7
58.07779	0.7
60.04522	0.9
67.05507	7.4
69.03429	1.5
69.07072	5.6
70.06632	1.1
71.05003	1.5
71.51442	1.2
72.08173	1.5
77.77206	0.8
79.05506	12.8
81.07063	8.4
83.04987	0.8
83.08625	2.0
84.08154	1.4
85.06577	1.2
85.10201	1.8
86.02446	1.4
86.09703	1.2
87.00806	4.1
91.05479	5.9
93.07056	26.5
93.07642	1.6
94.07384	1.8
95.04990	1.8
95.08617	8.9
97.06544	2.6
97.10201	1.0
98.98480	16.0
103.05478	10.4
104.03479	15.6
105.07056	5.0
106.06561	10.8
107.04967	32.4
107.08603	17.7
109.06557	2.0
109.10165	21.9
111.08131	1.8
112.07589	0.9
114.09126	1.2
115.05453	1.2
117.07043	1.0
118.06567	11.1
119.08590	8.9
120.08118	100.0
121.06552	0.9
121.08443	1.5
121.10168	5.3
122.06794	1.1
122.10486	1.0
123.08085	3.5
123.11710	2.9
125.09644	4.4
126.09149	1.0
128.04974	1.8
128.10736	6.0
131.04945	9.0
131.08551	1.0
132.08887	1.2
133.05284	1.0
133.10170	6.0
134.06041	1.6
134.10526	1.1
135.11707	41.1
136.06221	4.4
136.11252	1.1
137.09630	4.9
139.11189	2.3
145.10161	1.6
146.06012	17.4
146.10541	1.4
147.04314	0.9
147.11703	4.1
149.05966	1.6
149.13246	1.7
151.11188	4.7
162.13589	1.3
163.11206	2.8
165.16437	1.8
166.08632	2.2
171.11772	0.8
175.14868	3.6
176.07112	3.0
188.07095	17.8
188.15092	1.2
189.16403	6.7
192.06570	9.6
193.15924	6.6
194.08109	3.4
194.12595	0.9
206.08151	52.5
207.17488	6.2
208.07932	1.1
210.18513	6.6
216.14560	1.4
217.15927	1.7
234.07559	1.0
234.09569	1.0
234.15701	1.8
234.18491	1.0
235.16876	2.3
252.12569	3.6
252.16754	4.8
252.19569	38.8
253.17889	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.082
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	0.5
55.05517	1.1
57.07077	1.0
59.05004	0.8
67.05507	1.3
69.03422	1.6
69.07076	0.9
70.02955	1.2
71.04972	0.7
71.21328	0.8
78.03457	7.6
79.04198	2.8
79.05493	1.5
80.05022	1.7
81.03406	0.7
81.07077	2.6
81.07478	0.4
83.08635	0.6
84.37590	0.5
85.02893	1.4
85.06554	0.6
87.04471	0.9
88.03994	1.8
89.06034	2.1
89.31435	0.4
89.59988	0.4
90.15979	0.5
90.95951	0.5
91.05489	2.0
93.07056	1.9
95.01338	2.1
95.03732	0.4
95.04958	1.1
95.08606	1.5
96.04521	1.2
97.02914	0.9
97.06557	0.5
98.98475	90.5
99.04465	0.6
100.98869	1.4
102.05554	1.4
103.03937	3.2
104.04958	0.9
105.04546	0.7
105.07037	2.0
106.02924	39.5
107.04932	0.8
107.08595	1.6
108.04505	4.9
109.02865	0.5
109.06529	1.0
109.10168	1.0
110.06052	3.6
110.07172	0.6
111.03188	0.9
113.02399	0.7
114.43966	0.4
116.99584	1.0
117.07024	0.9
119.08584	1.3
120.04463	4.1
120.08085	1.1
121.02855	0.5
121.06478	0.7
121.07622	1.6
121.10126	0.6
122.06060	2.9
123.04473	0.6
123.05534	0.9
123.08052	0.9
124.03987	3.0
131.05013	0.6
131.06042	2.7
131.07022	1.0
131.08574	0.9
132.04482	1.1
133.03981	9.0
133.08618	1.4
133.10141	1.5
134.04762	12.5
137.06012	2.5
138.05530	0.6
138.08241	0.5
141.05478	1.1
145.10109	1.0
147.04494	0.9
147.05556	2.6
147.08052	0.6
147.11693	1.0
148.03961	0.8
149.07115	100.0
150.07478	0.9
152.93567	0.4
157.10126	0.6
165.06624	3.5
167.07025	0.8
173.05850	0.5
174.99242	1.5
175.05048	23.6
175.11134	0.7
175.14687	0.6
176.98920	1.8
193.06125	30.8
195.33276	0.6
197.11646	0.8
207.07727	6.2
210.06744	0.7
217.12303	0.5
221.05710	1.3
225.09074	1.3
235.07439	0.5
235.09660	0.5
235.13271	0.7
235.16891	1.2
253.08235	91.2
253.18004	1.6
254.08562	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.0867
Annotation	N-Feruloylglycine
Peak:m/z	Relative Intensity
51.02372	0.6
53.03709	0.4
53.03945	4.8
57.55377	0.3
60.04514	0.9
61.71714	0.3
69.31438	2.3
70.02941	1.1
77.03925	1.7
81.03426	0.4
88.03997	2.6
95.04967	4.1
98.98460	0.5
102.05552	5.5
105.03395	100.0
105.04537	2.4
106.03723	0.7
130.05040	2.4
149.78189	0.3
155.04732	0.5
192.06590	1.9
202.80850	0.3
206.08116	4.8
220.06078	0.7
234.07637	1.0
252.08681	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.087
Annotation	N-Feruloylglycine
Peak:m/z	Relative Intensity
52.76452	0.7
64.61079	0.7
68.49767	0.7
69.60828	5.3
70.02962	0.7
74.51317	0.6
81.07069	1.4
87.00834	2.6
91.05472	1.0
93.07059	1.7
97.06556	1.0
97.27958	0.8
98.20840	1.0
98.98498	3.8
99.40278	0.7
103.05478	8.3
107.04951	0.9
118.06557	9.4
119.08576	0.9
120.08121	100.0
121.08474	1.1
128.04999	2.1
146.06029	20.0
164.15103	0.8
166.08664	2.3
188.07083	18.0
192.06619	1.6
206.08151	52.6
207.08527	0.9
224.66707	0.8
245.73625	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.1079
Annotation	Unknow
Peak:m/z	Relative Intensity
55.42408	2.1
57.03432	4.6
57.07070	5.1
62.98835	2.5
64.54929	2.1
67.05510	20.8
69.03419	6.9
69.07053	6.9
69.51802	11.2
70.06596	4.3
71.04982	5.9
72.08155	3.6
83.04976	2.7
84.08124	3.0
85.02858	2.8
85.06551	16.7
86.09709	3.4
87.00317	4.6
87.00833	81.2
87.04448	7.5
88.14471	2.1
91.05463	3.0
95.04983	25.6
96.05326	2.1
98.98471	85.9
100.75347	2.4
103.07570	6.6
105.01875	47.8
105.07029	2.6
106.02891	11.1
108.08915	2.9
111.73454	2.6
113.05259	2.9
113.06023	43.2
116.98682	2.3
120.04457	5.9
120.08123	3.1
131.07011	5.4
136.06213	17.6
136.90337	2.4
139.03827	2.6
146.09659	3.4
147.05428	2.3
149.07077	19.8
160.11183	3.5
174.09171	12.5
175.05005	6.6
188.10820	2.7
189.07567	5.5
193.06111	7.3
207.07657	2.2
217.07091	100.0
234.11316	12.5
252.08563	2.8
252.12357	13.7
252.16481	5.5
253.08304	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	252.1082
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70117	2.8
53.03944	5.1
55.01861	9.0
55.05505	5.9
56.96568	24.7
57.03448	30.3
57.07067	3.2
59.05011	3.3
61.02925	16.8
65.03946	3.0
67.05508	20.6
69.03436	63.7
69.07070	4.9
69.75688	17.3
70.06573	2.9
70.99883	4.6
71.01360	32.0
71.04999	9.6
71.95240	2.9
72.08135	5.3
73.02927	19.3
74.11588	2.8
81.03415	19.0
82.99830	3.0
83.04991	9.8
84.08148	11.9
85.01404	3.6
85.02911	84.2
85.06554	26.3
87.00835	79.5
87.04480	20.3
90.01536	5.6
93.01878	3.0
95.01305	3.7
95.04986	30.0
97.01405	3.2
97.02898	48.8
98.03188	3.5
98.97590	47.2
98.98463	56.4
99.04458	10.4
100.02527	5.2
101.00886	27.0
101.02481	6.5
101.03468	5.3
102.00970	4.9
102.01595	3.3
102.02386	9.0
103.00611	3.0
103.02419	7.0
103.03874	3.0
103.07600	6.9
105.01867	43.2
106.02844	3.7
107.42087	3.0
109.02882	9.1
110.03130	4.2
110.03932	5.2
110.07137	3.0
110.97536	8.7
111.02070	8.1
113.00877	9.0
113.02379	13.2
113.06011	49.2
115.02431	15.5
115.03136	3.7
116.03930	4.2
116.98631	13.7
117.02056	4.1
119.01919	39.3
119.03632	3.0
120.02654	5.5
121.01669	8.6
121.04280	4.0
123.02142	3.4
124.03772	4.0
125.04433	5.7
127.02422	4.2
127.03931	16.3
128.98598	4.7
129.01794	9.2
129.04005	8.4
130.08630	5.2
131.00220	4.6
131.01898	27.9
131.03455	3.4
131.07051	8.1
132.05272	3.4
133.01732	3.7
133.03453	10.3
134.99632	3.8
137.02954	3.8
139.02397	3.9
141.03990	5.3
143.00151	5.6
143.01907	11.0
145.03441	8.9
145.04945	7.7
146.99646	3.2
147.05032	4.2
149.02803	6.6
150.05490	4.3
152.04100	3.4
154.03534	3.0
155.01895	6.9
155.05605	3.4
156.03650	3.2
157.03447	23.1
158.03470	11.7
159.01448	6.0
159.05040	13.2
161.01241	5.1
161.03052	4.6
161.04449	5.3
161.05711	16.0
161.06679	3.6
161.55641	11.7
162.03598	11.0
162.05295	6.4
162.06444	7.7
163.04454	3.5
169.01674	3.5
170.05171	9.0
170.56183	3.4
171.01494	6.5
171.04167	35.0
171.06908	49.3
171.54352	5.1
171.57001	7.2
172.04895	7.6
173.03026	6.5
173.99452	7.6
175.04538	11.2
177.04164	8.4
177.06046	4.3
179.02231	13.4
185.02956	8.9
185.06569	3.3
187.00856	15.1
187.04555	4.6
189.00729	3.4
189.02379	4.5
189.07607	5.7
192.00702	3.6
192.04713	8.2
192.07428	3.9
195.07191	3.7
196.01053	4.5
197.01093	14.0
197.02895	5.5
198.94865	2.9
203.03958	4.8
205.02084	3.9
205.05562	5.9
215.02106	6.6
217.07079	100.0
219.07054	4.6
221.03279	3.5
223.06606	19.7
224.06831	4.4
229.01888	6.6
229.03763	8.3
229.05658	4.2
239.04324	7.3
252.08727	12.3
253.07581	8.8
265.07727	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	252.0865
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	4.7
55.01617	1.3
55.01876	7.0
55.05505	5.3
56.05031	1.9
56.96568	71.3
57.03436	18.6
59.04997	3.7
61.02704	1.3
61.02934	15.0
61.79676	1.3
67.05499	3.7
68.00266	2.9
69.03089	2.7
69.03434	41.6
69.07077	1.8
70.06609	7.5
70.98125	1.9
71.01362	24.0
71.04993	5.0
71.49890	1.8
71.95262	4.2
72.08160	13.6
73.02923	15.6
73.06551	2.1
73.08489	1.8
74.00269	1.5
74.97623	2.0
75.04494	1.6
77.00783	4.3
80.02074	2.1
81.03427	17.0
81.07040	1.8
81.18004	1.3
82.06602	1.7
83.01345	2.4
83.04968	2.6
84.04490	1.7
84.08154	19.6
84.91605	1.4
84.96017	9.3
85.02913	54.9
85.06599	1.8
86.03236	1.5
86.09707	5.5
87.04469	12.2
89.00791	3.2
89.02573	4.7
91.03946	4.0
91.05454	4.2
93.91565	1.8
95.00752	3.8
95.01319	2.7
95.04995	2.9
97.02905	43.8
97.96827	1.8
98.01305	2.1
98.03144	12.7
98.97583	98.9
98.98457	17.9
99.04461	7.9
99.97874	2.8
100.99139	2.9
101.00858	5.1
101.01675	1.6
101.02367	2.9
102.01559	2.9
102.96901	1.5
104.01299	3.0
107.03651	4.1
109.02895	9.5
110.01315	3.2
110.03103	7.7
110.97575	18.6
111.00790	1.7
111.02065	5.5
111.04484	2.3
112.99138	5.5
113.00890	5.5
113.02372	5.6
115.00703	14.0
115.02389	4.5
115.03928	2.2
116.03101	3.6
116.98630	28.7
117.02103	2.1
117.03916	5.5
119.00211	2.4
119.01906	8.1
119.03625	8.0
119.04945	3.0
120.02608	11.7
121.02830	1.9
122.03119	1.4
123.04512	10.5
124.75535	1.2
124.99138	5.3
125.03617	19.4
125.53679	1.6
126.04410	1.8
126.09147	4.1
127.03943	15.8
128.04192	1.8
128.98618	14.5
129.01790	6.8
129.03041	8.0
129.10219	1.7
130.08646	3.6
131.00163	5.9
131.01917	10.7
131.03571	5.8
132.04378	5.0
133.01721	7.1
134.04124	2.7
134.99640	4.5
136.07603	6.8
136.54420	1.6
137.02440	1.4
137.05952	2.1
138.04366	2.2
139.00577	1.4
140.02374	6.9
140.04164	2.9
140.98608	3.6
141.00392	1.5
141.01939	6.3
141.03125	2.5
143.00204	7.4
143.01872	2.9
144.00783	1.9
145.01651	2.5
145.03456	5.2
145.04959	6.5
146.04114	1.9
146.99640	6.2
147.03230	4.1
149.01215	3.9
150.05507	1.5
150.97037	2.6
150.99062	2.2
152.07037	2.0
153.04936	2.5
155.00169	2.0
155.01859	2.7
155.04662	3.2
156.98090	2.0
157.03513	2.4
158.99693	10.0
159.01393	2.9
159.03285	17.5
161.01285	8.6
161.02673	3.3
161.03032	3.5
161.04649	39.9
161.05902	2.8
161.54822	8.5
162.03671	4.0
162.05460	11.0
162.55446	1.4
162.99135	2.4
165.04283	1.7
168.95776	3.1
168.98099	6.1
170.05199	70.4
170.55388	13.8
170.99663	5.6
171.01321	4.2
171.05966	100.0
171.56139	6.3
173.01201	4.8
173.02847	3.2
174.99190	5.0
175.02724	4.2
175.04509	1.5
175.11948	2.1
177.00752	7.0
177.04356	26.1
177.05779	2.2
179.00095	1.8
179.02307	11.1
180.01862	2.5
181.55946	5.2
182.03349	2.8
182.99731	3.0
183.01289	2.0
184.02943	1.7
185.01288	1.9
185.02951	2.9
186.96814	2.9
186.99171	5.3
187.00871	8.9
187.02547	2.9
189.00739	4.9
191.02283	3.0
191.03943	3.3
192.03017	2.4
192.04710	28.2
192.06427	2.9
192.54831	3.0
193.09747	11.2
195.01740	2.0
195.05453	6.2
197.01236	4.5
197.03282	5.8
199.00844	2.7
199.11508	1.9
200.00934	1.8
201.00755	3.4
201.02451	3.3
202.98697	2.6
203.04005	2.3
205.01859	2.1
210.04401	1.6
211.04579	1.5
214.98680	5.6
217.00186	3.0
219.01788	7.4
219.05389	2.3
221.03337	5.8
224.08038	2.5
229.00081	2.8
229.02007	3.0
229.07419	2.4
232.99751	2.3
237.02730	6.8
239.02267	5.2
239.04408	19.4
243.08162	3.2
244.88953	1.6
247.03091	1.9
251.58244	1.7
252.05864	6.4
252.08614	68.8
252.12357	3.4
252.14371	3.0
252.16692	2.5
252.58817	5.7
253.08649	2.7
257.03378	3.9
273.03894	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1644
Annotation	Carabrol
Peak:m/z	Relative Intensity
53.03938	4.0
55.01860	2.5
55.05516	15.2
56.91522	2.1
57.03442	2.4
57.07062	6.4
67.05508	18.4
69.03426	3.1
69.07071	16.0
69.51617	10.0
69.52041	7.6
70.91253	2.3
71.04987	4.4
79.05520	18.6
81.07065	21.7
83.04988	12.0
83.08630	14.8
91.05491	28.6
93.07050	40.5
95.04985	4.6
95.08614	24.2
97.10207	3.1
98.98472	75.0
99.04453	3.7
101.41331	2.6
103.05463	3.4
105.07042	40.5
107.04946	3.3
107.08599	79.4
109.06514	9.2
109.10164	36.8
111.04436	4.4
111.08129	4.0
112.26177	2.3
115.05430	3.8
117.07019	9.9
119.08576	36.9
121.06514	5.5
121.10138	30.5
123.08031	5.5
123.11720	8.8
129.07004	4.3
131.04945	4.1
131.08565	27.0
133.06496	7.7
133.10135	30.4
135.08063	6.4
135.11703	40.2
137.09607	5.7
137.13263	3.1
143.08618	4.4
145.06499	3.6
145.09055	3.3
145.10135	36.4
147.08044	6.3
147.11679	13.7
149.09619	16.6
149.13269	9.1
149.43665	2.3
151.07550	8.2
151.11212	4.4
157.10071	3.3
159.08063	4.3
159.11681	12.0
161.13266	20.4
163.07541	4.7
163.11197	5.9
163.14857	3.2
165.09239	3.2
167.10748	4.6
171.11710	8.8
173.09671	3.2
173.13281	8.6
177.09171	12.7
177.12605	2.8
181.08632	2.8
187.11134	4.2
187.14870	21.2
189.12762	7.5
189.16344	3.2
191.10652	4.7
195.10115	9.1
205.12193	3.5
205.15849	15.4
207.13809	3.8
215.10768	3.4
215.14319	10.6
233.15417	30.3
251.16443	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1643
Annotation	[2R-(2alpha,4aalpha,7alpha)]-1,2,3,4,4a,5,6,7-Octahydro-7-hydroxy-4a,8-dimethyl-alpha-methylene-2-naphthaleneacetic acid
Peak:m/z	Relative Intensity
55.05509	6.0
57.06136	1.6
59.05007	10.1
59.44353	1.6
63.07440	1.5
67.05498	8.6
69.03433	5.0
69.07066	10.5
70.84946	2.1
70.85278	2.8
70.99252	1.8
71.05002	6.1
71.19881	1.6
72.87615	1.4
72.96752	1.5
79.05486	8.2
81.07060	18.8
83.04986	6.7
83.08633	2.4
84.04511	2.7
84.39821	1.6
85.02911	1.9
85.06544	4.0
91.05515	9.9
92.86477	1.6
93.07058	14.3
95.04977	10.0
95.08606	14.1
97.06544	8.2
98.98472	100.0
99.04462	7.4
105.07037	18.1
107.05000	2.0
107.08602	18.7
109.06514	11.6
109.10159	9.8
111.04479	2.3
111.08103	2.7
112.63046	1.5
113.06002	2.5
115.05492	2.4
117.07028	6.4
119.08592	17.3
120.08096	2.6
121.06508	4.3
121.08432	5.0
121.10168	20.5
123.08073	13.6
123.11719	9.0
125.05975	2.4
125.09634	4.7
130.07729	1.9
131.08563	8.9
133.06529	2.6
133.10162	11.3
135.08058	6.1
135.11711	5.7
137.09630	5.4
141.06924	2.0
142.08710	1.8
143.08569	4.5
145.06482	2.3
145.10158	18.8
147.11690	7.6
149.09627	5.3
149.13277	2.4
151.07521	3.0
151.11191	7.4
155.08614	1.8
157.10143	6.0
159.08031	3.6
159.11716	8.5
161.06010	2.3
161.09698	2.2
161.13245	3.3
163.07582	2.2
163.11250	3.4
163.14838	3.0
167.10742	2.9
172.36336	1.8
173.09659	3.6
173.13280	5.1
174.99239	2.1
175.11198	7.7
177.09117	2.5
177.12843	2.4
187.11116	2.7
187.14803	11.1
189.12744	4.3
191.14307	3.2
193.12274	4.7
197.13365	2.0
203.14281	4.3
205.15932	6.9
207.13786	1.9
212.04288	1.8
215.14323	10.1
233.11931	2.0
233.15390	22.0
251.16389	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	251.1646
Annotation	6-Hydroxy-14-sesquilimonenoic acid
Peak:m/z	Relative Intensity
53.03947	1.9
54.13348	1.4
55.01875	2.9
55.05517	16.3
57.03428	2.8
57.07071	6.6
65.03946	1.9
65.55084	1.4
67.05511	17.3
69.03427	3.7
69.07076	12.9
69.80921	8.8
71.04977	3.4
71.08641	2.0
77.03947	2.1
79.05145	1.7
79.05507	22.3
81.03462	1.5
81.07063	23.1
83.05008	13.0
83.08635	15.9
84.03583	2.1
87.28768	1.5
91.05498	34.1
93.03455	2.2
93.07054	47.0
95.04964	5.4
95.08620	29.7
97.06539	4.0
97.10136	2.4
98.98483	55.6
103.05527	2.6
105.07050	48.9
107.04958	3.2
107.08607	81.5
109.06527	6.0
109.10176	47.2
111.04457	3.5
111.08105	2.9
117.07037	11.4
119.04906	2.4
119.08598	45.2
120.09371	1.7
121.06525	3.0
121.10172	28.4
121.27502	1.6
123.08078	5.2
123.11745	8.5
125.05995	2.1
129.07034	2.3
131.08595	23.2
133.06506	6.6
133.10152	35.5
135.08080	9.1
135.11714	42.0
137.05942	2.2
137.09601	2.9
137.13242	3.8
139.07513	2.3
141.78802	1.6
143.08601	2.3
145.06471	2.8
145.10153	32.7
147.08054	4.5
147.11694	14.3
147.47575	1.7
149.05991	4.7
149.09644	13.6
149.13266	7.6
151.07588	7.5
151.11223	9.8
153.09094	2.7
156.09369	3.3
157.10136	2.6
158.11008	2.3
159.08092	2.8
159.11713	8.3
161.13283	19.7
163.07549	3.8
163.11208	6.3
163.14853	4.6
165.09140	3.8
167.10657	3.3
171.11667	7.7
173.09625	2.1
173.13322	10.2
174.99272	2.4
177.09154	11.3
181.08693	2.8
183.10170	3.2
187.14833	22.7
189.12766	10.4
189.16457	4.2
191.10675	5.6
191.14313	3.4
191.17725	1.7
193.12311	2.4
195.06586	5.4
195.10156	10.7
197.13390	2.0
205.15895	13.6
209.11723	2.9
212.58856	1.9
213.07767	3.4
215.14368	10.0
233.15407	28.6
251.12869	4.2
251.16463	100.0
252.16675	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.128
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80487	1.6
53.03933	3.4
54.39044	1.4
55.01861	5.6
55.05502	6.9
57.03421	1.7
65.03937	1.9
67.05512	16.2
69.03421	7.0
69.07066	6.0
70.68300	3.7
70.68637	1.7
71.04974	5.7
79.05151	1.6
79.05499	21.1
81.03400	2.1
81.07049	20.7
83.04980	4.4
83.08608	2.3
85.02859	1.8
85.06538	7.5
91.05477	18.3
93.07051	43.6
95.04976	17.4
95.08620	16.3
97.06519	12.0
97.10133	2.0
98.98469	100.0
99.04448	6.9
103.05473	2.8
105.07034	36.1
107.04941	10.2
107.08601	20.4
109.05898	2.2
109.06527	23.1
109.10136	5.7
111.08057	5.9
113.05938	1.9
113.55193	1.9
115.05453	3.2
117.07034	10.5
119.05000	7.9
119.08582	13.0
121.06512	23.7
121.10116	5.8
123.04409	3.4
123.08044	4.7
123.11694	2.2
125.06026	3.0
127.07543	3.8
129.06987	6.6
130.07777	3.4
131.04900	1.9
131.08566	21.0
133.06491	8.4
133.10127	8.1
135.08040	4.6
135.11665	5.6
137.05978	10.5
137.09587	2.7
139.07529	15.5
141.06955	2.8
143.08545	5.5
144.09406	5.4
145.06433	7.2
145.10127	45.5
147.08061	3.4
147.11647	5.3
149.09563	4.0
149.13237	2.2
151.07535	6.0
153.07022	2.5
154.07774	6.6
155.08556	2.6
157.08601	10.4
157.10045	3.0
158.07239	4.9
159.08008	4.8
159.11703	25.4
159.82552	2.0
161.09540	2.3
161.13174	3.3
163.07553	2.3
163.11174	6.9
163.82239	2.1
167.08549	2.2
169.10115	10.3
171.11687	3.0
173.09628	18.0
173.13187	2.7
174.99167	3.4
177.08945	2.3
177.12784	3.4
179.08571	6.0
181.10104	2.4
182.07281	2.9
186.34200	1.6
187.11189	52.9
187.14764	3.8
189.12723	1.9
191.10684	14.1
191.14351	1.7
195.13632	2.0
197.09607	12.2
197.13200	2.5
205.12263	18.3
205.15857	3.8
215.10687	49.3
215.14238	4.8
233.11731	17.0
233.15306	8.4
251.12625	11.4
251.16315	12.3
251.20186	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	251.1644
Annotation	[2R-(2alpha,4aalpha,7alpha)]-1,2,3,4,4a,5,6,7-Octahydro-7-hydroxy-4a,8-dimethyl-alpha-methylene-2-naphthaleneacetic acid
Peak:m/z	Relative Intensity
55.01897	2.5
55.05515	8.3
57.03431	2.7
57.07074	2.1
59.05013	1.8
67.05511	18.9
69.03421	6.7
69.07076	13.2
69.36856	11.9
69.37260	3.9
71.04988	3.9
71.77377	1.6
74.19143	1.8
79.05492	19.9
81.07057	23.8
83.05026	3.6
83.08623	5.3
85.06578	3.0
91.05496	16.0
93.07059	35.7
95.04951	3.4
95.08611	23.4
97.06522	5.9
97.10177	4.6
98.20760	3.5
98.98479	100.0
99.04386	1.8
105.03426	1.6
105.07040	21.7
107.04974	4.4
107.08620	26.7
109.06522	8.1
109.10168	14.1
111.04436	7.3
111.08096	5.3
115.05470	2.6
117.07032	6.4
119.08596	36.3
121.06489	5.0
121.10155	80.4
122.63397	1.9
123.08062	5.3
123.11662	2.8
125.05975	4.6
125.09644	10.4
127.07544	3.4
129.07028	2.7
130.07826	1.7
131.08589	16.5
133.06480	3.2
133.10150	14.2
135.04431	1.9
135.08073	5.2
135.11688	8.1
137.09586	2.7
139.07599	1.8
139.11183	3.7
143.08554	5.2
145.06532	1.9
145.10133	35.5
147.08051	4.4
147.11703	12.8
147.47099	1.7
149.05980	2.0
149.09644	10.4
149.13336	3.0
151.11235	3.1
159.08015	2.9
159.11697	14.2
161.09676	2.6
161.13298	5.3
163.07558	3.7
163.11192	2.9
163.14841	4.3
167.10687	40.7
169.10065	2.4
173.09669	6.8
173.13251	7.6
173.47374	1.9
174.99251	4.2
175.11252	4.2
175.14838	3.6
177.09006	2.6
177.12825	3.0
177.16466	9.4
179.10730	3.4
187.11208	3.1
187.14798	24.4
189.12772	4.5
189.16432	3.7
191.10690	5.1
191.14305	3.3
193.12299	2.5
203.14404	3.1
205.15883	19.7
215.14308	22.3
233.08093	2.0
233.11772	2.6
233.15381	32.5
251.16408	47.2
251.20329	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	251.1279
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.2
55.01867	4.6
55.05515	6.1
56.98437	0.6
57.02517	0.6
57.03435	1.9
57.07070	1.7
59.05003	1.3
64.21672	0.6
65.03941	0.9
67.05508	13.6
69.03425	6.3
69.07077	7.6
71.05003	7.0
71.52134	0.9
77.01592	0.7
77.03885	0.6
79.05499	18.8
81.03420	1.3
81.07063	35.0
83.04986	3.8
83.08620	2.7
85.02935	0.8
85.06545	4.1
91.05489	15.3
91.06026	1.3
93.07050	28.6
95.04977	14.1
95.08615	16.5
97.02900	1.3
97.06535	8.5
97.10165	1.3
98.98475	100.0
99.04465	4.5
99.08102	1.2
103.05473	2.3
105.07043	26.9
107.04961	6.9
107.08603	16.8
107.84458	0.6
109.06529	25.6
109.07275	1.3
109.10165	9.3
111.04449	2.0
111.08102	4.8
113.05998	3.4
115.05489	1.8
116.06269	1.1
116.99541	0.9
117.07040	8.1
119.04949	9.9
119.08588	11.3
121.06514	16.2
121.10172	8.9
123.04428	1.8
123.08076	4.4
123.11722	2.4
125.06003	3.0
125.09675	2.6
127.07578	4.2
128.06252	1.5
129.07030	4.1
130.07787	3.2
131.04955	1.3
131.08583	14.0
133.06503	5.5
133.10149	5.8
135.04468	1.0
135.08058	7.3
135.11694	9.5
137.05989	19.9
137.09645	2.2
139.07535	9.1
141.07004	2.3
142.07806	1.5
143.08588	3.7
144.09358	2.3
145.06491	5.3
145.10130	30.0
147.04408	0.6
147.08086	3.3
147.11716	4.9
149.05998	2.2
149.09570	4.0
149.13248	0.9
151.07587	2.9
151.11185	1.5
153.06973	1.2
153.09102	1.1
154.07828	3.1
155.08551	3.4
156.09349	1.0
157.08653	3.7
157.10170	3.0
158.07312	3.1
159.08078	4.3
159.11711	19.2
160.07596	0.8
161.06030	1.7
161.09647	1.4
161.13277	1.8
163.07571	1.4
163.11198	14.0
163.14864	1.0
165.07014	0.7
165.09106	1.0
167.08569	1.5
167.10689	1.8
169.10136	6.9
169.12244	1.4
171.08084	1.0
171.11726	2.0
172.08879	1.6
173.06093	1.4
173.09631	12.4
173.11031	1.0
173.13307	3.3
174.99292	2.7
175.07559	0.9
175.11214	2.8
175.14874	0.9
177.05583	0.6
177.09126	2.4
177.12756	3.8
177.16402	1.2
179.08612	4.0
181.05029	0.7
181.06502	1.0
181.10254	0.8
181.12267	3.8
182.07343	2.0
182.11003	0.7
187.11201	24.3
187.14795	5.2
188.11572	0.9
189.09175	0.8
189.12798	2.1
189.16388	0.9
191.08833	1.3
191.10703	8.7
191.14342	2.5
191.18013	0.8
193.08652	2.2
193.12267	0.9
195.06467	1.1
195.10225	1.0
197.09644	9.2
197.13332	2.2
205.06659	0.8
205.08575	1.0
205.12263	9.1
205.15843	6.3
208.08803	0.7
213.07658	1.3
215.10703	27.1
215.14134	5.8
219.08376	0.7
221.08023	0.9
221.15410	0.9
227.12991	0.6
233.08086	1.2
233.11766	13.6
233.15355	12.7
233.18990	0.7
251.07144	1.2
251.10677	2.4
251.12845	9.3
251.16512	15.2
251.20203	1.9
252.12383	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1281
Annotation	Lachnumfuran A
Peak:m/z	Relative Intensity
53.03936	4.8
55.01869	8.2
55.05192	2.7
55.05506	10.3
57.03431	3.0
57.07056	2.8
63.64004	2.6
65.03931	2.9
65.67072	2.6
67.05506	18.9
69.03426	7.7
69.07062	11.2
69.56802	5.6
69.57210	9.5
71.04995	14.4
79.05501	44.9
81.07058	92.8
83.04973	8.1
83.08613	3.0
85.06557	6.5
91.05478	30.9
93.07050	64.0
95.04977	24.4
95.08626	24.3
97.02892	5.1
97.06535	14.9
98.20747	3.2
98.98471	100.0
99.04457	9.8
103.05479	3.2
105.07042	47.7
107.04955	15.2
107.08589	26.2
109.06525	72.7
109.10160	11.1
111.04493	3.6
111.08075	7.4
113.06039	2.5
115.05497	3.7
117.07040	17.1
119.04940	30.0
119.08572	16.4
121.06516	39.1
121.10162	12.2
123.04444	7.3
123.08077	4.0
123.11759	3.7
125.05986	8.3
125.09646	10.8
127.07599	7.0
128.06239	3.9
129.06996	11.0
130.07817	5.9
131.08577	20.4
133.06488	9.4
133.10124	10.3
135.04448	4.5
135.08080	14.2
135.11725	11.6
137.05983	79.3
137.09595	2.8
139.07521	13.5
141.07027	6.2
143.08578	10.4
144.09354	6.0
145.06483	11.1
145.10133	74.1
147.08026	4.1
147.11707	7.3
149.06001	4.3
149.09601	2.7
153.12793	2.7
154.07793	6.7
155.07130	2.6
155.08560	6.8
157.08624	8.1
157.09923	2.7
158.07306	6.1
159.08046	5.2
159.11713	37.5
161.09558	4.6
161.13292	3.9
163.07600	4.2
163.11195	37.9
167.08609	3.2
167.10721	2.9
169.10139	11.8
171.11656	4.5
172.08856	5.1
173.09607	30.7
173.13335	3.8
174.99168	4.3
177.12753	8.9
179.08597	7.8
181.12244	17.9
182.07327	4.2
187.11194	62.1
187.14780	6.2
189.12825	3.1
191.09019	3.6
191.10689	23.1
191.14261	2.9
193.08659	3.1
197.09602	20.4
205.12251	24.2
205.16071	3.0
215.10701	65.0
215.14265	6.9
233.11752	39.3
233.15317	13.0
251.10709	2.7
251.12785	28.2
251.16492	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	251.128
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	4.8
55.01866	7.1
55.05507	10.4
57.07071	4.0
59.05008	3.1
61.53830	1.6
65.03913	3.7
67.05508	26.9
68.99776	1.9
69.03433	14.8
69.07067	10.4
69.17365	13.1
69.17773	3.9
71.05000	23.3
79.05495	26.7
81.03412	4.5
81.07065	34.4
83.04992	25.4
83.08624	5.3
85.06532	15.7
91.05483	34.7
93.06579	1.0
93.07045	58.7
95.04974	20.2
95.08620	21.9
97.06538	17.8
98.21532	3.9
98.98470	100.0
99.04469	14.9
99.08086	3.1
103.05486	4.8
105.07035	56.3
107.04974	16.1
107.08598	37.4
109.06525	49.8
109.10155	18.3
111.04459	8.8
111.08105	5.8
113.05994	5.4
115.05486	6.2
117.07024	23.9
119.04948	6.7
119.08578	27.9
121.06508	12.8
121.10159	20.5
123.04426	3.5
123.08099	8.1
123.11714	3.7
125.05994	7.3
125.09637	7.2
128.06206	5.2
129.07019	9.8
130.07788	7.0
131.04961	5.5
131.08572	36.0
133.06476	9.2
133.10136	16.0
135.04391	2.2
135.08064	32.2
135.11725	12.9
137.05969	29.2
137.09610	7.0
137.13194	1.9
139.07526	3.0
141.06976	3.2
141.67665	1.8
143.08591	9.1
144.05684	3.1
144.09340	4.8
145.06502	13.6
145.10127	77.7
147.04414	1.8
147.08051	13.9
147.11716	8.2
149.05986	6.3
149.09628	10.6
149.13242	2.8
151.07541	11.7
151.11162	2.6
153.05466	2.5
153.09077	9.2
153.12761	3.6
154.07777	3.3
155.08560	6.5
156.09404	2.4
157.10118	2.5
158.07294	4.0
159.08066	6.3
159.11710	27.1
161.09648	11.6
161.13228	4.5
163.07529	2.8
163.11191	21.0
163.14796	2.5
165.09082	2.1
165.12711	2.7
167.10687	5.2
169.10132	5.6
171.11623	2.8
172.08824	2.5
173.09625	39.4
173.13249	8.9
174.99242	5.8
175.07542	3.8
175.11264	4.4
175.14851	2.0
177.09116	4.1
177.12750	6.5
187.11197	28.8
187.14806	9.7
189.09113	5.4
189.12744	6.2
189.16359	2.3
191.08917	3.8
191.10660	42.8
191.14360	5.0
193.08656	4.7
197.09631	3.2
197.13206	4.4
203.14340	4.2
205.12242	23.1
205.15903	7.1
212.22502	1.9
215.10709	19.9
215.14307	15.9
219.10149	5.6
221.15340	5.7
233.11766	29.5
233.15366	28.4
251.07344	1.9
251.10580	3.2
251.12802	24.8
251.16449	30.8
257.36566	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	250.1804
Annotation	N,O-Didesmethylvenlafaxine
Peak:m/z	Relative Intensity
51.37334	1.1
53.03933	2.9
55.01861	2.7
55.05527	7.3
56.05024	3.1
56.56642	1.4
57.01830	1.3
60.04504	4.1
65.35413	1.4
67.05509	7.4
68.05014	1.5
69.03426	3.1
69.07075	13.4
70.06581	4.4
70.60645	2.3
70.60974	1.5
71.04985	1.3
72.08141	4.0
79.05068	2.3
79.05492	30.1
81.03405	3.3
81.07056	33.3
82.06587	8.1
83.04974	12.8
83.08609	3.5
84.04471	1.6
84.08143	2.0
85.02884	2.2
91.05476	10.9
93.07050	22.0
94.06583	14.7
95.04987	4.1
95.08590	6.4
96.08141	3.3
97.02913	2.2
97.06498	2.5
98.98470	94.1
101.36562	1.4
105.07059	8.3
106.07308	1.8
107.04939	2.2
107.08598	50.6
108.08104	4.8
109.06502	4.9
109.10147	4.6
110.09672	2.5
111.08119	1.8
112.02196	2.1
114.09157	3.1
115.05424	1.8
116.99552	1.9
117.07012	5.4
119.08609	7.4
120.08119	4.3
121.06523	3.5
121.08849	2.1
121.10147	29.6
122.09642	5.2
123.08054	1.7
128.10670	4.7
131.07365	1.8
131.08551	5.8
132.08063	5.5
132.08965	1.9
133.06477	1.6
133.08429	3.5
133.10136	3.7
134.09644	14.8
135.08073	11.7
135.10419	8.0
135.11613	3.0
136.06155	2.3
136.07521	2.1
136.11205	4.4
143.08398	2.2
144.08981	1.7
145.10112	2.5
146.06026	2.4
146.09634	20.0
147.06383	4.1
147.08119	1.5
147.10495	1.8
147.11668	4.0
148.08459	1.7
148.11192	3.4
148.56232	1.7
151.07603	2.1
152.10623	2.2
153.09143	2.8
154.12326	1.8
158.09654	1.8
160.11200	3.5
162.10168	1.8
162.12743	4.3
163.14821	16.6
164.10719	13.4
172.07532	2.4
173.13268	5.5
174.99234	3.0
176.10643	8.7
186.02185	2.2
188.07137	1.6
189.07350	4.7
190.15897	4.0
191.14230	10.3
194.11838	3.5
202.15906	11.9
203.52513	1.6
208.16968	56.6
220.16986	35.5
232.09691	4.6
232.16971	94.9
233.17296	1.7
250.06836	2.7
250.10934	6.6
250.15292	5.4
250.18013	100.0
251.16200	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	250.1288
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.0
55.05507	1.2
56.96564	1.2
57.03444	1.7
61.02926	0.6
62.68894	0.5
67.05520	0.9
69.03439	4.3
69.07068	0.6
69.37222	4.1
70.06605	4.3
71.04999	0.6
72.08151	1.9
73.02920	1.1
79.05500	1.1
81.03419	1.7
81.07070	1.9
83.04977	0.6
84.04534	0.6
85.02917	20.3
85.06554	0.8
88.07642	100.0
89.07973	0.8
91.05499	1.2
92.45121	0.5
93.07041	1.2
95.04999	1.0
97.02905	3.5
98.06858	0.5
98.20802	1.0
98.97655	1.2
98.98478	32.2
99.04475	0.9
105.03407	0.5
105.07068	1.3
106.07410	0.5
107.04996	0.9
107.08617	1.4
109.02901	2.3
111.04427	0.6
116.98698	0.7
119.04955	0.6
119.08626	0.9
120.05276	0.9
126.06393	0.6
127.03915	3.3
129.07030	0.6
131.08647	0.8
133.10139	0.5
134.20122	0.5
135.08072	0.8
136.06293	0.8
145.04948	0.8
147.04388	0.7
148.12099	0.6
150.05524	1.4
151.05870	2.5
158.10599	0.5
158.99782	0.6
174.99265	0.9
186.02184	1.2
193.63225	0.5
204.14760	0.6
226.96497	0.5
232.09805	1.1
232.11992	0.7
232.14220	1.7
232.16908	0.9
233.94371	0.5
250.07191	0.7
250.10800	1.0
250.12926	1.1
250.15100	1.2
250.20137	3.4
251.09129	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.2214
Annotation	Heptadecatrienal
Peak:m/z	Relative Intensity
50.14320	1.8
53.03952	18.8
53.73917	1.7
55.01860	6.9
55.05519	24.8
57.03426	3.0
57.07069	6.6
59.04990	4.9
67.05507	48.6
69.03422	3.1
69.06731	2.8
69.07074	37.4
70.79714	4.2
70.80049	2.4
71.04977	2.5
71.08640	1.9
79.05490	22.7
79.09389	2.0
81.03423	66.7
81.07065	48.7
83.04987	15.0
83.08644	9.0
85.10168	2.9
91.05491	15.1
93.07050	19.9
95.04978	39.3
95.08614	27.2
95.64090	1.9
97.06536	5.1
97.10160	6.2
105.07047	20.0
107.04935	1.7
107.08614	12.2
109.06526	11.4
109.10165	14.9
111.08093	2.1
113.09670	3.0
119.08572	12.0
121.10135	8.1
123.08055	2.9
123.11708	8.3
125.09682	1.9
131.08566	2.0
133.10144	16.1
135.11694	4.9
137.09634	2.2
139.11197	2.3
147.11703	5.7
149.13278	3.3
150.05516	1.7
151.11195	34.8
153.12749	3.8
153.75220	2.0
161.09641	2.8
161.13219	6.5
165.12769	12.3
173.09648	2.6
175.07527	1.9
175.11163	2.0
179.14304	5.3
189.16379	3.4
191.17903	2.8
193.12280	3.4
219.62538	1.9
231.21114	7.6
232.24754	1.9
249.14862	5.4
249.18552	7.1
249.22159	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1489
Annotation	(+)-Terrecyclic acid A
Peak:m/z	Relative Intensity
52.81129	2.0
53.03940	4.0
55.01859	2.2
55.05515	15.2
56.96563	5.8
57.03435	3.9
59.05010	2.9
65.03941	4.4
67.05512	13.8
69.03424	8.5
69.07085	13.6
70.10176	6.2
71.04987	7.3
72.08162	4.1
73.02926	1.9
79.05497	20.7
81.03434	9.5
81.07066	12.8
81.96809	1.7
83.04980	8.6
83.08604	4.4
84.04466	2.5
85.02906	8.0
85.06530	2.2
86.09706	2.5
88.07643	11.4
91.04989	2.1
91.05498	25.1
93.07058	15.8
94.06562	10.1
95.04979	21.0
95.08628	13.3
97.02921	4.6
97.06536	7.8
97.10191	9.5
98.21467	1.9
98.97591	10.4
99.04452	4.2
99.17609	1.9
103.05455	3.4
105.03403	2.5
105.07048	36.7
106.06580	2.7
107.04998	12.6
107.05599	2.8
107.08611	20.5
109.02896	9.4
109.06522	14.6
109.10149	5.7
111.04440	8.0
111.08096	2.1
112.07553	2.3
115.05464	5.4
117.07050	11.9
119.04978	5.0
119.08598	47.7
121.02853	1.8
121.06522	7.0
121.10163	10.1
122.06034	5.1
123.08061	9.1
127.03946	2.2
127.07553	2.2
128.06233	8.5
129.07013	11.9
130.07861	2.1
131.04904	2.6
131.08556	15.9
133.06516	9.0
133.10149	24.1
135.04430	4.6
135.08054	6.2
135.11674	2.0
137.05992	23.3
137.09686	2.8
138.83582	1.9
141.06992	4.0
142.07832	5.8
143.07047	4.5
143.08577	22.2
145.06493	4.1
145.10138	16.6
147.08064	23.8
147.11708	22.9
148.11140	2.1
149.06062	2.7
149.09586	7.4
150.05528	100.0
151.03905	2.1
155.03690	2.0
155.08626	4.3
156.09326	5.1
157.10158	15.2
159.08067	6.0
159.11757	11.9
161.05995	3.8
161.09624	13.3
161.13232	6.5
163.07542	3.7
163.11159	3.2
164.09428	1.9
165.09123	2.1
169.10165	2.6
170.10880	4.8
171.08046	3.2
171.11713	8.1
173.09631	7.1
173.13277	5.3
175.07515	4.9
175.11282	8.7
175.14833	19.9
183.11671	2.1
185.09766	2.1
185.13312	16.3
187.11214	3.6
189.05392	3.3
189.09090	4.5
189.12816	6.3
191.10680	3.9
195.11690	4.4
203.10667	2.8
203.14323	28.9
211.42068	2.0
213.12764	13.4
218.08684	2.4
219.13763	3.3
221.15359	6.2
230.76399	2.0
231.11771	2.6
231.13823	71.5
232.09628	2.0
236.90086	1.8
244.06641	2.2
249.08554	5.7
249.12321	10.2
249.14865	43.2
249.19650	82.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1487
Annotation	(+)-Terrecyclic acid A
Peak:m/z	Relative Intensity
53.03944	4.9
55.01871	5.6
55.05517	13.0
57.03434	4.0
57.07077	2.9
59.05001	3.0
63.42432	1.6
65.03940	3.6
67.05519	14.4
69.03434	13.3
69.07066	18.6
70.52682	1.6
71.04995	4.8
79.05493	21.9
81.03416	5.8
81.07066	25.0
83.04985	32.1
83.08627	4.5
85.02902	6.1
85.06530	4.7
87.00840	1.9
90.61366	1.7
91.05481	30.6
93.07046	37.7
95.04986	9.3
95.08611	22.1
97.02892	4.5
97.06538	7.3
98.97588	2.5
99.04449	4.2
99.08105	2.4
103.05463	3.9
105.07037	48.1
107.04951	7.1
107.08604	39.6
109.02892	2.7
109.06532	10.2
109.10178	11.0
111.04447	3.5
111.08080	4.9
115.05466	10.5
116.06229	3.9
117.07024	17.7
119.04955	2.9
119.07800	3.2
119.08594	38.6
121.06499	12.2
121.10157	27.9
123.04446	3.5
123.08073	13.7
123.11705	4.3
125.05992	4.2
125.09599	2.3
127.03886	2.9
128.06219	15.9
128.20222	1.7
129.07014	30.1
130.07785	4.7
131.04990	3.1
131.08575	32.7
132.05757	3.0
133.06516	9.5
133.10150	28.6
135.04436	2.4
135.08061	14.6
135.11699	10.1
137.05991	3.4
137.09644	3.0
139.07579	1.6
141.07004	12.3
142.07829	9.2
143.08559	23.3
144.05753	10.4
144.09334	4.9
145.06479	8.2
145.10132	27.4
146.07298	4.9
147.04437	2.0
147.08066	15.2
147.11687	16.1
149.09583	10.0
149.13252	5.8
150.57518	2.3
151.07567	7.8
151.11226	2.3
153.06995	4.1
153.09132	2.1
155.06021	2.7
155.08539	3.5
156.09308	5.1
157.06500	13.3
157.10143	19.0
158.07268	4.1
159.08069	34.0
159.11699	20.7
160.05215	3.0
161.06003	8.3
161.09616	23.2
161.13293	12.5
163.07578	5.3
163.11182	6.3
165.09117	4.1
167.10672	4.8
169.06384	2.4
169.07637	4.9
170.07272	6.4
170.10942	7.6
171.08047	12.5
171.11766	9.1
172.05156	3.2
173.06047	5.4
173.09631	4.8
173.13220	3.2
174.06789	1.8
175.07588	12.3
175.11234	6.2
175.14838	15.8
177.12717	2.4
177.16412	3.0
185.09651	3.4
185.13264	23.0
187.07542	16.7
187.11108	9.1
187.14894	8.2
188.08347	1.9
189.05518	4.3
189.09113	21.4
189.12758	9.7
191.06944	2.9
191.10690	10.0
193.08638	6.2
193.12305	2.8
198.10547	3.3
199.07706	2.6
201.05423	2.0
202.07880	1.9
203.07054	9.9
203.10696	5.9
203.14322	31.9
204.07866	13.0
204.09628	1.5
205.08594	3.0
205.12247	7.8
205.15898	3.1
207.13872	2.0
213.12737	10.9
216.07774	2.0
221.11734	4.6
221.15392	5.1
231.10287	8.5
231.13805	40.4
231.17395	3.6
249.11258	100.0
249.14890	82.7
249.18503	6.9
250.15155	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1124
Annotation	Mycorradicin
Peak:m/z	Relative Intensity
52.17815	1.0
53.03949	1.2
55.05502	2.0
57.03459	1.2
67.05489	3.5
69.03428	1.6
69.07082	1.5
79.05464	3.0
81.03405	0.9
81.07039	1.7
91.05491	9.0
93.07030	2.9
95.04951	1.8
95.08598	2.4
98.21506	3.3
100.10183	0.9
103.05478	1.7
105.07059	6.2
107.04948	5.0
107.08587	2.8
108.05269	2.4
109.06538	1.4
115.05459	7.1
116.06225	3.7
117.06998	4.5
119.08578	4.3
120.63097	1.0
123.08041	1.1
128.06230	10.8
129.07025	24.1
130.07768	1.8
131.04955	1.9
131.08582	20.5
132.05685	1.8
133.06490	4.6
133.10130	3.2
139.05409	0.9
139.35509	1.0
141.06995	9.4
142.07782	5.0
143.08548	6.2
144.05713	11.3
145.06494	6.4
145.10077	3.5
146.07260	2.9
147.08078	2.3
153.06967	1.8
155.06006	1.8
156.05708	2.4
157.06528	9.9
157.10121	1.7
158.07297	1.8
159.08076	26.2
159.11667	1.7
160.05234	1.4
160.08743	1.1
161.05998	3.7
161.09636	8.8
163.11151	1.1
167.07059	1.4
169.07654	3.8
170.07285	8.6
171.04396	1.5
171.08049	6.7
172.05215	2.2
173.05984	4.3
174.06766	3.3
175.07571	3.1
175.11227	1.3
178.06226	1.5
185.06030	1.4
185.13268	2.7
187.07567	19.7
189.05460	3.0
189.09129	10.2
189.12697	2.0
190.06262	1.6
198.06816	1.9
199.07498	2.0
201.05579	1.2
203.07030	6.0
203.14247	2.3
204.07886	11.6
205.08618	1.4
216.07822	5.0
218.09380	1.3
219.10091	2.0
221.07961	1.5
221.11694	2.3
231.10167	7.9
231.13766	2.3
232.82964	1.4
233.08092	1.0
234.08864	1.4
249.11237	100.0
249.14787	5.1
250.11542	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1337
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	3.5
55.01878	6.9
55.05517	11.5
56.05056	2.0
56.41605	1.8
56.96565	4.9
57.03446	14.4
57.07067	2.0
57.54851	2.2
59.05005	7.6
61.02900	2.6
65.03954	4.0
67.05515	20.7
69.03441	21.4
69.07068	7.2
70.06618	4.3
71.04986	9.2
71.51234	2.4
72.08154	4.8
75.04490	5.6
79.05499	14.0
81.03402	5.7
81.07060	10.1
83.04990	31.7
84.08147	6.2
85.02916	21.0
85.06557	2.2
86.09702	2.4
88.03976	2.5
88.07640	43.4
91.05490	17.3
92.05816	2.0
93.03419	3.6
93.07059	13.4
94.06566	8.3
95.04974	11.7
95.08615	8.3
97.02908	4.8
97.06537	25.3
98.97572	11.2
99.04479	3.4
101.05999	11.1
102.05551	2.7
103.05450	4.4
105.03398	3.2
105.07050	22.9
106.06597	4.3
106.90879	2.3
107.04956	5.1
107.08598	10.9
109.02861	5.4
109.06558	5.7
109.10162	3.8
111.04462	31.3
111.08077	4.2
115.05478	6.2
116.98613	4.8
117.07026	8.7
119.04953	16.9
119.08618	20.9
120.08103	2.9
120.12453	2.5
121.02848	3.4
121.06512	8.1
121.10164	7.8
122.06036	4.2
123.04427	5.1
123.08112	5.5
123.11711	2.4
125.06024	27.0
125.09617	2.8
127.03936	2.5
128.06247	4.9
128.98674	3.0
129.05498	9.6
129.07002	11.1
131.04942	3.9
131.08559	13.0
133.06496	7.5
133.10143	10.5
135.04431	6.4
135.08066	8.1
137.06035	9.7
139.07530	2.8
141.06999	3.0
142.07784	7.3
143.07048	25.2
143.08568	11.5
144.09326	2.7
145.06506	8.3
145.10168	12.7
147.04434	4.3
147.08073	9.8
147.11702	6.2
148.06047	2.4
149.06009	8.5
149.09647	4.6
150.05521	100.0
151.05724	2.2
151.07556	3.9
155.08522	2.6
156.09425	6.0
157.06476	2.5
157.10120	10.6
159.06567	9.1
159.08038	9.0
159.11751	5.1
161.05966	4.2
161.09665	12.2
161.13275	3.9
163.07494	3.4
163.08676	6.1
164.09439	6.7
167.07097	12.3
170.07249	3.2
170.10913	3.8
171.08179	2.4
171.11716	6.0
173.09619	6.8
173.13214	3.7
175.07555	5.8
175.11229	5.0
175.14854	7.4
177.05371	2.0
185.08009	2.6
185.13261	10.5
187.07535	3.1
187.11177	3.5
188.09462	3.2
189.09099	5.6
189.12747	5.7
195.11751	2.5
199.09705	8.9
203.07080	2.8
203.10579	2.7
203.14395	11.8
213.12738	7.4
221.15323	4.4
231.10208	3.7
231.13817	25.6
232.09474	2.7
244.06750	2.2
249.08681	5.6
249.12251	32.6
249.14926	28.1
249.19652	54.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1125
Annotation	Microhelenin E
Peak:m/z	Relative Intensity
50.28822	0.7
51.37053	0.5
55.01872	0.9
63.65920	0.5
67.05495	1.1
69.03440	1.2
70.66540	1.4
70.66873	0.7
78.04735	0.7
79.35520	0.6
81.07072	0.7
90.97781	0.7
91.05491	8.5
93.07052	0.7
95.04982	0.9
95.08619	0.8
103.05478	2.6
105.03415	2.8
105.07043	3.5
107.04952	2.0
109.10125	0.6
115.05473	6.7
116.06259	4.0
117.07031	3.5
119.08584	1.1
120.72969	0.6
128.06241	10.5
129.07024	21.4
130.07837	0.9
131.04929	2.3
131.08586	19.5
132.05736	1.2
133.06493	3.4
133.10136	2.1
141.06999	10.7
142.07816	4.9
143.04898	0.8
143.08562	3.3
144.05727	11.8
145.06511	6.3
146.07297	4.4
147.04390	1.4
147.08064	1.0
153.07011	2.3
155.04921	0.7
155.06053	2.2
156.05711	2.4
157.06525	11.4
157.68092	0.5
158.07272	2.5
159.04388	0.7
159.08078	29.0
160.05267	1.6
160.08824	1.0
161.06015	3.4
161.09630	7.8
167.07030	1.1
168.42775	0.6
169.06534	1.0
169.07658	3.8
170.07295	9.4
171.04396	1.7
171.08066	6.6
172.05209	4.6
173.06055	4.2
174.06813	2.8
175.07602	3.4
178.06236	1.0
184.05150	0.9
185.06038	1.2
186.06735	0.7
187.07570	19.6
188.08281	1.7
189.05505	3.4
189.09128	9.9
190.06293	1.2
191.07085	1.1
193.08652	1.6
198.06793	2.7
199.07516	3.3
201.05499	1.7
203.07072	5.6
204.07849	13.7
205.08592	1.4
206.09421	1.6
211.75514	0.7
216.07788	3.8
217.08572	1.1
218.09302	1.0
219.10213	2.0
221.08151	1.0
221.11729	3.2
231.08092	0.8
231.10220	8.2
234.08878	0.8
249.11259	100.0
249.25192	0.8
250.11652	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1125
Annotation	Mycorradicin
Peak:m/z	Relative Intensity
53.03955	0.5
55.01882	1.2
55.05512	1.3
57.03429	0.8
65.03925	1.0
67.05510	2.5
69.03434	2.5
69.07066	1.8
71.05000	0.9
79.05524	4.1
81.03431	0.7
81.07078	3.0
83.04982	1.6
85.06535	1.1
86.11321	0.5
91.05492	12.8
93.06576	0.4
93.07057	3.7
95.04963	1.8
95.08603	2.8
97.02876	1.2
97.06544	1.8
97.21039	0.5
98.21493	1.4
103.05467	2.0
105.07050	8.8
107.04980	4.1
107.08619	4.1
109.02917	0.5
109.06532	1.9
109.10155	1.1
115.05451	6.5
116.06247	3.8
117.07042	4.0
118.07847	0.7
119.04965	0.9
119.08597	4.8
121.06493	1.9
121.10166	2.4
123.04468	0.7
123.08102	1.3
125.06007	0.8
128.06238	11.5
129.07025	25.4
130.07773	2.0
131.04974	2.7
131.08588	22.9
132.05685	1.5
133.06523	3.7
133.10150	3.7
135.04446	1.9
135.08052	1.4
135.11684	0.9
137.05972	1.4
137.09679	0.6
141.07002	12.2
142.07806	5.6
143.04930	0.9
143.08580	7.6
144.05717	11.6
145.06502	6.1
145.10143	3.9
146.07297	3.6
147.04440	1.2
147.08109	2.4
147.11693	1.9
149.05956	0.5
149.09627	1.4
149.13303	0.7
151.03925	1.2
151.07666	0.6
152.06259	1.1
153.07019	2.1
155.06056	2.2
155.08603	1.0
156.05730	2.4
157.06506	11.1
157.10141	1.3
158.07307	3.3
159.04446	1.1
159.08073	27.5
159.11652	2.9
160.05237	1.7
160.08788	0.7
161.06024	4.2
161.09654	8.9
161.13301	1.6
163.07614	0.9
163.11159	0.9
167.07036	1.1
167.50961	0.6
169.06485	1.7
169.07721	3.0
170.07295	9.5
171.04422	1.9
171.08078	7.8
171.11700	1.8
172.05209	3.9
173.06020	4.9
173.09648	1.7
174.06813	2.4
174.11584	0.7
175.07565	3.4
175.11218	1.2
175.14864	1.3
184.05304	0.9
185.05984	1.2
185.09581	1.0
185.13301	2.5
186.06783	1.3
187.07581	21.1
187.11194	1.6
189.05489	4.3
189.09137	12.1
189.12814	1.9
190.06252	1.2
191.07063	1.4
191.10661	1.2
192.07903	0.7
193.08606	0.7
198.06810	1.7
199.07535	2.4
201.05476	1.8
201.12665	0.6
203.07065	7.5
203.10684	1.6
203.14333	2.6
203.15871	0.8
204.07835	15.1
205.08653	1.9
205.12239	1.0
206.09477	1.2
207.10361	0.6
213.12730	1.9
215.73560	0.5
216.07803	3.0
217.08644	1.3
218.09453	1.4
219.10258	2.5
221.08112	1.1
221.11731	3.6
221.15387	1.1
231.10249	7.6
231.13623	5.2
234.08879	0.7
249.11256	100.0
249.14801	9.1
250.11578	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	249.1125
Annotation	Mycorradicin
Peak:m/z	Relative Intensity
55.01881	0.6
55.05507	0.6
60.47645	0.7
67.05512	1.1
69.03419	1.1
69.07074	0.9
69.47653	2.8
69.48067	1.5
79.05498	1.1
81.07047	1.2
85.02901	0.7
91.05483	7.6
92.90894	0.5
93.07030	0.9
95.08595	1.0
102.04126	0.6
102.05516	1.0
103.05453	1.7
105.07040	4.5
107.04968	2.5
107.08592	1.4
109.06496	0.9
109.10257	0.6
115.05475	5.0
116.06264	2.7
117.07044	3.5
119.04988	0.6
119.08576	1.6
121.06477	1.3
124.08907	0.5
128.06224	9.6
129.07018	23.5
130.07756	1.2
131.04947	3.1
131.08582	18.2
132.05721	1.6
133.06500	2.5
133.10135	2.1
134.09630	0.8
137.05939	0.6
141.07007	9.5
142.07787	4.5
143.08546	4.0
144.05707	10.1
144.06786	1.0
145.06514	6.2
145.10049	1.4
146.07243	2.4
147.04405	1.3
147.08046	1.2
147.11681	0.9
152.06207	1.8
153.07011	2.1
155.06067	1.3
156.05698	1.7
157.06503	9.6
158.07239	2.2
159.08064	26.8
160.05193	1.3
161.06004	4.3
161.09641	7.8
169.06413	1.5
169.07642	2.8
170.07278	8.3
171.04465	1.7
171.08051	6.2
172.05202	3.0
173.05952	4.3
174.06783	1.9
175.07582	3.5
175.08878	0.6
175.11205	1.5
175.14883	0.7
178.06271	1.0
184.05191	0.7
185.06158	0.9
185.13255	0.9
186.06876	1.1
187.07565	19.2
188.08357	1.0
189.05475	2.8
189.09122	9.3
190.06328	1.0
191.06992	1.8
193.08650	0.9
198.06827	2.2
199.07590	2.6
201.05472	1.4
203.07019	6.0
203.14278	0.9
204.07823	13.5
205.08496	2.0
206.09489	0.9
213.12865	0.8
216.07823	3.6
217.08722	0.7
218.09335	0.9
219.10231	2.0
221.08138	0.9
221.11806	2.9
231.10184	7.9
231.13829	2.6
234.08766	0.8
249.11240	100.0
249.14783	3.1
250.11601	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1123
Annotation	Microhelenin E
Peak:m/z	Relative Intensity
62.65959	0.5
69.03421	0.9
69.85541	1.4
69.85949	0.9
79.05494	1.1
81.07064	0.6
91.05489	8.7
93.07032	0.5
95.04961	0.7
95.08622	0.6
100.47350	0.5
103.05455	1.4
105.07038	3.2
107.04937	2.3
107.08576	0.7
115.05453	6.8
116.06239	4.6
117.07008	3.0
119.04942	0.6
119.08582	0.8
121.06505	1.2
123.07973	0.5
125.64280	0.4
128.06226	11.2
129.07013	22.4
130.07761	1.0
131.04951	3.4
131.08578	20.6
132.05704	1.5
133.06485	3.4
133.10120	2.1
137.05940	0.6
141.07004	10.3
142.07762	3.8
143.04984	0.8
143.08578	3.2
144.05721	9.6
145.06512	6.0
145.10202	0.5
146.07275	4.3
147.04422	1.1
147.08026	0.9
152.06219	1.6
153.06979	3.2
154.30217	0.5
155.04971	0.5
155.06059	2.1
156.05702	2.0
157.06491	10.9
158.07224	3.0
159.04408	1.0
159.08063	28.4
160.05193	1.8
160.08623	0.8
161.05998	4.1
161.09633	7.6
161.13280	0.6
167.07013	0.7
169.06439	1.8
169.07640	4.0
170.07278	9.5
171.04378	1.4
171.08063	7.6
172.05219	4.4
173.06006	4.4
174.06737	2.9
175.07573	3.9
178.06303	0.9
178.07755	0.8
184.05237	0.7
185.05983	1.1
186.06731	0.7
187.05875	1.1
187.07561	18.9
188.08292	1.1
189.05518	3.4
189.09131	10.0
190.06230	1.3
191.07054	1.4
192.07745	0.7
198.06775	1.0
199.07506	3.2
201.05513	2.3
203.07014	6.2
203.08696	0.6
203.14240	0.6
204.07825	14.9
205.08492	1.6
205.10210	0.9
206.09381	1.3
216.07819	4.0
217.08655	0.9
218.09450	1.7
219.10162	1.7
221.08037	0.9
221.11697	3.9
231.10161	7.2
231.13730	0.9
234.08945	0.6
248.24805	1.0
249.11237	100.0
249.25310	1.4
250.11565	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1125
Annotation	Microhelenin E
Peak:m/z	Relative Intensity
55.05510	0.8
61.85575	0.6
64.53386	0.8
67.05495	1.3
69.03419	1.0
69.31322	6.2
79.05490	1.3
81.07043	0.9
89.65044	0.8
91.05072	0.6
91.05500	7.4
93.07034	0.9
95.04951	0.7
95.08602	0.8
97.02911	0.9
103.05458	1.1
105.07041	3.9
105.20393	0.7
107.04951	2.5
107.08618	1.7
115.05463	5.8
116.06248	4.2
117.07031	4.0
119.04948	1.4
119.08643	3.3
123.08073	1.4
128.06239	10.9
129.07021	21.0
130.07784	1.2
131.04927	2.8
131.08589	20.4
132.05769	1.2
133.06499	3.3
133.10127	2.5
135.08089	0.9
137.06052	0.8
141.06999	10.4
142.07823	4.8
143.08636	3.2
144.05737	10.7
145.06509	6.0
145.10138	1.3
146.07237	4.3
147.04433	1.2
147.08096	1.7
147.11662	0.8
152.06192	0.7
153.06984	2.2
155.06067	1.7
156.05687	2.4
157.06503	11.1
158.07260	2.9
159.04425	0.9
159.08076	31.3
160.05186	1.2
161.06035	3.5
161.09651	9.8
167.07001	1.5
169.06377	1.3
169.07637	3.3
170.07283	7.6
171.04375	1.6
171.08067	6.6
172.05193	3.0
173.05972	4.4
174.06796	3.0
175.07555	3.5
178.06274	1.3
185.06061	1.0
185.13275	1.1
186.06789	1.3
187.07567	20.1
187.09207	1.5
188.08302	1.4
189.05511	3.4
189.09132	8.7
190.06345	1.4
191.07069	1.6
193.08615	1.4
198.06758	2.8
199.07442	3.3
201.05484	2.1
203.07072	6.5
203.14389	1.5
204.07846	12.8
205.08621	2.1
205.12325	0.8
213.09337	0.8
215.07063	0.8
216.07837	4.5
217.08604	1.3
218.09483	1.6
219.10184	1.6
221.08020	1.3
221.11716	3.0
231.10194	8.0
231.13852	1.9
234.08958	0.9
249.11255	100.0
249.15230	2.9
266.96008	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1123
Annotation	Mycorradicin
Peak:m/z	Relative Intensity
54.83453	0.5
55.01860	0.8
55.05502	1.2
55.06073	0.5
57.03451	0.8
67.05504	3.1
69.03438	2.7
69.03732	0.5
69.07058	0.7
71.04978	0.8
71.43410	1.0
79.05502	3.4
81.07063	2.7
83.04964	1.3
83.08613	0.9
85.02930	1.1
91.05488	10.3
93.07042	3.8
94.06371	0.5
95.04948	2.0
95.08615	3.0
97.02887	1.3
97.06546	0.7
103.05462	2.3
105.07027	7.9
107.04948	3.8
107.08576	2.7
109.02895	0.9
109.06506	1.3
109.10159	1.3
111.08063	0.7
115.05463	6.3
116.06260	3.6
117.07017	4.9
119.04934	1.2
119.08590	4.4
121.06497	1.9
121.10113	1.8
123.04428	0.6
123.08072	1.6
128.06221	10.6
129.07019	21.9
130.07764	1.7
131.04933	3.0
131.08574	22.3
132.05693	1.5
133.06506	3.4
133.10149	4.3
135.04398	2.0
135.08043	1.6
135.11717	1.0
141.06987	10.7
142.07799	5.0
143.04955	0.8
143.08594	4.9
144.05713	9.7
145.06500	6.6
145.10104	2.3
146.03697	0.7
146.07269	4.1
147.04393	1.1
147.08051	1.9
147.11659	1.2
149.09625	0.9
151.07576	0.6
152.06216	0.9
153.06961	2.2
155.04909	1.1
155.06055	2.2
156.05672	1.9
157.06496	10.3
157.10136	2.0
158.07266	2.3
159.08066	30.3
159.11710	2.1
160.05197	1.0
160.08745	1.0
161.06013	4.6
161.09616	10.4
161.13229	1.1
163.07642	0.8
163.11189	1.0
167.07053	1.2
169.06406	1.3
169.07640	3.4
170.07272	8.7
171.04442	1.8
171.08057	7.1
171.11624	1.3
172.05208	3.9
172.08681	0.6
173.05966	4.3
174.06836	3.2
175.07556	3.6
175.11128	1.8
175.14798	0.8
178.06297	1.0
185.06000	1.3
185.09659	2.1
185.13170	1.4
187.07565	19.3
187.11227	0.9
188.04659	0.6
188.08273	1.8
189.03885	0.5
189.05498	3.1
189.09119	9.0
189.12755	0.7
190.06271	1.0
191.07068	1.1
193.08505	0.9
198.06717	2.3
199.07510	3.4
201.05435	2.0
203.07027	6.5
203.10663	1.4
203.14307	2.1
204.07825	13.5
205.08606	1.8
205.12268	1.1
206.09410	1.3
213.09077	1.7
213.12762	1.0
216.07811	3.8
218.09415	0.8
219.10164	1.7
219.13596	0.6
221.08061	1.1
221.11691	3.2
221.15286	0.6
231.10207	8.9
231.13806	4.9
234.08879	1.0
249.11232	100.0
249.14795	5.7
250.11548	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.112
Annotation	Mycorradicin
Peak:m/z	Relative Intensity
55.01871	1.8
55.05500	1.4
55.84791	0.7
57.03431	1.3
57.07061	2.9
58.07404	1.3
67.05482	2.4
68.56413	0.7
68.99776	0.7
69.03418	1.9
69.07060	1.3
70.06596	3.6
70.74059	2.3
71.06915	2.6
71.08630	0.7
72.08158	0.7
79.05498	1.8
81.07054	3.0
83.04898	0.9
88.07605	2.1
89.07957	2.3
90.08014	1.1
90.22488	0.7
91.05486	10.5
93.07053	3.0
95.04984	1.6
95.08596	1.8
103.05492	1.9
105.03384	2.5
105.07037	5.4
106.08651	1.0
107.04933	2.1
107.08511	1.6
108.09129	1.0
109.06553	1.3
109.10184	1.6
113.13669	0.7
115.05457	6.5
116.06230	3.8
117.06999	3.8
119.04934	0.8
119.08565	3.0
120.96051	0.7
121.06532	1.8
121.10117	2.1
125.06030	0.9
127.05346	0.8
128.06233	11.5
129.07022	21.7
130.07825	1.1
131.04929	2.9
131.08574	18.8
132.05659	1.4
133.06558	3.5
133.10130	4.1
135.08084	1.1
141.07011	9.8
142.07764	3.1
143.04901	0.8
143.08557	2.6
144.05707	9.3
145.06493	5.6
145.10139	1.6
146.07268	2.4
147.04420	1.6
147.08037	2.0
147.11684	2.0
152.06163	1.0
153.07002	2.7
155.06068	1.8
156.05688	1.7
157.06503	9.5
157.10042	0.9
158.07253	2.9
159.04466	1.0
159.08070	28.4
159.11572	0.7
160.05229	1.6
161.05959	4.2
161.09615	8.8
167.07085	1.1
169.06377	1.3
169.07643	3.9
170.07301	7.7
171.04468	1.5
171.08064	8.5
172.05180	4.3
173.06041	4.0
174.06752	3.0
175.07527	3.1
175.14832	2.0
177.05455	0.8
178.07979	0.9
181.06383	0.9
184.05307	0.7
185.06004	1.4
185.13321	1.0
186.06776	0.8
187.07567	21.8
188.08287	1.3
189.05449	3.0
189.09134	7.8
189.12759	1.0
190.06261	1.6
193.08569	1.1
198.06819	1.2
199.07549	2.9
201.05479	1.5
203.07007	6.5
203.08630	1.2
203.14383	1.3
204.07846	13.5
205.08578	2.0
205.10223	1.5
206.09341	1.6
216.07869	4.5
217.08649	1.0
218.09407	1.5
219.10181	2.1
221.08025	1.1
221.11758	3.3
229.23579	0.8
230.23917	1.0
231.08134	1.1
231.10185	7.6
231.13857	2.0
231.17508	0.9
231.24345	0.9
232.10692	0.9
234.08888	0.9
248.24950	10.7
249.11241	100.0
249.18457	2.7
249.25163	29.6
250.11542	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1126
Annotation	Mycorradicin
Peak:m/z	Relative Intensity
55.01873	0.7
55.05515	1.0
65.03973	0.5
65.96864	0.4
67.05499	1.3
69.03429	1.6
69.07084	1.0
71.04971	0.4
79.05511	2.0
81.03476	0.5
81.07083	2.2
81.07467	0.4
85.02921	0.4
85.06562	0.6
91.05500	8.8
93.07056	2.1
95.04987	0.7
95.08644	1.1
97.02889	0.7
97.06558	0.8
98.71851	0.4
98.97586	1.0
101.06051	0.5
103.05461	1.7
105.03429	1.0
105.07047	6.0
107.04976	2.3
107.08586	1.6
109.06580	0.5
109.10184	0.8
115.05476	6.9
116.06266	3.6
117.07044	4.3
118.07787	0.4
119.08603	3.0
121.06535	1.4
121.10173	1.0
123.08128	0.6
125.05996	0.6
128.06242	10.5
129.07028	21.6
130.07797	1.2
131.04956	2.8
131.08589	16.7
132.05728	1.4
133.06497	3.4
133.10138	3.8
135.04460	1.0
135.08047	1.0
135.11684	0.6
137.05998	0.6
139.05479	0.5
141.07019	11.9
142.07809	5.0
143.04929	1.1
143.08578	4.8
144.05731	10.9
145.06517	6.3
145.10150	1.1
146.03561	0.7
146.07268	3.1
147.04448	1.5
147.08044	1.7
147.11731	1.2
152.06223	1.3
153.06970	1.9
155.06053	1.8
156.05717	1.6
157.06525	8.8
157.10150	0.9
158.07332	2.0
159.04463	0.8
159.08083	28.5
159.11723	0.8
160.05208	1.7
160.08798	0.7
161.06029	4.1
161.09648	7.9
161.13335	1.0
163.07695	0.5
163.11163	0.5
167.07101	1.1
169.06465	1.5
169.07654	3.6
170.07312	9.5
171.04468	1.9
171.08064	7.1
171.09373	0.6
171.11702	0.9
172.05234	4.1
173.06030	4.8
173.09492	0.6
174.06815	3.1
175.07608	3.0
175.11287	0.6
175.14816	1.0
178.06284	1.0
178.07689	0.6
180.25568	0.4
184.05232	0.9
185.06009	1.4
185.13258	0.4
186.06796	1.0
187.07571	19.4
188.04767	0.6
188.08316	1.7
189.05524	3.7
189.09135	10.2
189.12776	1.7
189.16498	0.8
190.06261	1.4
191.07094	1.4
191.10732	0.6
192.07846	0.7
193.08582	0.7
198.06802	2.0
199.07574	3.0
200.08307	0.6
201.05513	1.7
202.07954	0.5
203.07063	6.9
203.08783	0.7
203.14316	1.4
204.07858	12.3
205.06822	0.5
205.08455	1.9
205.10155	1.3
206.09412	1.9
207.10048	0.5
207.13757	0.6
213.12741	0.8
216.07866	4.2
217.08543	0.6
218.09401	1.3
219.10179	1.5
221.08093	1.2
221.11696	2.9
231.08150	0.8
231.10217	7.6
231.13733	2.6
231.17537	0.7
246.83485	0.4
249.11270	100.0
249.15237	3.0
250.11572	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1125
Annotation	Mycorradicin
Peak:m/z	Relative Intensity
53.03944	1.0
55.01882	1.1
55.05503	2.1
57.03446	0.8
67.05499	2.5
69.03435	1.7
69.07067	1.5
69.85459	3.3
71.04980	1.1
74.31828	0.7
79.05487	3.1
81.03423	1.1
81.07067	3.4
83.04989	1.4
85.02897	1.2
91.05486	11.5
93.07072	4.5
95.04971	2.5
95.08621	3.5
97.02923	1.3
97.06564	1.1
98.97569	1.2
99.04427	0.8
103.05464	3.1
105.03397	1.1
105.07046	8.9
107.04942	2.6
107.08601	4.2
109.06496	1.3
109.10162	2.2
111.08058	0.8
115.05456	6.6
116.06247	5.2
117.07037	4.8
119.04971	1.1
119.08586	5.4
121.06497	2.0
121.10178	2.2
123.04459	1.0
123.08064	1.7
125.09645	1.1
128.06236	10.6
129.07018	22.6
130.07831	0.8
131.04967	5.1
131.08575	20.5
132.05708	1.2
133.06491	3.0
133.10139	5.0
135.08051	1.7
135.11748	1.2
137.05945	0.9
137.09612	0.9
141.07002	11.3
142.07796	5.7
143.08569	6.8
144.05716	10.8
145.06497	6.2
145.10138	2.5
146.07294	4.8
147.04379	1.3
147.08054	2.0
147.11678	3.2
149.09534	0.8
149.13361	0.8
152.06238	1.8
153.06984	2.2
155.06049	2.9
155.08571	0.9
156.05698	1.6
157.06499	11.6
157.10153	1.9
158.07265	2.8
159.08064	32.1
159.11699	1.3
160.05257	0.9
160.08737	1.1
161.05969	5.5
161.09630	12.2
163.07535	1.2
167.07097	1.2
169.06396	1.5
169.07632	4.6
170.07280	9.6
171.04401	1.8
171.08072	8.7
171.11671	1.4
172.05177	4.2
173.05997	5.3
173.09613	0.8
174.06760	3.3
175.07571	3.8
175.11163	1.4
175.14886	2.1
177.05434	0.9
178.06345	0.9
178.07803	1.6
185.06000	1.7
185.13293	1.7
187.07568	21.6
188.08318	1.6
189.05534	3.8
189.09131	10.1
189.12776	1.5
190.06311	1.2
191.07054	1.9
191.10638	1.2
193.08606	1.1
193.10176	1.0
198.06770	1.4
199.07552	3.3
201.05496	2.0
202.07864	1.2
203.07011	7.3
203.08643	1.8
203.10631	1.2
203.14325	2.6
204.07828	14.6
205.08598	2.1
205.10281	1.5
206.09277	0.9
207.10178	0.8
207.13635	0.9
213.12755	1.4
216.07852	4.4
217.08667	1.8
218.09351	1.2
219.08244	0.9
219.10161	2.7
221.09769	1.3
221.11491	3.8
231.08023	2.4
231.10185	7.5
231.13736	4.5
231.17349	1.3
234.08954	1.1
249.11238	100.0
249.14523	5.3
249.18314	4.1
250.11513	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	249.0375
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96566	12.9
57.03430	9.1
69.03440	9.6
70.06589	15.7
70.38148	5.8
71.48962	4.9
71.49395	5.0
73.02920	4.9
78.20638	4.3
82.99857	12.2
85.02906	12.1
97.02885	10.2
98.97598	87.4
101.00896	90.8
101.34538	5.6
103.00607	5.6
110.97594	8.3
113.00935	6.4
115.02408	6.8
116.07086	13.9
116.98643	19.5
119.01922	100.0
119.02715	7.2
121.01674	6.2
127.02406	6.7
127.61617	5.2
131.00160	6.6
131.01907	22.1
133.03494	12.0
137.02963	13.4
143.00150	11.4
143.01901	36.4
145.03473	13.6
157.03485	14.0
159.01428	14.8
161.01633	5.4
161.02985	51.2
171.01408	8.4
171.05054	9.4
173.01271	19.4
173.02974	12.6
177.00983	5.9
177.02464	22.3
187.04541	10.1
189.00771	12.2
189.02403	60.5
191.02242	8.8
191.03990	6.1
201.02521	13.9
203.03967	6.4
207.01717	15.4
207.03531	10.7
219.12183	5.2
223.06648	6.2
231.03557	10.1
249.04446	33.3
249.08427	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	249.1125
Annotation	Mycorradicin
Peak:m/z	Relative Intensity
52.57420	0.4
55.01891	0.8
55.05498	0.7
56.96564	0.7
57.30854	0.4
64.97239	0.4
67.05492	0.9
69.03433	1.1
69.07063	0.5
70.93431	1.2
71.04986	0.4
71.67429	0.5
72.29211	0.6
79.05490	0.9
81.07024	0.8
90.62171	0.5
91.05492	8.1
93.07026	0.6
95.04981	0.7
95.08584	0.7
97.02881	0.5
103.05452	1.5
105.07047	3.4
107.04948	2.2
107.08611	0.8
112.01316	0.4
115.05463	6.1
116.06262	3.8
117.07031	3.3
119.04974	0.6
119.08570	1.7
121.06493	0.8
128.06241	10.9
129.07022	23.7
130.07800	1.5
131.04985	3.2
131.08591	19.8
132.05745	1.2
133.06509	3.5
133.10152	2.3
139.05441	0.9
141.07008	9.9
142.07774	4.4
143.04915	1.0
143.08578	4.1
144.05736	10.7
145.06503	6.0
145.10149	0.6
146.07285	3.2
147.04411	1.6
147.08075	1.0
152.06178	1.2
153.07065	2.3
155.06046	2.0
156.05693	2.2
157.06522	8.4
158.07344	2.9
159.08080	30.0
160.05281	0.9
160.08784	0.6
161.05989	4.2
161.09631	7.5
167.07013	0.9
169.06520	2.3
169.07707	3.8
170.07292	9.4
171.04410	1.9
171.08070	7.1
171.11679	0.6
172.05188	3.0
173.05978	5.4
174.06778	3.5
175.07585	3.9
177.05406	0.5
178.06296	0.7
181.06375	0.5
184.05202	0.6
185.06010	1.1
186.06728	0.7
187.07573	19.2
188.08319	1.8
189.05481	3.3
189.09123	8.6
190.06317	1.1
191.07080	1.5
192.07774	0.9
193.04982	0.5
193.08667	0.7
198.06769	2.2
199.07590	2.7
201.05481	1.8
203.07060	6.3
204.07854	13.6
205.08572	1.6
206.09393	1.5
216.07845	4.6
217.08577	0.8
218.09389	1.3
219.10138	2.4
221.08212	1.0
221.11749	2.9
231.10178	6.9
231.13791	0.8
234.08926	1.0
249.11256	100.0
250.11502	1.0
253.42105	0.5
256.31207	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.206
Annotation	(S)-Panaxjapyne A
Peak:m/z	Relative Intensity
52.03504	1.0
53.03950	1.7
55.01866	3.5
55.05518	21.3
56.96539	1.0
57.03426	1.7
57.07077	2.2
67.05182	1.1
67.05515	13.7
69.03400	1.8
69.07068	5.3
71.04980	2.3
71.51353	1.5
78.65871	1.0
78.66312	1.1
79.05507	38.8
81.03416	2.0
81.07069	13.7
83.04979	1.8
83.08616	4.4
83.40923	0.9
84.01912	0.9
84.68620	0.9
91.05492	11.9
93.06488	1.5
93.07051	26.5
95.04961	2.1
95.08616	10.8
96.10174	1.0
97.06590	1.1
97.10173	7.9
98.98457	3.1
105.07040	11.1
105.86377	0.9
107.04967	40.5
107.08604	18.6
109.06531	2.4
109.10175	7.7
117.07025	3.6
119.08589	7.2
121.06506	2.7
121.10146	12.9
123.08025	1.5
123.11687	2.7
125.09629	3.9
128.57877	1.0
131.08615	6.9
133.10172	7.0
135.08047	1.5
135.11746	6.6
137.09659	1.2
145.10124	4.1
147.11691	3.9
149.09637	100.0
149.13292	3.2
150.09930	1.0
159.11719	3.4
161.13242	1.8
163.11194	4.3
173.09648	1.2
173.13303	2.7
175.14870	1.3
177.12772	3.1
187.14764	2.2
189.16403	1.5
191.14342	1.3
201.12978	1.2
201.16351	1.3
229.19566	6.3
247.06059	1.3
247.09846	1.6
247.13188	2.2
247.16776	3.0
247.20602	87.0
248.20998	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1333
Annotation	Parishin B
Peak:m/z	Relative Intensity
52.13833	0.9
53.03939	3.8
55.01866	3.2
55.05523	11.3
56.96564	1.1
57.07076	1.4
59.04995	4.8
65.03941	3.5
67.05515	19.3
68.99771	1.4
69.03458	5.3
69.07075	7.6
69.18388	4.1
69.18818	6.7
71.04987	2.4
72.02023	1.1
77.03925	1.2
79.05506	17.0
81.03420	2.3
81.06659	1.7
81.07075	19.3
83.04995	35.1
83.08617	2.9
85.06526	2.1
91.05495	33.1
92.49278	1.1
93.03486	1.1
93.07058	18.2
95.04987	13.4
95.08619	14.6
97.02894	2.2
97.06561	5.4
98.21537	2.4
98.97617	1.3
99.04440	1.4
100.84593	1.0
103.05505	2.9
104.66876	1.0
105.03426	1.7
105.07048	36.6
107.04955	4.2
107.08602	25.6
108.09429	1.2
109.02897	1.2
109.06520	8.7
109.10157	5.1
111.04446	2.2
111.08098	1.4
113.05988	2.9
115.05453	5.8
116.06236	2.9
117.07033	13.1
119.01542	1.0
119.04942	4.7
119.07809	2.1
119.08596	27.2
121.06508	8.2
121.10188	6.0
123.04428	2.6
123.08064	6.1
123.11721	1.1
125.05992	3.4
126.37989	1.1
128.06248	9.2
129.07039	11.3
130.07797	3.8
131.04913	3.5
131.08588	43.1
132.05693	1.2
133.06506	4.6
133.10152	9.5
135.04385	2.0
135.08063	8.6
135.11674	1.7
137.05978	3.1
137.09659	3.6
139.07552	2.1
141.05469	3.7
141.06990	9.1
142.07796	7.6
143.08572	17.9
144.05727	2.9
144.09331	4.0
145.06508	13.5
145.10153	23.3
145.11293	1.7
146.07312	1.7
147.08051	17.6
147.11690	6.9
148.08855	2.1
149.05998	3.0
149.09637	6.9
149.13295	1.6
151.07533	5.4
153.05818	1.3
153.07019	5.2
154.07790	1.9
155.06010	1.5
155.08560	11.1
156.09331	2.7
157.06493	3.3
157.10138	10.4
158.07294	3.4
158.10985	6.7
159.08081	28.1
159.11703	20.1
160.08852	2.4
161.06006	2.9
161.09648	9.6
161.13312	1.8
163.03963	1.3
163.07581	6.4
163.11197	2.8
163.14832	1.2
165.09120	3.2
167.06992	1.4
167.08437	1.2
168.09348	10.1
169.06451	1.7
169.10126	3.6
170.10876	1.4
171.08086	5.7
171.11674	3.5
172.08839	3.6
173.06007	3.9
173.09694	10.5
173.13281	29.2
175.07558	2.5
175.11217	4.4
175.14827	3.2
177.09193	6.5
177.12807	2.0
181.06543	1.2
183.04387	1.5
183.11716	16.4
185.09654	3.1
185.13300	3.6
186.10460	5.8
187.07558	9.1
187.11238	9.4
187.14854	4.5
189.09123	4.1
189.12733	2.0
190.07779	1.7
191.07014	4.1
191.08627	2.8
191.14326	4.7
193.10135	1.5
196.08815	2.2
199.11246	2.0
201.05453	1.6
201.09053	3.5
201.12764	56.4
201.16423	1.9
202.13135	1.3
203.10654	2.8
203.14316	4.3
205.06772	1.0
205.08571	5.0
205.12248	4.3
211.11221	8.5
211.14806	1.4
217.12338	2.8
219.08124	1.9
219.10175	1.2
219.13831	14.2
229.04865	1.7
229.12271	43.8
229.15942	3.1
229.19539	1.3
247.05933	5.0
247.07675	5.0
247.13318	100.0
247.16939	9.4
247.24419	2.8
248.13580	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1333
Annotation	3-Oxo-4,11(13)-ivaxallaradien-12-oic acid
Peak:m/z	Relative Intensity
52.04013	1.8
53.03932	2.0
55.01870	5.1
55.05503	9.1
57.07076	2.4
57.66101	1.8
59.04996	1.9
65.03922	3.8
67.05510	18.2
68.94273	1.8
69.03441	15.8
69.07057	6.7
71.04971	2.4
71.12688	4.5
72.15771	1.8
75.75750	1.6
79.05502	17.6
81.07063	25.6
83.05003	12.2
85.02898	2.6
91.05493	39.0
93.07050	20.0
95.04964	10.7
95.08607	11.4
97.06515	6.7
103.05476	6.5
105.06400	3.4
105.07042	44.5
107.04967	5.8
107.08607	21.1
109.06522	11.1
109.10136	2.4
115.05459	7.7
115.38024	1.8
116.06236	3.5
117.07030	18.6
119.04973	4.5
119.07816	2.7
119.08598	37.2
121.06527	10.9
121.10143	5.8
123.04436	4.3
123.08049	8.2
124.60085	1.8
125.06088	2.0
128.06244	18.2
129.07030	24.9
130.07835	3.5
131.04910	4.0
131.08582	61.2
133.06517	12.0
133.10123	13.6
135.04465	3.1
135.08043	8.4
137.05898	2.6
141.05457	2.5
141.06984	12.2
142.07816	9.3
143.08589	30.2
144.05708	6.3
144.09331	7.5
145.06508	18.0
145.10138	29.3
146.07188	2.1
147.06360	2.2
147.08076	21.3
147.11661	5.8
149.05998	4.9
149.09665	4.9
149.13321	3.4
151.07527	5.0
153.07005	8.8
154.07857	2.6
154.56067	1.7
155.06113	2.2
155.08580	25.2
156.09343	10.6
157.06461	7.5
157.10103	14.6
158.07254	6.8
158.10919	7.3
159.06870	2.7
159.08086	43.1
159.11676	22.9
160.08806	2.7
161.05991	33.6
161.09653	13.0
161.13284	2.1
163.07571	6.0
163.11177	3.1
167.08649	3.6
168.09386	15.2
169.06468	5.5
169.10159	5.4
170.10860	2.3
171.08066	7.6
171.11700	9.5
172.08885	9.5
173.06006	4.7
173.09651	14.7
173.13278	31.8
175.07558	6.5
175.11237	9.6
177.09184	8.8
177.12843	3.5
178.07870	3.1
181.06619	1.9
183.08096	9.8
183.11714	29.8
184.08899	3.9
185.09645	3.1
185.13248	5.4
186.06659	2.7
186.10471	5.0
187.07570	29.9
187.11183	17.7
187.14786	4.9
189.09126	7.1
189.12761	7.6
191.14424	4.6
193.10188	2.7
196.08824	4.6
199.07712	2.6
199.11206	13.2
200.08356	3.8
201.09088	13.1
201.12767	76.7
203.10666	3.7
203.14325	4.7
205.08568	4.5
205.12297	4.2
211.11189	11.4
214.09872	2.1
216.11455	11.8
217.08720	2.3
217.12270	33.4
219.13780	12.9
229.04791	1.9
229.12267	49.6
229.15805	2.9
247.05728	2.9
247.07808	3.5
247.09676	4.2
247.13310	100.0
247.16936	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	247.1331
Annotation	3-Oxo-4,11(13)-ivaxallaradien-12-oic acid
Peak:m/z	Relative Intensity
53.03943	5.2
55.01878	3.1
55.05515	11.0
57.03439	2.4
59.04993	4.2
65.03942	2.9
67.05512	25.8
69.03444	13.3
69.07071	9.9
71.52015	2.8
72.64880	1.7
79.05498	18.3
81.03421	3.0
81.07060	28.5
83.04988	12.8
83.08615	4.4
87.84384	2.2
91.05486	48.0
93.07062	21.2
95.04999	13.2
95.08613	12.4
95.29440	1.9
97.02887	2.6
97.06512	5.5
100.55265	1.9
103.05456	7.6
105.07046	45.0
107.04943	4.8
107.08605	23.8
109.06525	12.8
109.10192	2.3
111.04423	3.0
115.05438	12.5
116.06235	3.8
117.07030	16.9
118.22710	2.4
119.04934	6.9
119.08600	42.6
121.06509	14.9
121.10132	7.8
123.04411	6.3
123.08039	5.8
128.06227	19.8
129.07010	31.1
130.07741	5.5
131.04919	9.4
131.08588	64.2
133.06473	8.1
133.10176	12.3
135.04333	3.8
135.08034	7.9
137.05959	3.4
137.09576	2.9
141.06999	18.0
141.96783	1.8
142.07771	14.0
143.08560	35.5
144.05696	7.1
144.09320	5.2
145.06491	18.7
145.10141	40.3
145.11279	2.0
146.07239	4.0
147.08066	28.2
147.11650	7.4
149.06032	3.4
149.09622	3.9
151.07547	6.7
153.07007	10.2
154.07806	3.8
155.08575	23.0
156.09328	8.3
157.06485	6.9
157.10159	15.3
158.07257	5.3
158.10912	9.4
159.08066	49.9
159.11688	23.1
160.08792	2.7
161.05998	34.7
161.09637	15.0
161.13176	2.6
163.07555	8.0
163.11180	2.6
165.07062	2.7
167.08533	5.4
168.09352	17.3
169.06409	4.2
169.10077	5.4
170.11000	4.1
171.08105	13.4
171.11690	13.0
172.08803	7.3
173.05972	4.6
173.09630	24.0
173.13272	42.8
174.06746	2.0
175.07565	4.5
175.11160	8.7
176.08151	1.8
177.05501	2.5
177.09065	8.6
177.12714	2.4
181.06532	2.7
183.08093	13.5
183.11714	37.3
184.08858	4.0
185.05945	2.4
185.09645	3.6
185.13252	7.0
186.06750	3.1
186.10423	5.1
187.07558	43.8
187.11186	29.4
187.14848	3.2
188.08281	4.1
189.09105	8.9
189.12796	10.5
191.10670	2.6
191.14349	4.0
193.10172	4.7
196.08853	8.1
198.07080	2.3
198.10391	2.8
199.07495	4.1
199.11200	18.5
200.08272	4.3
201.09134	16.0
201.12764	98.4
203.10660	6.0
203.14279	5.5
205.08606	7.9
205.12180	3.9
211.11205	13.5
216.11464	17.1
217.08765	3.9
217.12227	43.3
219.08110	2.1
219.13799	15.0
229.12254	66.3
229.15659	3.7
247.07707	4.0
247.09743	5.1
247.13286	100.0
247.16870	13.3
248.13568	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	247.1332
Annotation	Isohypoglabric acid
Peak:m/z	Relative Intensity
50.51827	1.4
53.03938	4.0
55.01862	2.0
55.05510	8.1
57.07063	2.1
59.04990	1.7
65.03934	6.2
65.26480	1.4
67.05511	10.3
68.99796	1.8
69.03436	19.9
69.07066	4.2
71.04974	2.7
71.51343	1.6
71.51778	1.9
79.05498	14.0
79.87358	1.4
81.03409	1.9
81.06659	1.5
81.07064	14.6
83.04559	1.9
83.04992	22.4
83.08620	1.7
85.02926	2.8
85.06539	2.5
91.05486	27.4
93.03397	5.2
93.06489	1.8
93.07051	20.4
95.04985	8.6
95.08641	12.5
97.02900	8.6
97.06521	2.5
98.97570	2.3
98.98462	2.2
101.37826	1.7
103.05475	2.5
105.06402	2.2
105.07047	21.6
107.04964	3.2
107.08604	21.3
109.02877	11.3
109.06527	13.1
109.10145	6.1
111.04428	6.7
111.08096	3.1
115.05449	8.0
116.06191	2.6
117.07027	15.9
119.04973	1.4
119.08586	22.9
121.02862	3.5
121.06524	16.5
121.10136	9.2
122.16417	1.3
123.08070	4.9
123.11699	1.8
127.03876	2.0
128.06224	6.7
129.07016	17.4
130.07813	3.8
131.04919	5.6
131.07607	2.1
131.08574	31.3
132.05705	3.5
133.06516	2.2
133.10123	14.5
135.04465	2.7
135.07121	2.3
135.08061	28.8
135.11662	3.1
136.08875	1.9
137.05981	4.1
137.09596	4.1
139.03874	1.4
141.07008	6.9
142.07784	5.5
143.08591	16.3
144.05702	2.5
144.09355	11.0
145.06490	14.7
145.10153	21.3
147.08115	7.5
147.11694	4.1
149.05972	1.8
149.09630	21.2
149.13289	2.2
150.10399	3.6
151.07613	2.2
151.11177	4.2
153.07031	3.6
153.09116	2.2
154.07730	1.8
155.08537	6.0
157.06483	2.5
157.10115	6.1
158.07277	5.3
158.10915	11.1
159.04356	1.5
159.08070	22.5
159.11711	33.0
160.08812	4.3
161.06000	2.4
161.09598	6.5
161.13269	3.1
163.07545	21.6
163.11154	2.5
165.09128	2.7
168.09323	5.6
169.06445	1.7
169.10133	4.3
170.10931	3.5
170.74155	1.6
171.08055	9.3
171.11652	3.9
172.08853	15.1
173.06003	4.0
173.09634	35.2
173.13277	34.1
175.07584	5.0
175.11221	2.9
177.09061	2.1
177.12810	2.0
181.06467	2.5
183.11696	14.2
185.13298	4.3
186.06712	1.7
186.10417	20.2
187.07645	9.2
187.11200	100.0
187.14755	12.8
189.09074	3.6
189.12764	1.8
189.16434	1.9
191.07042	38.5
191.08588	4.1
191.10526	2.1
191.14334	2.6
196.08856	5.1
198.06970	1.6
199.07562	3.0
201.05392	2.1
201.09096	3.6
201.12764	55.7
201.16441	2.6
203.14334	3.0
205.08557	2.8
205.12231	8.0
211.11243	9.2
214.09912	3.1
215.06804	1.5
215.14259	2.1
219.08073	2.4
219.10199	2.1
219.13792	6.7
229.04953	3.3
229.08707	3.1
229.12259	61.0
229.15887	4.5
247.05658	10.0
247.09779	6.3
247.13301	85.9
247.16870	13.1
247.20520	4.2
248.13580	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	247.1332
Annotation	Isohypoglabric acid
Peak:m/z	Relative Intensity
53.03953	2.9
53.11993	0.5
55.01862	1.9
55.05523	3.8
57.03433	1.8
57.07064	1.8
57.96696	0.6
62.38345	0.6
65.03931	2.0
67.05509	8.5
69.03428	3.0
69.07074	4.0
70.19711	1.6
71.04978	1.6
77.03965	0.6
79.05501	9.9
81.03417	3.3
81.07066	5.9
83.04974	3.0
83.08617	0.8
85.02901	0.8
85.06583	0.5
91.05491	18.2
93.07050	19.7
93.07642	1.1
94.07851	0.8
95.01432	0.6
95.04974	8.4
95.08611	6.7
97.02915	1.1
97.06537	1.6
99.04463	0.9
103.05460	2.5
103.80281	0.5
105.07038	23.6
107.04942	2.0
107.08606	25.5
108.09385	10.7
109.02864	2.4
109.06535	4.8
109.10192	3.1
111.04424	0.7
115.05438	2.9
116.06261	1.2
117.07030	11.4
117.07844	0.6
119.04935	0.9
119.06091	1.1
119.08595	20.2
121.06528	3.5
121.10148	9.7
123.04431	1.5
123.08076	6.2
125.02354	1.8
125.06045	1.0
127.03938	6.0
128.06212	3.8
129.07004	8.0
130.07797	2.4
131.04930	2.2
131.08582	22.0
132.05707	0.7
133.06544	3.0
133.07411	0.8
133.10146	14.3
135.04388	1.1
135.08080	4.8
135.11699	1.9
137.05963	1.5
137.09593	1.8
139.07545	0.7
141.05382	0.9
141.07010	3.1
142.07813	4.1
143.08566	10.1
144.05608	0.7
144.09354	2.9
145.06490	8.9
145.10127	19.5
146.07248	1.2
147.08060	5.2
147.11708	4.2
148.30440	0.6
149.06012	1.4
149.09619	2.4
151.07561	1.0
153.05618	0.5
153.07043	2.0
155.08571	3.8
156.09343	2.6
157.06488	1.6
157.10143	8.0
158.07288	1.4
158.10936	4.5
159.08067	11.2
159.11703	12.2
160.08820	1.7
161.05969	1.3
161.09641	5.1
161.13290	1.7
163.07594	2.7
163.11211	4.2
165.05544	1.1
165.09129	2.6
168.09366	5.7
169.10132	2.2
170.10912	1.6
171.08046	2.3
171.11729	2.9
172.08865	2.9
173.05934	1.9
173.09662	9.2
173.13272	17.1
175.11211	3.8
175.14714	0.8
177.09126	1.6
183.11705	11.1
185.09593	1.7
185.13266	2.6
186.10408	4.9
187.07558	1.9
187.11191	9.2
187.14844	1.5
188.11928	1.7
189.09109	1.6
189.12737	1.6
191.07062	4.7
191.08513	0.7
191.09033	0.7
191.10684	5.7
196.08923	1.3
199.11208	7.9
201.12761	36.6
202.13124	0.6
203.10695	1.9
203.14319	2.0
205.08742	3.2
205.12292	1.6
211.11211	2.3
214.09862	0.6
217.08607	1.2
217.12212	1.4
219.08083	0.7
219.13838	9.5
229.12259	18.4
232.10966	3.6
247.13310	100.0
248.13660	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.2266
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77619	1.9
55.05497	8.0
57.07071	2.5
62.70303	1.9
67.05521	9.0
69.07074	20.8
71.51972	2.4
79.05478	7.2
81.07061	32.5
83.08617	7.5
91.05481	6.4
93.07043	12.5
95.08615	38.6
97.10199	4.0
104.69019	1.7
105.07046	11.4
107.08604	39.8
109.10148	22.9
111.11664	2.4
119.08589	19.5
121.10164	31.8
123.11687	16.7
124.63897	1.7
133.10129	10.8
135.11682	19.6
135.47086	1.5
137.13269	19.6
147.11674	8.1
148.48637	1.7
149.13275	11.3
149.83742	1.6
161.08263	2.5
161.13239	9.3
163.09798	2.0
163.14821	7.7
175.14850	27.4
189.16374	15.2
229.64432	1.7
245.04401	2.8
245.11536	2.8
245.15401	3.4
245.22661	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.2267
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	9.8
57.07083	7.1
67.05505	12.8
69.07073	15.3
70.76642	2.1
71.08611	0.9
74.57758	0.9
79.05496	5.8
81.07066	26.8
83.08632	7.9
91.05489	7.1
93.07050	16.9
95.08611	30.0
97.10163	4.0
105.07040	17.9
107.08599	24.1
109.10166	19.3
111.11739	1.4
117.06966	1.0
119.08595	22.3
121.10158	19.6
123.11720	12.9
129.25423	1.0
131.08569	1.9
133.10139	18.9
135.11717	15.9
137.13278	8.2
145.10121	2.2
147.11707	12.8
149.13283	17.3
151.14792	1.7
152.40541	1.0
154.04066	0.8
157.10115	1.3
159.11679	1.4
161.13274	18.5
163.14836	21.1
171.11563	1.1
175.14842	22.5
177.16394	2.2
184.60031	1.1
187.14825	2.6
189.16397	22.0
201.16344	1.7
202.17224	1.9
203.17979	9.6
217.19609	1.6
226.45619	1.0
227.17883	1.0
245.04428	1.7
245.22668	100.0
246.22958	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.2266
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44606	0.6
53.03922	0.8
55.05316	0.6
55.05513	6.8
57.07067	2.5
67.05505	9.4
68.04980	0.6
69.07072	15.4
70.45689	1.3
71.08614	0.7
73.53538	0.6
79.05499	4.4
79.45733	0.6
81.07061	26.4
83.08616	6.1
91.05476	4.5
93.07047	11.5
95.04980	0.7
95.08612	34.0
97.10182	3.2
105.07040	10.6
107.08600	31.1
109.10160	21.5
111.09344	0.6
111.11710	1.8
119.08594	14.3
121.10152	24.6
121.11026	1.3
123.11710	16.6
128.85570	0.6
131.08481	0.7
133.10136	9.7
135.11694	17.6
136.08633	0.8
137.13261	14.2
147.11707	5.8
149.13264	11.6
151.14783	1.1
153.01456	0.7
161.13258	7.5
163.14857	5.8
173.13303	0.8
175.14839	24.4
176.15526	1.0
177.16382	2.4
189.16402	15.2
203.18001	1.4
217.19510	1.2
245.04364	0.9
245.22664	100.0
246.22987	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1862
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33285	0.2
53.03952	0.4
54.34072	0.2
55.05522	0.4
56.05038	0.3
56.96556	0.3
57.05835	0.2
62.06101	0.6
67.05521	0.5
69.03427	0.4
69.07071	11.1
70.06574	0.3
71.05008	0.3
71.10437	0.5
72.08168	0.4
79.05492	0.6
81.03426	0.4
81.07079	0.5
83.04997	0.3
85.06539	0.2
86.09711	100.0
87.10043	0.5
91.05499	1.1
93.07042	0.6
95.04972	0.3
95.08575	0.6
103.08891	0.3
105.01900	0.2
105.07029	0.7
107.08575	0.5
115.05486	0.3
117.07031	0.4
117.14614	0.2
121.06501	0.3
121.10188	0.4
128.06207	0.5
129.06993	0.4
131.08562	0.5
132.10222	1.8
133.06526	0.3
133.10100	0.2
141.07027	0.4
142.07826	0.5
143.08556	1.1
147.08075	0.4
155.08563	0.3
156.09387	0.4
157.10121	0.6
159.08064	0.3
169.06554	0.3
171.08083	0.4
171.11703	0.9
181.10179	0.3
183.11613	0.2
189.05379	0.3
199.11299	1.3
199.18114	0.7
203.10526	0.3
209.09682	0.2
227.10747	0.9
227.18111	0.3
245.04510	2.1
245.07996	0.5
245.11917	1.8
245.15851	0.4
245.18579	3.1
246.13483	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1751
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	2.3
55.05517	45.6
57.03448	4.1
57.07078	3.7
59.05001	6.3
61.83050	2.4
67.05510	31.6
69.03430	19.4
69.07079	21.2
71.04994	9.0
79.05484	13.4
81.07061	37.0
83.04990	44.4
85.06550	37.8
86.09700	9.9
88.60306	2.3
89.81406	2.5
91.05475	9.2
93.07052	32.1
95.04962	7.4
95.08623	95.8
97.06553	7.8
97.10172	4.0
99.04455	8.7
99.08108	15.2
101.06040	6.3
105.07034	12.7
107.08582	30.9
109.06510	8.8
109.10164	30.1
111.08109	5.2
113.09665	30.6
119.08607	12.1
120.42759	2.6
121.10155	40.6
123.08080	20.5
123.11720	3.4
125.09649	22.2
129.07024	4.2
131.08589	4.5
133.10127	10.6
135.11714	14.2
137.09654	13.9
137.13220	7.1
139.11218	25.9
141.09077	5.5
143.08571	5.6
147.11688	5.3
149.09619	3.4
151.11235	4.3
151.14816	5.5
153.12769	19.5
155.10672	28.2
157.06534	4.7
157.10170	5.3
157.12260	9.1
161.13293	10.0
162.11726	2.2
167.10684	7.8
169.12318	4.3
171.08043	3.3
171.11752	5.5
171.13809	3.8
173.09471	3.0
175.11301	2.4
179.14349	28.1
183.13777	12.3
185.09737	3.4
197.13583	5.8
197.15396	100.0
199.11241	5.5
209.15417	8.6
215.16470	14.8
217.12181	5.4
226.73856	2.4
227.16479	6.2
245.04402	3.3
245.11737	10.2
245.15424	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	245.1862
Annotation	NH-DVal(NMe)-Val-OMe
Peak:m/z	Relative Intensity
51.61951	0.3
55.05507	0.6
67.05515	0.8
68.62797	0.3
69.03429	0.6
69.07072	1.0
70.06590	0.6
70.48692	0.9
71.05000	2.5
79.05494	1.0
81.03426	0.4
81.07049	1.7
83.04998	0.6
84.08118	0.3
85.06577	0.3
86.09715	100.0
87.10018	0.6
91.05483	0.7
93.07050	0.7
95.04980	0.6
95.08617	0.5
97.06561	0.4
99.04505	0.3
105.07074	0.9
107.08624	0.9
109.10254	0.3
111.08044	0.3
115.55859	0.2
117.07066	0.4
119.08618	0.7
121.10164	0.4
128.06192	0.7
129.07027	0.7
131.08589	0.5
132.10223	3.1
141.06938	0.3
142.03302	0.3
143.08611	0.9
145.10130	0.7
147.08051	0.4
156.09358	0.4
157.10083	0.5
167.10748	0.5
171.11722	0.6
185.09647	0.5
185.13216	0.5
187.07719	0.3
199.11215	1.1
199.18089	1.2
203.10667	0.3
209.11742	0.4
227.10655	0.6
245.04370	1.4
245.08141	0.8
245.11925	1.2
245.15791	0.5
245.18628	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	245.1751
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25389	2.6
55.01873	14.4
55.05518	20.1
57.03443	5.8
57.07082	5.9
60.29383	2.6
64.51591	3.0
64.85125	3.4
65.03927	3.4
67.05515	26.8
69.03430	12.3
69.07085	26.9
71.05001	100.0
71.51307	4.6
72.08176	16.2
79.05506	18.1
81.03409	4.1
81.07066	44.5
83.04977	9.0
83.08603	10.4
85.06564	25.9
86.09714	36.4
87.04474	4.9
91.05493	20.5
93.06571	3.8
93.07059	43.9
95.04984	8.8
95.08619	50.9
97.06525	10.6
97.10167	9.9
99.04468	24.0
99.08078	8.4
105.07063	31.2
107.08612	59.6
109.06513	7.1
109.10157	20.9
111.04408	3.5
111.08094	7.2
113.06004	3.9
113.09631	3.6
115.05465	5.1
115.07555	9.9
117.07059	6.5
119.08627	16.9
121.10149	29.9
123.08066	11.7
123.11699	12.7
125.09649	23.3
127.07610	3.3
128.06189	7.2
129.07007	13.5
130.06540	8.6
131.08582	16.6
132.08098	39.0
133.10144	14.9
135.11714	16.4
137.13234	4.1
139.11205	23.2
141.07022	3.9
141.09091	9.6
142.06543	6.0
142.07768	8.9
143.08574	28.2
143.10680	23.8
144.36763	3.1
145.10130	13.2
146.11626	3.5
147.04420	4.4
147.08008	3.6
147.11757	19.7
149.09630	12.3
149.13268	8.0
151.11214	4.9
155.08597	5.3
156.09285	5.2
157.06462	4.5
157.07666	6.6
157.10143	18.2
158.08437	5.8
159.08185	4.6
159.09200	75.7
159.11696	5.6
160.07574	6.9
161.09680	6.0
163.14848	5.7
165.12767	7.8
167.06029	4.0
167.10730	15.7
169.12268	7.4
171.08057	7.6
171.11723	10.3
173.13284	8.0
175.07521	3.1
181.10213	3.3
183.13843	27.9
184.07582	10.1
185.05957	3.2
185.07196	29.7
185.10077	5.2
185.11745	47.4
185.13292	16.3
191.14334	5.3
193.29018	3.1
199.07507	4.2
199.11163	12.1
199.14856	7.6
200.07027	8.6
201.10323	7.4
201.14853	6.7
203.10689	4.5
209.13579	3.9
209.15370	23.0
217.08728	3.3
217.12170	4.8
227.08131	24.9
227.10547	5.5
227.14404	3.7
227.16417	44.7
245.04428	8.0
245.09250	17.4
245.11807	18.4
245.15215	14.8
245.17227	15.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1751
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25389	2.6
55.01873	14.4
55.05518	20.1
57.03443	5.8
57.07082	5.9
60.29383	2.6
64.51591	3.0
64.85125	3.4
65.03927	3.4
67.05515	26.8
69.03430	12.3
69.07085	26.9
71.05001	100.0
71.51307	4.6
72.08176	16.2
79.05506	18.1
81.03409	4.1
81.07066	44.5
83.04977	9.0
83.08603	10.4
85.06564	25.9
86.09714	36.4
87.04474	4.9
91.05493	20.5
93.06571	3.8
93.07059	43.9
95.04984	8.8
95.08619	50.9
97.06525	10.6
97.10167	9.9
99.04468	24.0
99.08078	8.4
105.07063	31.2
107.08612	59.6
109.06513	7.1
109.10157	20.9
111.04408	3.5
111.08094	7.2
113.06004	3.9
113.09631	3.6
115.05465	5.1
115.07555	9.9
117.07059	6.5
119.08627	16.9
121.10149	29.9
123.08066	11.7
123.11699	12.7
125.09649	23.3
127.07610	3.3
128.06189	7.2
129.07007	13.5
130.06540	8.6
131.08582	16.6
132.08098	39.0
133.10144	14.9
135.11714	16.4
137.13234	4.1
139.11205	23.2
141.07022	3.9
141.09091	9.6
142.06543	6.0
142.07768	8.9
143.08574	28.2
143.10680	23.8
144.36763	3.1
145.10130	13.2
146.11626	3.5
147.04420	4.4
147.08008	3.6
147.11757	19.7
149.09630	12.3
149.13268	8.0
151.11214	4.9
155.08597	5.3
156.09285	5.2
157.06462	4.5
157.07666	6.6
157.10143	18.2
158.08437	5.8
159.08185	4.6
159.09200	75.7
159.11696	5.6
160.07574	6.9
161.09680	6.0
163.14848	5.7
165.12767	7.8
167.06029	4.0
167.10730	15.7
169.12268	7.4
171.08057	7.6
171.11723	10.3
173.13284	8.0
175.07521	3.1
181.10213	3.3
183.13843	27.9
184.07582	10.1
185.05957	3.2
185.07196	29.7
185.10077	5.2
185.11745	47.4
185.13292	16.3
191.14334	5.3
193.29018	3.1
199.07507	4.2
199.11163	12.1
199.14856	7.6
200.07027	8.6
201.10323	7.4
201.14853	6.7
203.10689	4.5
209.13579	3.9
209.15370	23.0
217.08728	3.3
217.12170	4.8
227.08131	24.9
227.10547	5.5
227.14404	3.7
227.16417	44.7
245.04428	8.0
245.09250	17.4
245.11807	18.4
245.15215	14.8
245.17227	15.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1595
Annotation	[1R-(1alpha,2beta,3beta)]-3-Hydroxy-2-(hydroxymethyl)-3-methyl-gamma-methylene-cyclopentanebutanoic acid methyl ester
Peak:m/z	Relative Intensity
55.01884	12.0
55.05519	12.6
57.03439	2.2
57.07060	2.7
59.05005	3.4
65.03956	2.3
67.05507	17.0
67.95287	2.2
69.03419	5.9
69.07079	16.2
69.34317	18.9
71.04992	6.4
78.01903	2.3
79.05492	12.8
81.07064	50.2
83.04984	5.3
83.08607	8.7
85.02894	3.0
85.06561	6.4
87.96214	2.1
91.05495	16.3
93.06487	4.1
93.07058	74.4
95.05007	15.3
95.08634	16.6
97.06540	21.2
97.10167	4.2
98.21512	2.8
99.08102	5.9
105.07050	22.5
107.08618	35.0
107.82249	2.3
109.06532	18.2
109.10189	10.6
111.08095	28.2
111.09335	2.3
115.05450	2.5
117.07037	3.0
119.08603	16.3
121.06525	4.6
121.10147	5.8
123.08048	5.3
123.11716	38.1
125.09650	7.8
129.07013	2.9
131.08553	3.5
133.10124	4.8
135.08078	18.0
135.08960	3.1
137.09630	2.7
137.13258	7.3
138.04224	2.3
141.06987	3.4
143.08597	3.7
145.10143	7.8
147.11691	37.8
151.07562	3.3
153.09048	2.7
155.08574	4.7
157.10141	3.0
159.11705	4.5
161.13263	7.8
165.07133	2.2
165.12781	39.7
169.08578	11.2
169.10013	4.2
171.11719	5.1
177.76906	2.3
179.14322	2.4
183.13835	100.0
185.05966	2.7
187.14830	2.2
189.12788	10.2
197.05962	2.3
197.09549	2.4
197.13297	3.3
207.13824	32.4
225.09036	3.2
225.14839	29.2
243.06604	5.6
243.10120	15.0
243.13823	4.8
243.17418	6.7
243.21155	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	245.0924
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01020	0.4
54.48431	0.4
55.05494	0.4
68.99793	0.7
70.50390	0.3
71.24862	0.8
72.08154	2.0
81.07066	0.4
86.09705	1.9
87.00816	1.5
91.05495	0.6
95.04939	0.4
99.39712	0.4
115.05481	4.3
117.05769	4.9
118.06573	3.1
128.06213	0.6
129.07002	2.8
130.06534	11.0
132.08104	57.6
133.08421	0.5
140.04936	1.1
142.06548	8.8
143.07285	0.4
145.10222	0.8
146.11774	0.6
154.06529	1.0
156.06915	0.9
156.08105	4.5
156.09332	0.7
157.07614	8.0
157.10115	0.7
158.06055	1.2
158.08409	7.3
159.09192	100.0
160.07605	7.4
160.09515	1.5
167.06061	4.8
170.06038	2.7
171.06790	0.7
171.09302	0.7
172.07567	1.0
181.07672	2.3
182.06026	1.2
183.09235	2.1
184.07591	15.9
185.07121	47.6
185.13222	0.8
186.07466	0.7
199.08719	2.8
200.07076	7.9
201.10245	12.8
209.07147	1.8
227.08171	39.6
228.08716	0.6
245.09271	20.3
245.11646	1.0
245.15430	0.7
246.09412	0.5
267.96048	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1229
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	9.6
55.01861	5.2
55.05514	13.0
56.43501	1.3
57.03441	23.8
61.02929	2.0
61.52566	1.5
65.03926	2.2
65.74912	1.1
67.05507	9.7
68.99784	2.0
69.03436	52.0
69.07068	15.1
70.08352	5.7
71.01340	3.1
71.05003	12.5
72.08147	1.5
73.02907	5.7
75.04487	1.3
76.61456	1.5
77.59322	1.8
79.05498	32.6
81.02994	2.1
81.03428	27.2
81.07064	100.0
83.04987	15.1
83.08585	2.3
84.04482	1.7
85.02916	32.7
85.06552	1.8
86.09711	3.8
87.04459	2.8
91.05492	10.3
92.86619	1.5
93.07059	10.9
95.04979	15.4
95.08613	13.6
97.02904	18.6
97.06539	7.8
98.97575	2.8
99.04457	12.2
99.08099	13.8
103.03952	1.7
105.07033	9.5
107.04946	3.8
107.08606	11.6
108.25529	1.4
109.02900	11.9
109.06547	10.3
109.10167	6.5
111.04440	4.5
111.08073	6.1
113.62138	1.5
114.11076	1.5
115.03915	3.0
117.07004	2.5
119.08577	8.1
121.06490	3.8
121.10139	5.2
123.04433	2.5
123.08070	11.9
125.06029	2.4
125.09630	2.9
127.03924	23.6
129.05504	7.5
131.08574	4.2
133.06584	2.0
133.10120	3.8
135.08061	2.6
135.11720	1.4
137.09621	6.7
139.07614	2.4
141.05460	4.2
143.08575	3.4
145.04955	6.7
145.10109	2.6
147.08009	4.4
147.11687	3.5
149.02333	5.4
149.09642	3.5
151.03946	1.4
151.07520	1.7
153.07062	1.8
153.09129	3.7
161.09631	3.5
161.13257	3.7
162.96989	1.3
165.09097	3.6
169.04947	9.1
169.06380	3.2
169.12297	1.6
179.10689	2.0
179.14317	2.4
185.11702	1.8
189.09155	1.5
189.12688	3.3
197.06071	2.0
207.10207	3.6
207.13776	4.1
215.07019	5.9
225.11194	2.8
225.14806	2.7
243.06535	2.3
243.10040	3.0
243.12271	6.4
243.15845	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	241.1549
Annotation	Pirbuterol
Peak:m/z	Relative Intensity
53.03940	0.2
55.01861	0.4
55.05496	0.8
56.96569	3.4
57.03421	0.2
58.06605	18.2
60.27455	0.3
61.02944	0.4
69.03419	0.9
70.06596	3.5
70.94746	0.3
70.95078	0.4
71.01328	0.4
71.04982	0.3
72.08152	0.5
73.02927	0.5
73.06545	0.9
81.03410	0.9
83.04988	0.3
84.04518	0.4
84.08147	9.4
84.96006	0.4
85.02886	1.1
85.06541	0.5
87.04485	0.3
97.02885	0.8
97.96780	0.2
98.06048	0.3
98.09696	1.5
98.97594	6.2
99.04448	0.4
99.47799	0.2
100.11266	0.6
101.00894	0.4
110.07187	0.3
110.97565	0.9
112.96780	0.2
113.02345	0.3
114.05534	0.4
116.07070	0.2
116.10695	0.3
116.98646	1.4
119.01869	0.7
122.01321	0.2
124.07596	0.3
126.05524	0.3
127.03879	0.4
128.10725	4.1
128.98621	0.6
134.99646	0.2
136.07625	0.2
144.10248	1.1
145.01608	0.4
146.04143	0.5
147.03246	0.4
147.05736	0.6
152.10677	0.3
155.00040	0.2
155.04663	6.1
155.53639	0.2
155.54837	0.5
156.07747	0.4
158.99652	1.4
160.06598	0.3
161.03078	0.3
163.02840	0.3
164.05211	1.2
166.55423	0.3
168.10167	1.1
168.98080	0.2
170.99706	0.4
173.06609	0.2
177.00716	0.3
189.00781	0.3
196.09695	6.2
199.00888	0.2
200.30370	0.2
201.04155	0.4
210.04741	0.3
213.15999	0.5
217.00192	0.7
219.01736	0.5
223.13632	0.3
237.02855	0.3
241.15486	100.0
242.15826	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1435
Annotation	5OH-HIP
Peak:m/z	Relative Intensity
53.03944	8.6
55.01871	6.2
55.05502	11.8
57.03440	4.4
57.07064	5.3
59.05008	6.8
64.80537	2.3
67.05515	20.7
69.03432	22.5
69.07082	12.7
69.38982	18.1
70.06598	4.7
71.04992	7.6
72.08158	7.0
73.02918	2.7
79.05488	15.6
81.03411	7.3
81.07050	11.9
83.04987	22.6
83.08630	4.9
84.08143	3.6
85.02904	8.4
85.06545	6.5
86.09715	3.4
91.05485	37.4
93.06480	5.9
93.07050	78.8
94.02936	6.4
94.06573	3.2
95.01347	18.5
95.04954	19.7
95.08597	15.8
97.02887	6.2
97.06537	16.1
98.21474	6.2
98.97558	3.9
99.04472	6.6
102.05556	4.2
102.42188	2.6
103.05501	4.6
105.07038	21.1
107.04963	6.9
107.08582	19.0
109.02838	5.5
109.06552	16.1
109.10145	11.3
111.04452	6.8
111.08092	10.9
113.06044	4.4
114.09161	3.8
117.07027	7.4
119.08591	21.7
121.06514	100.0
121.07388	5.6
121.10165	21.6
123.08073	17.6
125.05978	4.2
125.09625	7.1
127.07572	6.6
129.06938	2.9
131.08583	9.7
133.10118	9.5
135.08064	14.8
135.11699	10.3
137.05977	7.6
137.09552	12.6
139.07562	15.9
143.08589	2.8
145.06540	3.1
145.10118	8.6
147.08028	5.3
148.05217	9.0
149.05994	9.9
149.09671	16.4
151.03929	4.7
151.07536	6.1
151.11163	3.5
153.06937	3.0
153.09116	8.4
154.06270	5.2
157.08601	6.6
159.11705	25.5
161.09695	4.3
163.07576	6.5
163.11185	12.9
164.08302	3.3
165.05507	4.8
165.09132	8.0
165.24409	3.0
166.07491	7.6
167.07080	14.5
175.11136	5.5
177.05510	14.2
177.09053	3.9
177.12741	12.2
179.03386	2.4
179.10687	10.1
180.07761	3.5
181.06392	4.1
181.06738	3.9
181.08620	73.4
181.10217	3.6
181.12209	5.1
187.11188	10.0
192.07838	33.6
193.12233	4.9
195.08192	3.0
195.10178	7.1
198.06726	2.8
205.08508	4.0
205.12268	24.9
206.10609	3.2
212.07056	4.0
221.07475	3.6
223.09383	14.7
223.13203	22.9
241.04976	5.5
241.08643	8.6
241.14244	16.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.155
Annotation	Unknow
Peak:m/z	Relative Intensity
54.96397	0.2
55.05500	0.8
56.05033	0.2
56.96556	0.8
57.03435	0.6
58.06608	18.6
61.02919	0.9
67.05485	0.2
69.03431	1.3
70.06608	3.3
70.25746	0.2
71.01341	0.4
71.04983	0.4
71.49959	0.3
72.08142	0.5
73.02920	0.6
79.05531	0.2
81.03423	1.1
82.99823	0.2
83.04993	0.2
84.08151	9.6
85.02906	1.3
85.06570	0.2
95.04970	0.3
97.02921	1.2
98.06089	0.3
98.09705	1.7
98.97614	2.0
99.04459	0.6
100.11253	0.4
101.00902	2.4
104.10763	0.5
109.02859	0.3
110.06044	0.2
110.97575	0.3
113.00855	0.5
113.02407	0.2
114.05533	0.4
115.02454	0.5
116.07116	0.4
116.10728	0.3
116.98622	0.5
119.01936	2.0
122.90612	0.2
124.61084	0.2
126.05537	0.7
126.09198	0.4
127.03900	0.3
128.10732	3.6
128.98619	0.3
129.03954	0.3
131.01906	0.6
131.05533	0.3
133.03473	0.3
139.02347	0.2
143.01939	1.0
144.02122	0.2
144.10211	1.6
145.03474	0.4
146.04987	0.2
147.05864	1.2
149.02943	0.3
155.01871	0.3
155.04686	0.6
157.03522	1.6
158.99643	0.4
160.04738	0.3
161.01523	0.2
161.02942	0.7
161.05574	0.5
163.51178	0.2
167.01903	0.2
168.10240	1.1
171.05075	0.3
173.02969	0.3
173.06665	0.3
175.04575	0.5
184.05801	0.3
185.02911	0.5
196.09705	5.3
199.00870	0.5
213.16014	0.5
217.00165	0.3
221.05060	0.3
223.06740	1.3
241.03276	1.3
241.15498	100.0
242.15898	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.1795
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65200	1.4
53.73468	1.8
55.05498	5.6
56.96546	2.3
57.07059	3.5
67.05507	23.5
69.07055	7.1
69.78909	1.7
71.04995	2.1
71.51874	2.1
73.04208	1.5
79.05498	8.4
81.07062	27.7
83.08632	2.6
89.06037	9.0
91.05480	6.7
93.07056	3.4
95.08600	6.1
99.25091	1.4
105.03385	2.4
105.07037	2.6
107.08622	1.9
109.10142	2.3
115.05467	3.3
117.07024	6.3
119.08596	4.4
128.06200	4.9
129.07011	29.5
131.08560	7.7
133.10150	3.8
141.07004	23.3
142.07756	5.3
143.08565	12.6
145.10147	3.9
154.07758	5.7
155.07407	2.4
155.08562	28.2
157.10152	15.6
159.11729	12.3
167.08559	5.0
168.09351	3.5
169.10136	25.4
171.11691	35.4
173.13245	5.0
181.10126	4.0
183.11699	43.4
185.13307	5.3
192.91132	3.5
194.11049	1.7
195.11769	1.8
196.12518	4.5
197.13275	39.6
198.14020	3.6
210.14104	2.3
211.14861	9.6
227.09839	1.5
239.08888	29.9
239.17969	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.2371
Annotation	Bombykol
Peak:m/z	Relative Intensity
53.00307	0.9
53.03954	1.1
55.05515	24.6
57.03425	0.4
57.07078	100.0
59.05017	0.4
65.03951	1.5
67.05506	52.0
69.07072	24.1
71.05009	0.9
71.08635	63.1
71.51720	0.4
79.05495	4.9
81.07059	57.2
82.07410	0.7
83.08621	29.7
85.06538	3.4
85.10184	28.5
89.06047	2.4
91.05527	0.4
93.07053	2.7
95.08610	76.8
96.08951	0.8
97.10172	10.5
99.08096	1.7
99.11749	0.7
105.42022	0.4
107.08577	0.8
109.10161	26.7
110.10546	0.4
111.11732	1.4
123.11726	7.8
125.13340	0.5
133.08583	1.2
137.13277	2.1
151.14857	0.7
165.16429	0.7
216.31041	0.5
239.08885	4.4
239.10973	0.7
239.18103	0.9
239.23665	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.2371
Annotation	Bombykol
Peak:m/z	Relative Intensity
53.00319	0.9
53.03944	1.2
55.05512	24.6
57.07077	100.0
63.55864	0.7
65.03936	2.0
67.05508	53.2
69.07072	26.2
71.04994	1.6
71.08633	64.0
71.51467	1.0
77.10901	0.7
79.05481	4.5
81.07059	54.2
83.08622	26.6
83.09127	1.1
85.06546	2.8
85.10186	30.4
89.06038	5.1
91.05481	1.0
92.67767	0.7
93.07043	2.9
95.04951	0.8
95.08611	71.9
96.02407	0.9
97.10176	14.0
99.04453	2.3
99.08105	1.9
99.11758	1.8
109.10159	26.7
111.11735	2.1
118.04364	0.8
123.11710	7.8
132.52228	0.9
137.13275	2.1
178.12227	0.9
197.13351	1.1
239.08844	6.5
239.10835	0.9
239.14357	1.8
239.18054	2.5
239.23718	2.1
240.12329	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.128
Annotation	3-[(3aS,4S,7aS)-7a-Methyl-1,5-dioxo-octahydro-1H-inden-4-yl]propanoate
Peak:m/z	Relative Intensity
51.88850	1.1
53.03947	1.5
55.01862	1.2
55.05516	4.9
57.03437	1.2
65.03947	1.5
67.05504	4.5
67.77135	1.0
69.03432	4.5
69.07082	4.7
70.79089	1.7
70.79421	1.4
71.05003	3.5
78.44413	1.0
78.48543	1.0
79.05496	4.9
81.07069	8.8
83.01368	1.6
83.04989	4.0
83.08629	1.5
85.02921	2.3
85.06557	1.9
91.05497	14.2
93.07053	10.8
95.04996	2.2
95.08617	5.7
97.06544	2.5
99.73341	1.2
103.05489	2.2
105.06413	1.3
105.07057	16.7
107.04956	1.7
107.08606	8.8
109.06537	3.6
109.10181	4.8
111.04466	1.8
111.08089	1.5
115.05476	2.6
116.06257	1.6
117.07079	5.4
119.04951	1.4
119.08599	28.2
121.06522	3.4
121.10168	21.9
123.08084	3.8
123.11720	1.5
129.07010	6.5
130.36459	1.0
131.08575	11.8
132.09309	1.2
133.06497	1.9
133.10164	9.7
135.08060	13.6
135.11688	1.6
137.06004	3.2
137.09637	3.8
139.07573	2.8
141.07004	2.3
142.07802	21.2
143.08562	2.4
144.09393	2.0
145.06491	5.5
145.10165	3.6
146.07263	2.3
147.04468	1.6
147.08049	4.6
147.11710	29.8
149.09641	13.3
151.07539	3.3
151.11212	3.1
152.08330	1.1
153.09169	2.0
157.10147	30.7
159.08073	13.5
159.11777	2.2
160.08871	16.1
161.09647	12.5
162.06793	8.8
163.07521	3.2
164.05707	1.3
165.09145	2.9
165.12804	1.8
175.11212	100.0
177.09129	36.9
179.07069	1.5
179.10704	8.7
182.75610	1.2
185.09630	5.0
188.08379	3.3
193.12263	20.7
203.10683	43.4
203.14340	3.3
221.11775	5.3
221.15335	8.8
234.89742	1.0
239.12839	5.4
239.16351	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	238.0711
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	0.6
53.03950	4.8
54.82855	0.2
55.34342	0.2
70.02950	0.9
70.76108	0.6
74.02465	1.6
75.20764	0.2
77.03927	1.8
79.05501	0.5
81.03417	0.6
88.03490	0.5
88.04002	7.2
95.04980	5.1
105.03400	100.0
105.04549	2.5
106.03734	1.0
116.03462	2.0
118.06548	0.4
122.06044	0.4
122.67165	0.2
123.04434	1.5
140.96884	0.3
146.06004	0.7
164.07155	0.4
174.05536	2.4
191.83900	0.3
192.06541	2.6
192.10292	0.3
220.06097	2.4
238.07246	0.8
238.10651	0.3
241.03993	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	238.0923
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98892	1.8
52.17837	2.0
53.03953	3.2
55.01881	2.5
55.05490	4.4
55.93535	1.9
56.96564	23.6
57.03423	6.5
58.99596	2.0
59.22609	1.8
59.69115	1.8
60.04522	3.1
61.02923	3.4
67.05479	2.8
68.32843	2.3
68.33207	2.1
69.03423	6.4
69.07063	3.6
70.06594	5.2
70.09085	4.3
70.09476	5.4
70.98113	2.2
71.04997	11.0
72.08147	6.6
73.02927	3.6
73.06557	2.6
79.05477	7.4
81.03409	6.2
81.07047	3.8
82.06586	2.2
83.05004	2.6
84.08140	8.5
84.96022	5.5
85.02920	10.1
86.09721	3.8
87.00837	43.2
87.04475	2.8
89.06037	20.6
91.05489	5.5
93.07053	2.8
95.04968	3.6
96.04502	2.0
97.02882	6.5
98.20715	2.0
98.97585	27.0
99.04461	26.6
100.07616	2.9
103.05476	4.4
105.01872	22.3
105.07032	5.1
106.06564	26.7
107.04935	7.1
108.04565	2.3
109.06563	2.2
110.06039	2.9
110.97594	5.1
111.04409	2.9
112.08604	1.8
116.07067	2.1
116.98608	8.0
117.05483	13.8
118.06529	4.6
119.03459	1.9
120.04414	2.6
120.08089	7.3
121.08442	9.8
122.06021	2.2
124.03946	4.9
125.06069	2.6
127.03910	5.8
128.98630	4.3
129.10249	3.4
132.04456	4.2
135.04416	5.6
136.07590	4.2
136.93140	3.0
139.03972	2.6
142.08687	2.4
146.06009	53.2
146.09628	17.5
147.82600	2.2
148.03946	8.0
150.05484	2.7
155.04729	2.3
157.05002	5.0
158.99715	4.9
162.05490	6.6
164.07057	13.0
164.10794	2.2
172.95248	4.0
174.05466	17.6
175.05983	8.4
176.10797	1.9
177.00664	2.7
178.08665	2.4
192.06561	62.5
192.08461	2.9
192.10118	16.9
201.00705	2.8
203.05518	100.0
215.02251	3.3
217.07278	8.0
219.01689	3.4
220.02489	3.0
220.09647	4.5
224.02290	2.3
226.07819	14.2
226.58026	3.0
233.03343	2.8
238.07043	7.3
238.10878	16.0
238.14709	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.185
Annotation	Godotol A
Peak:m/z	Relative Intensity
53.03933	4.9
55.01849	6.6
55.05513	25.5
57.03418	4.5
57.07067	9.7
59.04995	7.8
60.29620	3.0
65.34989	3.2
67.05209	3.6
67.05505	30.7
69.03431	24.5
69.07069	31.7
69.79060	17.3
70.49898	3.2
71.04994	36.6
79.05507	31.4
81.07062	100.0
83.04979	9.5
83.08585	7.5
85.02882	4.2
85.06524	11.2
91.05477	24.6
93.07046	70.2
95.04948	16.2
95.08610	66.0
97.06562	18.6
97.10154	7.1
98.97568	4.5
99.08083	18.1
105.07042	38.4
107.05006	3.9
107.08601	68.4
109.06538	19.1
109.10162	36.9
111.08057	10.9
113.09673	5.1
117.07031	4.6
119.08586	33.4
121.06503	6.2
121.09474	3.6
121.10163	46.1
123.08055	11.6
123.11716	21.9
125.09638	13.1
127.07546	6.8
127.11195	24.6
129.07011	4.5
129.26353	3.5
130.07768	4.5
131.08582	17.3
133.10139	42.2
135.08026	10.8
135.11687	59.4
137.09586	7.6
137.13260	5.5
139.07475	4.0
139.11165	10.0
143.10667	5.5
145.10127	33.7
147.11723	18.9
149.05919	4.0
149.09625	8.3
149.13245	13.2
151.11186	50.8
155.10638	8.8
159.11725	27.1
161.13281	10.0
163.11191	14.7
163.14937	3.8
165.12631	7.4
173.13281	8.8
175.14818	7.1
177.12752	7.1
177.16367	5.6
179.14455	4.9
191.10777	5.1
191.14296	7.3
191.17932	10.7
192.38254	3.5
201.16504	20.1
209.15747	3.0
219.13820	9.7
219.17444	41.6
235.33144	3.0
237.14705	16.2
237.18488	60.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1852
Annotation	Godotol A
Peak:m/z	Relative Intensity
52.37766	1.2
53.03956	2.9
53.64322	1.1
54.38018	1.2
55.01878	2.1
55.05515	20.9
57.03444	2.9
57.07082	6.0
59.04997	2.3
65.03941	1.3
65.40187	1.5
67.05512	25.9
69.03445	7.5
69.07076	23.1
71.05000	9.8
71.10641	2.8
79.05500	23.6
81.07066	100.0
83.04987	5.2
83.08614	6.3
84.29649	1.2
84.43533	1.2
85.06557	5.9
85.92800	1.3
91.05488	14.3
93.07053	34.4
95.04969	8.7
95.08618	53.6
97.06538	9.8
97.10184	6.5
99.08100	9.5
103.05463	1.8
104.41730	1.2
104.63021	1.4
105.07035	21.4
107.04962	3.9
107.08605	35.7
109.06536	9.2
109.09471	2.7
109.10168	31.9
111.04436	1.6
111.08089	5.5
111.11739	2.1
115.05502	1.6
117.07018	6.7
119.08596	16.0
121.06544	5.3
121.10158	32.0
123.08095	7.1
123.11729	10.9
125.06020	2.4
125.09650	4.9
127.07572	3.9
127.11178	6.6
129.07011	2.3
131.08591	9.5
133.09245	2.0
133.10159	18.7
135.08078	5.0
135.11697	14.6
137.05962	1.6
137.09647	5.3
137.13245	7.6
139.07568	1.8
139.11176	2.7
143.08633	1.4
143.10704	1.7
145.10152	13.3
147.11713	8.7
148.78746	1.3
149.09608	6.9
149.13280	9.0
151.11195	12.2
153.09174	3.3
157.10136	1.8
159.08122	2.8
159.11713	13.2
161.13260	9.1
163.07477	2.0
163.11188	10.2
163.14867	6.8
165.06993	2.3
166.07747	1.2
170.62146	1.4
173.13295	7.4
175.07683	1.5
175.14900	1.7
177.09175	1.5
177.12798	3.5
177.16408	6.8
179.14333	2.1
181.08623	1.6
181.10114	2.1
181.12259	3.7
189.16399	1.4
191.14378	4.1
191.17982	2.6
193.10287	2.1
195.11772	2.0
201.12804	3.3
201.16406	9.4
207.06477	2.2
211.78304	1.3
219.08182	1.9
219.10129	2.4
219.13879	5.7
219.17479	26.4
231.66118	1.3
237.07442	2.6
237.14771	10.4
237.18533	35.8
237.22099	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1852
Annotation	Sirenin
Peak:m/z	Relative Intensity
50.56589	2.1
53.03930	3.2
55.01879	2.3
55.05512	10.3
56.02194	1.8
57.03431	2.6
57.07072	4.0
59.04994	6.4
67.05514	16.9
69.03428	12.2
69.07081	10.4
69.33493	20.0
71.04993	22.3
79.05501	22.9
81.07064	100.0
83.04986	2.8
83.08625	3.0
85.06549	4.8
86.13979	1.9
91.05469	12.3
93.07044	19.8
94.71211	2.0
95.04977	5.2
95.08620	21.2
97.06520	7.1
97.10181	3.8
99.07513	2.8
99.08110	45.8
105.07029	21.6
107.08600	22.4
109.06540	17.8
109.10168	26.2
111.08069	3.5
117.07008	2.6
119.08582	14.6
121.10143	14.6
122.02229	2.5
123.08069	4.5
123.11730	12.6
125.09633	7.8
127.07567	18.3
127.11212	25.6
131.08557	6.0
133.10147	33.1
135.11723	5.4
137.13342	2.6
139.11223	2.3
143.10696	8.6
145.10159	10.4
147.11697	9.5
149.13220	6.0
151.11206	45.0
152.99951	2.5
155.10681	10.3
159.11690	8.7
161.13261	5.9
163.11189	3.0
165.12749	3.1
169.12157	3.1
173.13254	4.4
177.09132	4.7
177.12816	2.4
177.16347	3.3
187.32585	2.1
191.17961	3.0
201.16356	5.8
204.61444	2.2
219.17479	12.1
237.18544	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	237.1851
Annotation	Sirenin
Peak:m/z	Relative Intensity
53.03944	3.8
55.01881	2.9
55.05523	23.3
57.03446	5.6
57.07079	5.9
59.05009	8.9
64.90208	3.1
67.05512	32.0
69.03450	16.3
69.07082	22.6
70.72398	3.4
70.72734	6.0
71.05006	32.1
79.05506	29.2
81.07069	100.0
83.04987	12.0
83.08614	9.1
85.06544	8.3
89.39538	3.1
91.05493	27.0
93.07056	82.1
93.07642	4.7
95.04983	12.8
95.08057	5.3
95.08621	61.2
95.30951	2.7
97.02875	3.5
97.06525	9.7
97.10145	4.3
98.97590	6.0
99.08096	32.6
105.07047	71.6
105.40964	2.8
107.04955	4.5
107.08609	57.2
109.06538	20.5
109.10169	35.5
111.08078	11.2
111.11723	3.0
112.46513	2.6
113.06016	5.4
113.09626	4.7
117.07033	11.3
119.08599	29.3
121.06486	6.4
121.10150	37.7
123.08070	9.4
123.11718	32.6
125.09638	10.4
127.07581	12.9
127.11210	12.1
129.06999	4.4
131.04919	3.4
131.08585	23.7
133.10152	89.0
135.08051	8.5
135.11685	25.2
137.09622	9.1
139.11238	5.0
139.69214	2.9
145.10150	29.2
147.08096	3.3
147.11729	22.8
149.09673	7.2
149.13261	13.3
151.11206	65.1
153.09085	4.6
155.10724	6.9
159.08049	4.7
159.11708	26.7
161.13303	13.6
163.07576	4.6
163.11194	14.2
163.14807	4.1
165.12764	3.8
169.12309	4.4
173.13297	15.0
175.14885	6.7
177.12801	10.3
179.14368	3.6
181.12422	4.0
187.07481	4.2
191.14301	7.4
191.17992	4.4
201.12788	6.6
201.16402	30.0
219.10243	6.1
219.13847	10.8
219.17451	57.5
219.19395	5.3
237.11208	5.7
237.14879	16.7
237.18527	76.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1488
Annotation	Norsecoswartzianin
Peak:m/z	Relative Intensity
53.03937	2.7
54.18192	1.0
55.01882	9.0
55.05276	1.1
55.05516	14.9
57.03435	5.7
57.07063	3.0
63.49143	0.9
65.03931	4.4
67.01861	1.7
67.05511	46.1
67.63242	0.9
69.03436	65.5
69.07073	14.2
69.93170	5.5
71.01360	1.2
71.04998	5.5
73.02922	18.7
73.32298	0.9
77.03954	1.7
79.05497	39.4
81.03417	2.0
81.07065	91.8
83.01340	3.6
83.04991	26.0
83.08613	4.5
83.26746	1.0
85.02917	8.6
85.06522	3.0
91.05487	53.7
92.86942	1.2
93.07052	66.5
95.04986	11.8
95.08616	59.3
97.02880	4.3
97.06543	13.8
97.10173	3.1
99.04449	1.8
101.02383	2.8
103.05445	3.3
105.04483	2.3
105.07040	81.3
106.07318	1.3
107.04935	4.1
107.08601	51.9
108.25323	0.9
109.06526	22.3
109.10162	31.8
111.04453	12.7
111.08064	3.7
113.02381	47.0
113.06007	2.3
115.03941	57.5
115.05448	4.0
116.06226	1.3
117.07023	28.6
119.08589	61.2
120.08981	0.9
121.06507	7.9
121.10154	23.2
123.04406	3.6
123.08074	7.8
123.11722	10.0
125.06004	7.2
125.09636	1.6
127.03915	3.8
127.07589	1.1
128.06221	1.4
129.05498	30.5
129.06978	9.2
130.07788	4.3
131.04944	1.4
131.08583	64.7
132.08939	1.5
133.06499	2.3
133.10144	29.1
134.10886	3.4
135.08034	4.6
135.11678	7.8
137.05983	4.3
137.09636	5.2
139.07504	3.0
141.05463	2.7
141.06956	3.0
142.07785	2.7
143.07072	5.3
143.08556	9.4
144.09344	3.9
145.06461	3.9
145.10136	63.1
147.08028	2.6
147.11703	90.2
148.11934	1.3
149.05989	3.3
149.09595	4.6
149.13269	23.9
151.07504	1.5
151.11191	1.5
155.07027	11.4
155.08521	5.0
156.09222	1.1
157.08740	1.8
157.10124	10.2
158.07285	2.1
158.10919	9.0
159.08066	10.5
159.11713	30.4
161.09622	3.2
161.13274	8.7
163.07533	3.6
163.11188	1.9
163.14896	6.0
167.03371	1.2
167.07013	1.2
167.08543	1.4
168.09373	3.0
169.08594	3.0
171.11696	5.3
173.09813	5.8
173.13275	91.7
175.11182	1.5
175.14856	3.3
177.09123	2.9
177.12750	7.7
177.16347	1.3
178.07736	1.6
181.08650	2.2
181.10109	2.3
183.10416	1.1
183.11737	9.8
189.12733	4.8
191.08702	1.5
191.10602	1.8
191.14319	12.8
201.12772	30.2
201.16370	1.7
207.13741	1.8
219.13829	45.1
219.17296	2.5
219.33960	1.0
228.12958	1.1
237.14862	100.0
237.18216	4.9
238.15157	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	235.1695
Annotation	Axinysone A
Peak:m/z	Relative Intensity
53.03936	1.5
55.01852	1.1
55.05519	11.3
57.07079	8.3
59.04998	1.0
64.20025	1.2
67.05196	1.0
67.05511	12.5
69.03414	3.4
69.07076	14.2
70.06079	2.3
70.06475	2.1
71.04993	4.0
79.05504	8.0
81.03423	1.5
81.06598	1.3
81.07066	22.0
83.04973	2.7
83.08625	10.9
85.06549	2.3
87.04436	1.1
91.05489	16.3
91.85638	1.0
93.03421	0.9
93.07053	24.2
95.04974	3.6
95.08076	1.6
95.08624	20.7
97.06516	3.9
97.10162	3.6
98.97594	2.6
99.08086	1.8
105.07041	26.4
107.05011	1.8
107.08606	27.6
109.06526	5.8
109.10168	15.1
111.08088	4.2
111.11720	1.6
113.06013	6.2
115.05419	1.3
117.07022	4.0
118.07843	1.1
119.08595	29.3
121.06528	3.1
121.10156	13.4
123.08075	10.3
123.11745	4.7
125.05990	4.2
125.09617	3.5
127.07527	1.6
128.06277	1.2
129.06989	2.4
131.08566	4.1
133.06497	5.6
133.10133	23.9
135.08067	3.6
135.10709	1.9
135.11714	29.3
137.06052	1.1
137.09619	6.3
139.07571	1.2
139.11226	1.5
141.06944	1.1
141.09106	2.6
142.07805	2.4
142.16286	1.1
143.08569	3.2
144.09315	1.0
145.06528	1.8
145.10156	3.9
147.08047	7.1
147.10690	1.3
147.11722	14.8
149.09608	4.7
149.13258	2.9
151.07549	5.1
151.11188	3.6
153.09084	2.3
155.74832	1.0
156.09357	2.2
157.10130	7.2
158.10931	1.4
159.08099	1.4
159.11722	7.0
161.09645	7.6
161.13278	12.2
163.11180	8.3
165.09113	6.4
171.11755	4.7
173.13281	4.0
175.11209	9.5
175.14778	5.4
177.12772	12.3
179.10686	9.8
184.12337	1.3
187.14821	1.2
189.12773	14.9
189.16400	35.9
191.14359	3.2
193.12251	5.2
199.14848	11.2
202.13509	1.2
207.08107	1.1
207.13821	6.3
207.17506	1.8
217.12260	3.5
217.15898	39.1
235.07668	1.4
235.09639	2.5
235.13196	2.9
235.16951	100.0
236.17130	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1486
Annotation	Norsecoswartzianin
Peak:m/z	Relative Intensity
53.03930	3.7
55.01879	10.3
55.05517	22.2
57.03428	8.6
57.07069	7.5
59.04976	2.5
63.05104	2.0
67.01864	3.0
67.05507	54.5
69.03091	2.6
69.03432	39.6
69.07077	30.3
71.04987	8.7
71.08587	6.8
73.02898	5.8
77.03889	2.6
79.05074	2.8
79.05498	34.2
81.03410	3.6
81.06596	4.6
81.07060	89.5
83.04990	18.6
83.08602	8.7
84.02941	2.2
85.02866	4.7
85.06536	10.8
91.05482	35.9
93.07047	73.7
95.04972	18.4
95.08612	100.0
97.02901	11.2
97.06538	12.2
97.10156	6.0
99.04443	6.1
99.08108	5.1
103.05457	5.2
105.07031	70.5
107.04951	6.6
107.08600	56.7
109.06541	18.2
109.10162	42.5
111.04457	9.9
111.08085	13.7
113.02377	24.5
113.09679	4.8
115.03191	2.1
115.03950	29.8
115.05458	4.2
117.07012	25.0
119.08578	51.0
121.06535	10.6
121.09328	3.7
121.10153	50.1
123.04430	5.9
123.08076	26.3
123.11711	23.4
125.05981	6.8
125.09634	5.1
127.11292	2.6
129.05470	8.5
129.06964	9.8
130.07796	4.1
131.04918	8.5
131.08578	42.4
133.06436	5.6
133.10124	31.9
135.08060	14.7
135.11711	20.2
137.05960	7.6
137.09589	7.9
137.13097	2.4
139.07495	4.0
139.11203	2.7
141.05524	2.7
141.09087	7.6
142.07803	3.0
143.07028	3.0
143.08534	4.6
144.09355	3.9
145.06458	2.8
145.10129	47.7
147.08047	4.6
147.11699	64.1
149.05914	2.4
149.09598	10.6
149.13257	18.4
151.07526	4.3
151.11147	10.4
153.09094	3.7
154.22758	1.9
155.06992	11.4
155.08449	3.7
157.10153	6.3
158.10970	4.7
159.08058	7.4
159.10649	2.7
159.11714	29.0
161.09671	4.8
161.13242	14.3
163.07568	7.5
163.11165	19.4
163.14807	6.8
165.09097	2.3
165.12744	3.1
167.10759	2.1
168.09267	2.4
169.08603	2.8
171.11792	2.6
173.09634	3.9
173.13278	49.9
175.11147	6.7
175.14841	9.7
177.09137	4.6
177.12735	12.4
177.16423	10.9
179.08617	2.9
179.10574	2.7
179.14319	5.1
181.08598	6.3
181.12231	5.5
183.11681	6.2
189.12775	8.1
191.08615	3.6
191.14288	8.4
191.17932	4.5
195.10150	3.6
201.12738	12.4
201.16412	13.0
207.06618	2.9
207.13846	6.5
209.13414	2.2
219.10434	4.1
219.13823	86.3
219.17308	25.3
235.67722	2.4
237.09174	5.8
237.14853	91.0
237.18494	47.4
237.22139	3.4
238.32509	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	235.133
Annotation	Isorupestonic acid
Peak:m/z	Relative Intensity
53.03944	5.5
55.01877	9.4
55.05518	20.4
56.05849	1.4
56.96562	3.8
57.03422	2.8
57.07081	19.6
59.04989	5.7
59.53491	1.7
65.03952	4.0
67.05507	24.7
68.99816	2.0
69.03436	9.8
69.07073	22.1
71.01366	1.8
71.04987	10.6
71.52042	2.4
75.17055	1.5
79.05074	2.1
79.05503	33.8
81.03413	4.6
81.06590	3.1
81.07059	53.2
83.04994	9.6
83.05393	1.6
83.08640	9.0
85.02895	3.2
85.06540	4.7
91.05486	45.2
93.07050	51.2
95.04985	17.4
95.08053	3.0
95.08611	30.5
97.02869	3.7
97.06526	18.5
97.10173	3.9
98.97623	8.0
99.04449	1.8
101.06038	1.6
103.05473	3.9
105.07040	68.3
107.04949	15.7
107.07876	3.2
107.08601	45.5
109.06524	26.7
109.10163	17.9
111.08065	5.0
113.06036	7.3
115.05463	9.7
116.06264	2.9
116.98648	2.2
117.07028	18.9
119.04929	5.5
119.05998	1.7
119.08595	86.3
119.21390	1.6
121.06521	44.5
121.10160	17.1
123.04446	7.4
123.08076	12.6
123.11697	5.4
125.02319	2.1
125.05986	2.3
127.07539	6.9
128.06201	9.2
129.07008	23.0
130.07733	1.8
131.04915	2.4
131.08572	24.9
132.05659	2.5
133.06480	11.6
133.10138	41.8
135.04411	5.6
135.08061	18.0
135.11717	19.6
137.05954	5.6
137.09599	9.4
137.13219	2.3
139.07533	6.3
141.06970	4.4
142.07816	8.6
143.08554	22.4
145.06493	12.2
145.10120	14.8
146.07249	1.9
147.04411	2.6
147.08057	56.8
147.10664	3.2
147.11700	28.4
149.06058	2.4
149.09636	11.9
149.13281	4.2
151.03870	3.5
151.07561	8.2
151.11201	2.3
153.09103	2.8
155.06053	2.1
155.08563	3.0
156.09334	13.1
157.06506	13.8
157.10130	22.1
159.08035	10.1
159.11690	13.1
160.05170	3.0
160.08821	4.3
161.05988	5.1
161.09639	17.8
161.13277	31.7
163.03874	9.0
163.07567	16.3
163.11191	5.5
163.14798	2.1
165.07063	2.4
165.09123	25.7
165.12796	8.3
167.06955	2.1
167.10631	2.5
171.08102	2.5
171.11723	29.1
173.06000	8.9
173.09631	4.0
173.13272	7.0
174.10371	4.9
175.07567	24.6
175.11208	25.9
175.14793	9.8
177.09155	7.5
177.12755	5.5
179.07092	8.8
179.08411	1.9
179.10689	18.3
179.14305	2.0
181.10179	3.6
184.08812	2.2
187.07535	3.7
187.11223	1.9
187.14870	2.2
189.09067	3.1
189.12770	78.5
189.16382	19.7
190.06268	4.5
191.06937	1.9
191.10738	2.1
191.14311	4.7
193.08635	19.0
193.12297	4.9
199.11200	29.7
199.14819	8.9
203.06999	3.3
205.08563	4.1
207.10187	2.6
207.13794	21.5
207.17445	2.3
215.10811	1.8
217.08838	3.0
217.12268	78.9
217.15779	32.5
235.07629	2.7
235.09778	9.2
235.13281	87.4
235.16943	100.0
235.20712	3.8
247.06279	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.0968
Annotation	Swerilactone M
Peak:m/z	Relative Intensity
50.86281	0.7
51.33847	0.7
53.03954	0.7
55.01873	1.4
55.05505	1.4
57.03419	0.8
57.07080	8.7
57.20879	0.7
58.96127	1.1
65.03918	1.0
67.05520	3.5
69.07088	1.2
70.84078	1.4
79.05502	5.2
81.07075	3.8
91.05494	13.2
93.07041	8.3
95.04953	2.4
95.08629	3.8
103.05466	1.5
105.07043	6.9
107.04949	1.4
107.08585	3.0
109.06522	1.4
109.10168	1.2
115.05468	5.5
116.06250	4.9
117.07039	3.7
119.04910	1.7
119.08600	5.7
121.06494	1.1
121.10130	3.5
123.04508	1.0
123.08084	0.8
123.11629	0.8
124.39517	0.7
128.06233	13.7
129.07014	29.8
130.04173	0.9
131.04958	2.4
131.08571	9.1
132.05701	0.8
133.06467	2.1
133.10115	4.7
134.24141	0.7
135.08083	1.2
135.11630	0.8
135.15448	0.7
137.09627	1.0
139.05429	1.6
139.07568	0.7
141.06985	4.1
143.04970	1.3
143.08574	1.6
144.05721	10.2
145.06508	13.3
145.10165	0.8
146.03673	1.1
146.07283	2.2
147.04439	3.5
147.08075	7.2
147.11639	1.7
153.05510	2.2
153.07013	1.2
155.04942	0.9
155.06073	3.4
156.05713	3.1
157.06509	22.2
159.04411	2.4
159.08070	22.9
159.11746	1.5
160.05237	1.4
161.05991	6.5
161.09579	2.8
161.13264	5.0
167.04921	1.0
169.06461	1.6
169.07733	1.3
171.08047	7.9
171.11661	1.1
172.05199	1.7
173.04645	1.1
173.06012	14.4
174.06821	5.9
175.07571	15.2
175.11209	1.6
175.14845	1.5
175.21851	0.8
176.04669	1.1
177.05490	1.4
178.07755	0.9
179.07050	1.6
179.10686	7.2
184.05180	1.0
185.05989	4.5
187.07568	49.3
188.07928	1.4
189.05458	2.7
189.09143	2.8
189.12735	1.6
189.16376	2.6
190.06271	12.0
191.06976	2.8
193.08604	3.2
199.07578	11.2
202.06258	5.9
203.07039	1.9
204.07806	4.5
205.08615	6.8
207.06459	1.3
207.08347	1.3
207.10147	5.2
217.08617	15.8
217.15924	2.6
235.09666	100.0
235.16933	26.5
235.20529	1.2
236.09933	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	233.2264
Annotation	Aplotaxene
Peak:m/z	Relative Intensity
52.85376	0.6
53.03946	2.2
53.40120	0.7
54.41556	0.6
55.05516	14.1
57.07072	2.3
61.36428	0.7
63.45842	0.7
65.03948	2.4
65.07562	0.8
67.05510	94.1
69.07072	12.7
71.50743	1.5
79.05499	23.2
81.03419	0.7
81.07063	100.0
82.07388	0.8
83.08624	9.6
91.05482	5.5
93.07053	26.5
95.04992	2.5
95.08614	86.4
97.10197	3.8
105.07024	3.5
107.02394	0.7
107.08606	15.5
109.06527	0.8
109.10165	42.5
111.11740	1.2
117.07043	1.3
119.08626	1.9
121.06545	2.1
121.10152	27.0
123.11724	16.0
129.07024	0.8
131.08603	2.6
133.06494	0.8
133.10152	1.3
135.08099	1.7
135.11702	22.3
135.12723	1.2
137.13263	8.8
145.06458	1.0
145.10158	2.4
149.09624	1.6
149.13289	8.9
151.14793	4.8
159.08144	0.7
159.11748	1.1
163.07603	0.9
163.11273	0.8
163.14830	5.4
165.16466	0.9
177.05498	1.2
177.09148	0.7
177.16498	3.8
178.06261	1.2
187.11259	0.9
191.14374	1.1
191.18039	1.8
215.10947	0.9
215.14252	1.0
233.08200	2.6
233.11765	5.9
233.15488	4.7
233.19087	35.0
233.22647	75.2
234.19170	0.8
234.23152	2.1
253.38321	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.0815
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40023	1.4
54.55598	1.5
55.01863	3.1
55.05500	5.8
56.96556	2.9
57.03457	1.8
57.07082	37.6
59.04988	2.1
67.05492	7.1
69.03417	6.6
69.07054	4.6
71.04989	8.3
71.50907	2.6
71.51323	2.0
72.08159	15.7
72.93775	3.0
73.06551	7.3
73.71555	1.8
79.05486	5.8
81.03405	4.5
81.07070	8.6
83.04964	3.4
85.02890	2.5
85.06558	3.2
87.00792	2.3
89.10803	7.9
91.05489	17.7
93.07044	13.5
95.04954	5.1
95.08621	10.5
97.06488	3.3
98.97614	8.4
99.04456	4.8
103.03911	2.2
103.05443	3.7
103.07591	35.5
105.07044	17.7
107.04963	3.6
107.08620	10.0
109.06516	5.9
111.08073	5.3
115.04007	1.6
115.05435	4.9
116.98622	3.4
117.05504	11.5
117.06998	5.5
118.08638	2.9
119.04952	18.7
119.08604	14.9
120.08118	8.0
121.06501	5.5
121.10153	5.2
123.04415	4.7
123.08054	5.5
123.11684	2.1
125.05962	1.6
128.06192	4.0
128.98613	2.7
129.06981	6.6
130.06531	9.2
131.04921	2.0
131.08554	7.1
132.04442	3.1
132.95888	1.6
133.06499	4.8
133.10118	9.9
135.08067	4.7
135.11688	3.5
139.07530	2.9
142.07787	3.6
143.04927	3.7
143.08519	6.2
144.07990	1.5
145.06496	5.7
145.10107	7.2
146.07225	2.1
147.03236	2.9
147.04422	58.4
147.08046	7.5
147.11723	9.4
149.09639	2.5
155.06088	3.0
157.06447	5.0
157.07663	3.3
157.10156	4.7
158.06007	6.6
159.11713	5.1
161.05978	6.1
161.09700	4.6
161.13203	4.8
163.07545	2.8
171.11740	4.0
173.05974	5.9
175.07414	9.9
175.08832	9.4
175.11177	4.5
175.14801	4.1
177.08990	1.8
179.10669	23.2
187.07617	4.4
187.14789	1.8
188.64226	1.9
189.05431	4.5
189.09048	4.0
189.12744	6.0
189.16351	4.1
193.08606	2.1
199.11047	1.8
199.14885	4.6
207.06537	3.0
207.10176	3.2
208.65073	1.7
217.08408	2.7
217.10219	2.2
217.12271	5.4
217.15948	10.3
218.11711	4.1
234.98946	3.1
235.05997	4.9
235.09351	13.5
235.13428	6.8
235.14378	5.9
235.16924	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1537
Annotation	trans-Pentadec-10-en-6,8-diynoic acid
Peak:m/z	Relative Intensity
53.03958	2.7
54.66814	2.3
55.05497	8.9
57.03428	4.4
59.04990	4.2
60.73852	2.9
67.05509	12.9
68.83450	2.6
69.03415	9.2
69.07056	17.9
71.04979	10.2
79.05494	13.7
81.07060	22.3
83.04994	12.7
83.08603	4.3
85.02856	3.1
86.09701	3.4
91.05489	22.5
93.07055	26.3
95.04984	30.4
95.08595	19.1
97.06507	11.9
99.04413	4.4
103.05427	3.8
105.07036	41.8
107.04948	6.7
107.08595	30.6
109.06545	15.6
109.10149	11.0
111.04412	3.9
111.08059	3.2
115.05423	5.5
116.06252	3.6
117.07023	21.9
119.08585	41.0
121.06562	12.9
121.10144	15.5
123.08117	13.0
123.11696	4.0
125.05988	4.4
129.06973	11.9
130.07777	4.6
131.08583	40.7
133.06529	4.2
133.10146	22.6
135.08038	15.8
135.11705	5.9
137.09645	15.0
139.07538	4.2
141.06958	5.2
142.07785	6.0
143.08571	17.7
144.09334	5.9
145.06435	6.1
145.09070	4.8
145.10135	73.9
147.08067	12.6
147.11711	16.5
149.09650	12.3
153.09064	3.9
155.08525	11.0
156.09390	6.0
157.10159	18.7
158.10818	7.8
159.08076	15.9
159.11700	43.0
160.08809	3.5
160.12323	3.0
161.05898	3.3
161.09645	14.0
161.13248	4.7
163.07507	6.5
163.11133	8.9
167.08565	4.9
169.10094	9.7
171.11659	7.4
173.09636	19.5
173.13266	26.1
175.11186	22.2
177.09093	6.5
177.16451	3.2
182.10876	5.4
185.13136	4.0
187.10989	4.5
187.12396	5.7
187.14830	34.5
189.12718	12.3
191.10616	6.4
191.14281	8.5
197.13304	14.9
197.14799	2.7
203.14281	4.5
205.04852	2.5
205.08577	3.9
205.15910	10.9
215.14319	42.2
233.07976	6.0
233.12982	8.6
233.15337	100.0
234.18564	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	233.1537
Annotation	trans-Pentadec-10-en-6,8-diynoic acid
Peak:m/z	Relative Intensity
53.03943	2.5
55.01859	5.9
55.05505	6.7
57.07044	3.4
59.05008	3.4
67.05511	10.0
69.03432	4.5
69.07072	19.4
70.66294	3.7
71.05000	11.9
71.05307	2.4
79.05492	12.4
81.07056	19.1
83.04980	5.4
83.08611	3.3
83.21659	2.0
85.02911	19.0
85.06538	2.4
91.05476	40.3
93.07050	19.8
95.04954	7.5
95.08607	17.2
96.08120	2.2
97.06536	4.5
99.04499	2.6
103.05455	4.5
105.07036	49.2
107.04952	4.7
107.08609	23.4
109.06491	6.2
109.10134	7.7
111.08034	2.5
115.05436	7.0
116.06246	3.0
117.07023	23.2
119.08579	30.3
121.06548	9.6
121.10152	15.0
123.08056	3.3
125.09615	3.2
128.06227	8.3
129.07018	15.0
130.07745	5.6
131.08572	100.0
133.06485	16.1
133.10150	17.2
135.08032	7.6
135.11685	5.0
137.02214	2.0
137.06007	4.0
137.09641	2.5
141.06947	4.5
142.07739	8.4
143.08574	31.8
144.09344	4.2
145.06465	7.7
145.10124	80.8
147.08049	18.6
147.11722	12.6
149.05904	2.7
149.09654	4.0
149.13280	16.5
153.06975	2.7
154.07753	2.9
155.08540	15.7
157.10132	17.5
158.07288	4.5
158.10883	4.5
159.08069	11.4
159.11655	16.9
161.09628	6.1
161.13235	3.3
163.07487	4.5
163.11227	5.8
167.08556	4.0
169.10101	7.8
171.11676	6.0
172.08884	4.5
172.12463	3.2
173.09659	30.8
173.13271	49.8
174.30713	1.9
175.11147	7.3
177.09094	7.7
182.10893	7.7
185.13231	7.2
187.11122	6.0
187.14825	41.1
189.12738	3.1
191.10666	6.9
191.14326	4.7
197.13280	24.4
199.62329	2.1
203.14288	2.9
205.15887	7.1
215.14325	38.8
233.08104	2.1
233.11653	4.7
233.15340	56.5
234.18539	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	233.1537
Annotation	CHEBI:69963
Peak:m/z	Relative Intensity
53.01661	2.5
55.05505	12.2
55.29409	2.7
57.07069	6.2
58.86150	2.7
60.31498	2.8
67.05502	16.9
69.03432	7.6
69.07082	16.9
70.06062	12.1
71.04984	7.1
79.05508	14.7
81.07052	23.7
83.04983	17.0
91.05483	27.5
93.07050	28.7
95.04971	30.9
95.08614	16.0
97.06525	14.9
99.08056	3.3
105.07033	47.3
107.04962	4.3
107.08590	38.8
109.06535	20.8
109.10132	15.3
111.04441	4.3
111.08074	6.9
116.06190	3.2
117.07034	14.5
119.08595	42.0
121.06499	14.1
121.10149	27.0
122.07299	3.9
123.08076	15.0
125.05982	8.0
125.09608	5.0
128.06198	4.3
129.07007	7.3
130.07773	7.1
131.08548	32.3
133.06502	7.6
133.10155	27.0
135.08075	16.1
135.11685	8.9
137.09628	36.2
139.07568	4.2
142.07790	6.8
143.08533	15.2
144.09326	7.5
145.06500	3.1
145.10124	77.2
147.08051	11.0
147.11710	24.8
149.09633	17.3
151.11150	2.7
153.09113	6.1
155.08554	4.6
156.09319	6.5
157.10143	23.2
158.10893	8.6
159.07985	14.2
159.11713	45.3
161.09589	17.7
161.13216	5.7
163.11169	10.6
167.08635	2.8
169.10201	3.7
170.10956	4.0
171.11684	8.5
172.12450	8.8
173.09619	14.8
173.13278	21.5
174.13997	4.3
175.11191	28.9
177.09129	5.1
177.16321	2.6
182.11067	2.7
187.11217	4.3
187.14819	40.6
189.12755	10.0
191.10681	4.8
191.14342	7.9
197.13237	11.0
200.11850	3.0
203.14345	3.1
205.15903	14.6
215.14333	33.9
233.15373	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1538
Annotation	trans-Pentadec-10-en-6,8-diynoic acid
Peak:m/z	Relative Intensity
55.01868	3.3
55.05508	10.3
57.03421	2.6
57.07067	4.2
59.04988	3.5
61.57259	1.9
64.13138	2.1
65.67474	2.1
65.78714	2.0
67.05508	11.0
69.03422	8.3
69.07063	12.4
71.04991	6.5
72.08155	2.5
72.69933	2.0
77.65901	1.9
79.05503	14.5
81.07070	20.5
83.04991	12.7
83.08607	3.0
85.06541	4.3
91.05477	23.0
93.07053	27.7
95.04974	24.4
95.08584	17.2
97.06517	9.1
99.10117	2.0
103.05469	2.3
105.07030	36.7
107.04964	2.9
107.08591	29.1
109.06528	16.4
109.10162	11.1
111.04484	3.0
111.08071	6.1
117.07019	12.1
119.08602	34.7
121.06514	12.9
121.10141	17.1
122.07242	2.9
123.08070	11.1
123.11687	4.1
125.05986	4.2
125.09634	3.0
128.06219	3.3
129.07001	9.1
130.07780	4.0
131.08568	37.9
132.09222	2.0
133.06506	5.6
133.10126	17.3
135.08084	14.2
135.11678	7.8
137.09618	25.4
139.07664	2.3
141.06964	3.5
142.07776	5.9
143.08601	11.5
144.09351	5.1
145.06456	5.3
145.10130	60.8
147.08055	6.8
147.11700	18.3
149.09602	9.8
151.11214	3.0
153.09055	3.7
155.08539	5.8
156.09300	3.0
157.10147	16.9
158.10904	4.8
159.08105	11.3
159.11690	33.7
160.12262	2.3
160.66689	2.1
161.09647	12.0
161.13235	4.2
163.07547	5.2
163.11151	5.0
163.14767	2.3
167.08598	4.8
169.10164	5.0
170.10924	2.2
171.11717	8.9
172.12469	4.0
173.09685	15.9
173.13274	20.3
175.11203	20.9
177.09140	6.5
177.12801	2.4
177.16345	2.7
182.10991	5.8
185.13322	3.9
186.10347	2.5
187.11217	4.3
187.14812	37.8
189.12769	6.9
191.10759	5.6
191.14377	6.9
197.13339	12.0
203.14325	4.2
205.15919	6.3
215.10706	2.9
215.14342	32.9
233.08017	3.7
233.11801	4.0
233.15378	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1497
Annotation	H-Thr-Leu-OH
Peak:m/z	Relative Intensity
56.05038	17.6
56.96567	1.6
57.03439	2.5
58.06599	3.5
67.05508	0.6
68.88263	0.4
69.03425	1.1
69.07070	0.9
69.19566	4.0
72.08155	0.8
74.06082	100.0
81.07055	1.2
83.04984	0.4
84.04514	3.3
85.02923	0.7
85.06567	0.6
86.09708	24.2
91.05466	0.7
93.07072	0.5
97.02892	1.2
98.20761	0.6
98.97595	3.2
101.06036	0.6
101.07170	2.1
101.07756	0.4
102.05527	0.4
105.07059	1.0
110.97542	0.5
116.98628	0.8
119.08566	0.6
121.06522	1.3
123.08110	0.5
126.12897	0.4
131.08623	0.7
132.10211	18.8
133.06493	0.7
142.12286	1.0
143.11818	0.6
145.10164	1.0
147.08066	1.3
158.99664	0.7
159.08180	0.5
169.13376	1.3
177.12082	0.4
187.14430	11.7
197.13232	0.5
215.13943	3.5
219.01923	0.6
233.08253	0.7
233.14995	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	233.1538
Annotation	6,7-Dehydroartemisinic acid
Peak:m/z	Relative Intensity
55.05515	5.6
57.07084	1.7
59.06163	1.1
67.05508	12.7
67.89626	0.9
69.03413	1.0
69.07079	6.4
69.26531	10.4
79.05502	16.1
81.06593	1.6
81.07062	29.6
83.04983	1.1
83.08603	3.1
85.06506	1.0
91.05486	22.5
93.06486	1.7
93.07055	27.0
95.04948	3.3
95.08616	24.2
97.06526	1.9
97.10133	1.3
98.21477	2.1
99.04451	1.1
103.05500	1.2
103.12842	1.0
105.04523	1.8
105.07037	42.3
107.04957	3.5
107.08604	18.0
109.06525	1.9
109.10158	7.1
111.04543	1.3
111.08070	1.2
115.05429	2.2
116.06296	1.5
117.07019	8.6
119.08593	19.1
121.06512	5.0
121.10169	8.3
121.48679	1.0
123.08066	2.1
125.06015	3.1
129.07019	2.0
130.07764	2.8
131.07599	2.4
131.08578	44.1
133.06522	1.7
133.10146	13.2
134.10905	1.7
135.04422	1.3
135.08029	2.1
135.11678	2.0
137.06007	1.9
139.07527	3.5
142.07802	1.2
143.08528	5.6
144.09311	1.9
145.06444	3.0
145.10144	41.0
147.11676	9.5
149.05945	3.1
149.09677	1.3
149.13292	1.3
151.07564	2.9
154.07692	0.9
155.00922	1.1
155.07323	1.1
155.08556	3.3
156.09279	1.3
157.10118	2.9
158.10829	1.1
159.08076	6.7
159.11702	22.1
161.13269	12.6
163.07547	3.4
163.11162	1.7
169.10094	2.3
171.11694	2.4
172.12515	1.8
173.09579	5.8
173.13261	3.3
177.05492	3.2
177.09119	11.9
178.06273	3.8
182.10989	2.4
185.13239	1.2
187.11354	4.8
187.14833	100.0
188.15221	2.1
189.16402	1.5
191.07027	2.3
191.10657	3.5
191.14392	1.9
197.13283	9.2
205.15923	4.5
215.10741	1.1
215.14326	28.7
233.07947	6.3
233.11938	4.8
233.15379	54.3
233.19023	2.0
238.86685	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1174
Annotation	Mexicanin E
Peak:m/z	Relative Intensity
53.03943	5.7
55.01860	6.4
55.05497	4.8
65.03930	4.8
67.05508	17.9
68.99776	2.7
69.03431	13.2
69.07056	4.7
71.01306	1.7
71.05005	8.8
71.24783	2.7
71.25147	3.1
79.05497	18.8
81.03410	2.8
81.07066	19.1
83.04960	2.0
85.06530	5.6
85.46522	1.4
90.20731	1.5
91.05489	38.3
91.62774	1.6
93.07059	32.9
95.04976	17.5
95.08604	8.7
97.06518	5.7
97.19730	1.5
99.04463	15.4
103.05441	3.1
105.04527	1.6
105.07040	68.2
107.04970	10.8
107.08596	11.7
109.06530	8.8
109.10142	4.5
111.04433	2.6
115.03889	2.7
115.05416	6.6
116.06229	4.3
117.07028	30.4
119.04951	80.9
119.07804	2.4
119.08588	28.2
121.02836	2.5
121.06513	26.9
121.10102	6.0
123.08059	2.0
125.05962	3.8
128.06201	9.9
129.07011	15.3
130.07788	13.8
131.04898	4.4
131.05873	1.8
131.08585	41.4
131.16492	1.6
133.06477	8.3
133.10123	16.1
135.04362	3.3
135.08041	6.0
135.11690	2.5
137.05951	4.8
139.07510	2.1
141.07016	8.7
142.07768	2.8
143.08577	14.0
144.09349	12.3
145.06483	19.0
145.10133	100.0
146.07217	3.0
146.10481	1.7
147.08102	7.5
147.11685	8.7
149.05995	3.1
151.07516	3.4
153.06950	3.4
154.07774	11.8
155.08519	6.0
156.09276	2.8
157.10147	7.1
158.07277	13.5
159.08076	15.8
159.11708	63.3
160.12071	2.1
161.09593	5.9
161.13251	2.9
163.07513	5.6
163.11212	18.5
167.08601	2.2
169.10138	25.5
171.08066	4.7
171.11711	6.3
172.05237	1.7
172.08806	5.8
173.06026	2.9
173.09633	75.4
173.13206	5.6
174.10054	1.6
175.07484	8.1
175.11131	2.5
177.09099	3.6
177.12799	3.7
179.08578	5.0
182.07280	4.8
187.11194	91.8
187.14781	16.9
188.11449	2.4
189.09064	2.3
189.12727	5.9
191.07173	1.6
191.10609	10.1
197.09607	19.8
197.13261	2.2
205.08498	1.7
205.10298	2.5
205.12233	14.8
205.15851	2.1
215.08658	5.4
215.10664	83.3
215.14287	5.8
233.07896	3.7
233.09700	4.7
233.11725	58.2
233.15302	23.8
233.18948	2.2
233.22223	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	233.1174
Annotation	Mexicanin E
Peak:m/z	Relative Intensity
53.03946	4.9
55.01868	5.2
55.05506	7.2
65.03929	3.1
67.05515	18.2
69.03436	15.6
69.07052	3.1
71.04990	7.7
79.05132	1.6
79.05505	17.3
81.03432	3.0
81.07064	15.4
83.04975	2.6
85.02895	1.6
85.06541	4.1
91.05490	32.9
93.07059	26.1
95.04973	17.3
95.08628	8.6
97.06535	3.3
99.04453	13.8
103.05457	3.7
105.04541	2.1
105.07043	55.2
105.10979	1.6
107.04962	8.3
107.08628	13.1
109.06519	7.4
109.10143	3.2
111.08086	2.1
113.05996	2.0
115.05449	6.4
117.07029	33.3
119.04119	2.4
119.04957	37.4
119.08592	21.9
121.06518	24.4
121.10175	4.5
123.08042	2.5
125.05920	1.8
128.06230	8.2
129.07005	17.4
130.07803	11.0
131.04933	4.8
131.08582	39.4
133.06480	8.6
133.10120	16.5
135.04420	3.1
135.08073	7.2
135.11687	3.1
137.05959	3.3
137.09605	3.7
141.07001	11.8
142.07751	5.9
143.08583	18.5
144.05635	2.8
144.09363	9.9
145.06482	21.7
145.10138	100.0
146.07175	1.8
146.10626	1.6
147.08028	6.9
147.11641	8.7
149.05984	2.8
149.09613	3.8
153.06943	3.6
154.07768	9.9
155.06036	3.0
155.08623	9.0
156.09346	4.3
157.10129	6.3
158.07304	11.4
159.08069	16.7
159.11714	54.8
161.09634	5.5
161.13269	4.5
163.07530	4.2
163.11211	15.4
167.08615	2.8
169.10133	19.4
171.08110	3.6
171.11685	8.4
172.08810	5.4
173.05946	4.0
173.09639	89.0
173.13194	9.5
174.09991	2.0
175.07536	4.7
175.11165	4.8
177.05449	1.9
177.09119	3.3
177.12823	2.7
179.08565	4.9
182.07280	3.3
187.11208	79.3
187.14809	17.0
189.09184	2.7
189.12775	4.9
191.07111	1.7
191.10669	12.6
191.14183	1.9
192.07838	2.5
197.09602	15.4
197.13283	3.7
201.09116	6.3
205.08565	2.6
205.12250	11.6
215.10701	57.4
215.14174	11.5
228.90759	3.0
233.04495	1.6
233.08118	3.3
233.09801	2.1
233.11736	60.3
233.15331	30.3
233.17352	6.7
234.12027	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1175
Annotation	Mexicanin E
Peak:m/z	Relative Intensity
53.03938	2.9
53.32797	0.9
55.01865	3.4
55.05509	5.8
57.03441	2.3
57.07069	2.5
59.04996	1.6
65.03937	2.7
66.79731	0.8
67.05513	16.1
68.99785	1.3
69.03141	0.9
69.03440	10.5
69.07064	6.9
70.63603	2.6
71.05000	7.1
79.05505	20.2
81.03423	3.0
81.06586	1.4
81.07066	20.0
81.12335	0.9
83.05008	4.5
85.02885	1.2
85.06538	3.8
86.09760	1.3
91.05492	31.0
93.07056	26.0
94.95222	0.9
95.04987	12.6
95.08620	12.6
96.44426	1.0
97.02869	1.2
97.06561	4.4
99.04466	7.4
103.05477	4.5
105.04548	1.6
105.07043	51.5
107.04973	11.6
107.08616	16.8
109.02905	1.0
109.06526	11.0
109.10175	13.1
111.04466	1.4
113.06013	2.7
115.05434	5.7
116.06255	3.9
117.07033	26.9
119.04115	2.1
119.04964	35.6
119.08600	26.1
121.06531	20.8
121.10151	8.5
123.04534	1.5
123.08078	4.3
125.06035	4.9
127.07593	2.4
128.06261	5.6
129.07034	10.9
130.07814	12.4
131.04938	3.8
131.08588	32.1
133.06508	7.6
133.09258	1.3
133.10149	16.1
135.04401	2.4
135.08081	7.6
135.11696	3.6
137.06021	7.2
137.09633	2.6
139.07623	1.5
141.06993	7.2
142.07771	2.8
143.08580	13.0
144.05707	3.6
144.09360	7.3
145.06500	16.9
145.10141	80.2
146.07288	1.2
147.08087	7.4
147.11703	10.9
149.06039	3.7
149.09612	6.1
149.13255	1.2
151.07518	2.1
153.07034	2.4
154.07808	6.9
155.06059	1.6
155.08604	6.7
156.09351	2.1
157.06450	2.2
157.10147	5.4
158.07262	8.3
158.10959	1.9
159.08084	14.6
159.11714	43.4
161.06058	1.5
161.09660	4.4
161.13284	3.1
163.07532	4.2
163.11218	22.0
167.08575	1.7
169.06439	1.1
169.10162	14.7
171.08040	3.8
171.11723	5.5
172.05232	4.6
172.08852	4.5
173.06035	4.0
173.09651	100.0
173.13237	13.0
174.10303	1.9
175.07521	4.6
175.11200	4.0
177.09116	9.4
177.12718	1.9
178.07832	1.1
179.08574	5.3
181.06509	1.3
182.07280	4.2
185.09619	1.6
187.07574	3.3
187.11203	51.1
187.14824	16.4
188.11627	1.2
188.74263	1.2
189.12741	6.3
191.10686	11.4
191.14304	1.9
197.09651	16.6
197.13326	3.7
205.08626	2.4
205.12277	10.4
205.15871	4.5
215.08791	2.1
215.10699	44.5
215.14236	16.5
215.17828	1.4
216.10979	1.0
233.08012	9.2
233.09949	1.1
233.11749	33.6
233.15384	47.0
233.19048	3.4
234.15782	1.4
246.60815	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1173
Annotation	Drupanin
Peak:m/z	Relative Intensity
53.03942	2.0
54.28224	0.7
55.01859	3.6
55.05504	2.1
57.03431	1.1
67.05511	5.5
68.99795	1.1
69.03433	4.9
69.07061	2.9
69.44823	4.8
69.45228	1.7
71.04988	1.6
72.07735	0.9
73.70022	0.8
79.05493	10.3
81.03409	1.6
81.07057	7.3
83.04978	2.4
85.06540	1.5
87.00802	0.8
91.05487	13.9
93.07042	9.3
95.04974	6.6
95.08598	3.2
97.06523	2.7
99.04469	4.0
103.05461	1.5
105.07040	26.4
107.04952	9.6
107.08599	6.5
109.06514	5.7
109.10147	1.8
113.05997	0.9
115.05453	3.4
116.06198	1.1
117.07028	13.8
118.37089	0.9
119.04959	10.7
119.08598	10.2
121.06502	12.4
121.10141	3.1
123.04420	1.8
123.08053	1.2
124.14536	0.9
125.05962	1.5
128.06198	2.8
129.06984	5.5
130.07799	8.7
131.04897	1.4
131.08585	15.3
133.06496	4.1
133.10176	5.1
135.04443	1.2
135.08051	4.3
135.11705	1.5
137.05977	3.8
141.06990	4.1
142.07744	1.5
143.08559	6.3
144.09334	2.8
145.06476	7.1
145.10135	47.3
145.14362	0.8
147.08081	2.3
147.11700	5.9
149.06017	1.1
149.09616	1.4
149.41785	0.8
154.07750	4.3
155.06081	1.2
155.08531	2.8
156.09348	1.0
157.10085	2.3
158.07286	4.2
159.08099	5.1
159.11703	17.2
161.05943	1.3
161.09625	1.8
163.07542	3.5
163.11191	23.9
167.08571	1.2
169.10147	11.3
171.08061	1.5
171.11765	1.4
172.08781	3.3
173.09633	100.0
173.13258	3.4
174.09964	1.6
175.07553	1.2
175.11198	1.3
177.09138	1.8
177.12773	1.6
179.08572	2.8
182.07242	3.1
187.07494	1.1
187.11201	28.7
187.14792	5.3
189.12737	3.6
191.10687	5.2
191.14323	1.0
197.09636	10.1
197.13318	1.1
205.08536	1.9
205.12128	5.4
205.15727	1.0
215.08675	1.8
215.10690	26.2
215.14299	3.7
218.05734	0.9
231.96234	0.9
233.08009	3.0
233.11729	32.6
233.15253	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	233.081
Annotation	2-Hydroxy-7-methoxy-5-methyl-1-naphthoate
Peak:m/z	Relative Intensity
55.01840	0.5
55.05518	0.7
58.16881	0.5
59.19321	0.4
67.05502	1.0
69.03413	0.7
69.07056	0.5
69.77512	2.5
75.38708	0.5
79.05493	1.4
81.07053	1.6
84.62189	0.4
91.05507	4.5
93.07049	1.6
95.04969	0.5
95.08603	1.7
103.05458	1.2
105.03419	0.5
105.07054	2.4
107.04912	0.4
107.08599	1.5
115.05473	1.9
116.06249	2.3
117.07050	1.4
119.08580	1.6
121.06497	0.5
121.10173	0.9
123.08114	0.5
128.06238	14.0
129.07022	23.1
131.04959	2.9
131.08571	6.1
133.10123	0.9
135.11699	0.6
141.06976	0.8
143.08565	0.8
144.05725	4.4
145.06483	2.1
145.10132	3.0
147.08049	3.0
147.11668	0.7
149.09573	0.8
151.07591	1.0
155.04958	0.7
155.06042	2.9
156.05739	1.3
157.06480	3.1
157.07652	2.6
159.08063	15.2
159.11682	2.2
163.07562	1.1
171.04430	1.4
172.05202	15.1
173.06007	2.3
173.09671	1.0
173.13214	0.9
177.09155	1.3
178.07777	0.8
185.05920	2.3
186.06583	0.5
187.07555	55.8
187.14874	3.1
188.07864	1.1
189.06956	1.3
190.07780	3.5
191.08586	1.9
191.14282	0.6
197.13243	0.7
200.04701	17.3
202.07845	1.5
203.08598	6.5
204.09377	4.0
205.04961	1.4
205.08563	1.9
205.10191	15.9
215.07037	100.0
215.08656	21.0
215.14240	1.1
216.07220	2.6
216.09155	1.0
218.07312	5.5
233.08083	48.6
233.09798	20.0
233.15341	3.9
233.21051	0.8
234.08322	0.7
243.09203	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.0962
Annotation	1-Methoxypyrene
Peak:m/z	Relative Intensity
55.05455	0.8
62.65311	0.4
67.05434	1.1
69.03358	0.6
69.07004	0.8
70.22228	0.8
70.22609	0.9
79.05421	1.1
81.06969	1.7
89.92645	0.4
91.05385	3.5
93.06956	2.1
95.04911	0.8
95.08513	1.7
103.05400	1.1
105.03339	0.4
105.07036	3.2
107.08501	1.5
109.06448	0.8
115.05424	0.7
117.06938	1.5
119.08583	2.5
121.06443	0.7
121.10030	1.2
125.05981	0.4
128.06177	0.6
129.06934	1.4
131.04883	0.6
131.08549	3.2
133.10075	1.3
135.07986	1.0
145.06410	1.5
145.10133	3.4
147.11607	1.5
149.05891	0.6
155.05988	1.3
157.10042	0.7
159.07999	1.1
159.11702	2.0
163.11168	0.6
165.07004	1.0
167.75803	0.4
172.05270	0.5
173.09602	1.0
173.13251	1.2
175.11133	0.6
177.09038	0.8
178.07735	1.5
179.08522	0.6
187.07520	1.2
187.11148	1.3
187.14844	2.5
189.07011	2.9
190.07774	10.5
191.07120	0.6
191.08575	4.5
191.10229	0.6
197.13310	0.5
202.07762	4.3
203.06685	0.9
203.08569	18.0
204.09337	12.9
205.10146	49.6
206.10492	1.0
213.06944	0.5
215.08577	100.0
215.14137	2.5
216.09036	2.5
218.07285	18.6
219.07994	1.2
231.08220	2.1
232.08746	0.8
233.09653	92.4
233.15161	4.8
233.19041	1.0
234.09969	2.0
243.09106	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	233.0679
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	3.0
55.01868	3.2
55.05516	20.6
56.05045	1.5
56.96571	69.2
57.03441	8.6
57.07068	5.9
58.06612	1.7
59.05002	1.9
61.02935	7.2
61.03187	1.3
67.05509	6.6
69.03438	18.2
69.07078	3.3
70.06590	5.5
70.30939	2.7
70.31332	3.3
70.98127	1.8
71.01349	5.5
71.04999	4.5
71.95244	2.4
72.07112	1.3
72.08147	5.7
72.96034	1.6
73.02929	9.3
73.06248	1.3
73.06567	14.3
74.06072	5.4
74.97618	2.5
75.04494	1.3
79.05501	1.9
81.03418	7.5
81.07069	3.2
82.06545	1.5
83.04972	3.1
84.04514	3.7
84.08145	5.2
84.96049	10.9
85.02431	2.4
85.02912	26.8
85.03413	0.9
85.06548	13.7
86.06078	1.4
86.09700	5.8
86.97589	1.4
87.04485	6.9
88.07643	38.0
91.05465	1.7
95.01305	1.6
97.02908	22.9
97.96843	1.4
98.97594	100.0
99.04464	5.3
100.99140	7.2
101.00887	5.5
103.00616	3.1
103.02423	3.8
104.01298	1.5
104.07127	2.0
105.02187	1.5
105.07041	2.2
109.02901	3.8
109.06562	1.4
110.01283	3.7
110.97580	29.7
111.00824	4.3
111.05622	1.9
112.07605	4.3
112.99135	6.1
113.00880	1.8
113.02357	4.0
113.33794	1.3
115.02399	2.1
116.01254	1.6
116.98631	30.0
119.00137	3.4
119.01894	12.7
119.08601	2.3
121.01665	4.1
121.06525	1.2
124.99105	4.0
125.01759	1.8
126.97095	3.3
127.00639	2.7
127.03919	5.0
128.02296	3.9
128.98628	25.6
129.02176	1.5
129.03989	1.6
130.08626	6.3
131.00162	6.0
131.01875	4.1
131.05606	3.7
131.08549	1.3
133.01651	3.1
133.03459	2.1
134.02234	1.6
134.99669	4.9
135.07976	1.5
138.05252	2.9
138.96976	1.6
140.02324	4.6
140.98631	3.0
141.02173	1.5
143.00255	6.9
143.01901	17.0
143.03667	5.6
144.98106	7.4
145.01677	5.1
145.03436	3.2
145.04971	3.0
145.10132	1.7
146.04105	6.5
146.99701	10.8
147.03281	8.7
147.05846	18.7
147.55888	5.3
149.01169	5.4
149.02859	2.8
149.06615	2.5
152.02301	1.4
152.04085	3.2
153.03058	2.2
154.03865	1.5
155.00148	2.4
155.01924	3.2
155.03400	2.7
155.04666	54.4
155.54817	3.8
156.98102	2.5
158.05930	1.4
158.56538	1.7
158.99666	31.4
159.03198	3.7
160.06155	3.9
161.01210	5.1
161.02942	16.3
161.04720	14.4
161.06616	1.4
162.03404	1.5
162.29030	1.6
162.99155	5.9
163.02750	5.4
164.05211	12.5
165.00751	2.6
165.04314	4.2
166.55496	2.6
168.03566	2.9
168.05403	2.1
168.98109	2.9
170.03351	4.6
170.05098	1.5
170.99651	7.3
171.01337	1.7
172.97636	3.1
173.01201	8.0
173.02953	3.8
173.04669	3.0
173.06802	3.8
174.07758	1.7
174.99191	2.8
175.02730	2.5
175.04515	1.7
176.03314	2.0
177.00763	19.3
177.04352	2.0
177.05989	3.3
179.02295	1.4
179.05815	1.8
185.01364	1.5
185.02968	2.7
185.06532	2.3
186.04431	1.6
186.99142	3.6
187.00821	3.1
187.02637	2.0
187.08585	2.6
189.00719	7.3
189.04327	3.5
190.98633	5.7
191.02223	10.8
191.03909	7.8
191.05943	4.7
191.07652	2.0
201.00729	11.5
201.02446	2.2
202.98669	1.5
203.02197	1.9
203.03987	3.9
203.07874	2.2
205.00168	4.5
205.10796	3.2
207.01717	3.0
207.05156	1.7
208.99657	8.1
209.03148	2.0
209.06946	4.3
210.06580	3.8
215.07771	1.5
217.00174	1.4
219.01787	30.1
219.05093	2.0
221.05107	1.8
223.01218	3.6
224.06267	3.0
229.00139	1.7
231.01733	2.2
232.99666	1.5
233.03177	3.2
233.04930	2.6
233.06793	31.5
233.12769	2.8
233.15166	8.7
233.56880	2.9
234.09837	15.8
237.02864	27.3
243.01637	1.7
247.01273	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	232.1698
Annotation	Metazocine
Peak:m/z	Relative Intensity
50.08796	0.4
53.03944	0.6
55.01864	0.8
55.05516	1.5
60.81394	0.5
62.64933	0.4
65.03956	0.5
67.05511	11.6
69.03428	1.0
69.07066	2.4
71.09254	1.1
75.11514	0.5
79.05491	2.1
81.07066	5.2
83.04978	0.7
85.02934	0.6
91.05479	4.0
93.07040	4.1
94.06559	0.9
95.04983	1.0
95.08614	5.1
95.64725	0.5
96.08144	5.5
105.07056	2.6
106.07384	0.7
107.08619	3.2
108.08134	1.1
109.06519	2.4
109.10159	6.6
111.02853	0.6
115.05446	0.6
115.48323	0.5
117.07009	1.8
119.08581	2.7
121.06513	1.2
121.10146	1.1
122.06036	5.6
122.07285	2.0
122.09676	3.3
123.08103	0.5
128.06259	0.7
131.08549	1.9
133.10121	1.6
134.09650	2.2
135.08084	1.3
137.09628	29.8
140.65544	0.5
144.08920	0.9
145.10141	3.2
146.10527	0.6
147.08037	0.7
147.11670	1.7
149.09653	0.8
149.13200	0.5
157.10022	0.9
158.10643	0.8
159.11667	1.1
160.11090	0.6
162.09146	0.6
171.74921	0.6
173.09625	1.7
173.13223	2.9
175.11159	0.7
177.09001	0.6
186.13573	1.1
187.11107	0.8
187.14803	1.0
190.15930	4.0
191.14339	1.9
197.13408	0.6
202.12267	1.0
204.13916	0.8
214.09322	0.8
215.14328	1.7
217.14595	0.8
232.16983	100.0
233.08200	0.7
233.11739	0.8
233.15378	2.3
233.17352	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	232.9974
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03970	0.4
54.45979	0.3
55.01884	1.2
55.05521	2.0
55.30862	0.4
56.05045	1.0
56.96572	100.0
57.03445	3.2
57.07105	0.3
58.06596	0.5
58.18242	0.3
58.99871	0.9
59.05013	0.6
60.05640	0.4
60.95852	0.8
61.02932	3.2
64.73566	0.3
67.05515	1.3
68.03967	0.3
68.05061	0.4
68.99815	0.6
69.03436	7.2
69.07082	1.0
69.97671	1.4
70.06610	2.4
70.98115	1.0
70.99855	0.6
71.01359	3.0
71.05000	1.7
71.95282	2.2
72.08163	5.1
72.96042	2.0
73.02934	3.5
73.06563	0.4
74.06097	1.0
74.97614	1.7
75.04516	0.3
77.00919	0.5
78.98331	0.3
79.05505	0.9
81.03422	2.6
81.07062	0.9
81.23022	0.3
82.05306	0.5
82.99882	1.5
83.00778	0.4
83.05015	1.3
84.04484	0.8
84.08152	3.8
84.96048	8.7
84.99635	0.6
85.01417	1.8
85.02918	7.1
85.06564	1.2
86.06087	1.0
86.09715	10.9
86.97626	1.0
87.01183	0.6
87.04474	2.2
88.04053	0.6
88.07644	6.8
88.99139	1.0
89.00912	0.3
91.05499	1.2
94.06592	0.5
95.04993	0.9
95.08633	0.4
97.01440	0.5
97.02338	0.7
97.02903	6.5
97.99212	0.6
98.03254	0.5
98.21415	0.6
98.97594	39.8
99.04465	2.0
99.21423	0.3
99.97944	0.3
100.02627	0.5
100.99159	24.5
101.00889	14.9
101.77525	0.3
102.01000	0.4
102.05531	0.5
102.97017	1.7
103.00645	4.8
103.02460	4.8
104.10767	0.6
105.02224	2.1
105.07041	0.9
107.04990	0.9
108.96049	0.4
109.02909	1.3
110.01278	0.6
110.03187	0.5
110.97584	15.9
111.02990	0.5
111.04482	0.6
112.07580	1.9
112.95543	0.4
112.99149	2.8
113.00906	2.1
113.02399	1.2
113.03529	0.5
114.05537	0.4
115.00690	1.4
115.02426	3.2
115.03979	1.0
116.10794	0.4
116.98638	20.3
117.02211	0.7
117.04015	0.5
117.07015	0.5
119.00202	11.7
119.01931	29.6
119.03742	1.0
119.08607	0.5
120.01950	0.8
120.02696	0.6
120.06617	0.5
121.01684	10.9
121.03520	1.3
121.04266	0.4
121.06583	0.4
122.02266	0.5
123.03213	0.7
124.99124	1.3
125.01076	0.4
125.07110	0.5
126.97062	4.6
127.00719	2.5
127.01656	0.5
127.02392	2.1
127.03967	1.5
128.02371	0.4
128.07080	0.8
128.98621	20.2
129.02141	1.0
129.03134	1.0
129.04063	0.9
130.00212	0.4
130.08652	3.2
131.00204	3.5
131.01906	8.7
131.02831	0.6
131.08632	0.6
132.00655	0.4
132.02022	0.7
133.01920	2.0
133.03482	16.6
134.01443	0.4
134.03685	0.5
134.99669	8.0
135.03270	1.4
137.01250	0.8
137.02950	3.8
137.04793	0.9
138.04297	0.4
139.01695	0.4
139.02696	1.9
140.02403	0.8
140.05046	0.5
140.98624	0.8
141.02170	0.4
141.03094	0.5
142.01862	0.5
142.03493	0.7
143.00208	4.1
143.01910	13.5
144.02042	0.6
144.98111	14.1
145.01768	7.5
145.03522	13.3
145.06558	0.6
145.10193	0.5
146.03691	0.7
146.04996	0.8
146.99663	15.7
147.01498	1.0
147.03201	6.2
147.05067	1.5
147.08067	0.5
148.00456	0.5
148.03963	1.0
148.97620	0.7
149.01163	4.5
149.03032	1.3
150.01907	1.3
150.97076	0.7
150.99063	0.6
151.04547	5.3
152.01535	0.5
152.05058	0.6
152.98676	0.4
153.00763	0.6
154.04779	0.5
154.96579	0.7
155.00296	0.4
155.01967	2.0
155.04681	1.6
156.05150	0.5
157.03506	5.5
158.99663	3.4
159.01501	0.5
159.03313	1.2
159.05086	1.0
160.00499	0.4
161.01311	6.1
161.03026	24.2
162.03224	1.0
162.99176	12.9
163.02824	9.3
163.04575	4.0
165.00737	16.5
165.04184	1.8
165.06216	0.4
167.02182	1.5
167.03484	0.9
167.99701	0.5
168.03654	1.0
168.05180	0.6
168.95795	0.5
168.98157	2.0
168.99898	1.2
169.02151	0.4
169.03516	1.2
170.99706	1.3
171.01221	0.4
171.05058	0.5
172.97597	7.8
172.98923	0.6
173.01300	4.0
173.03046	8.1
173.13338	0.6
174.04626	0.5
174.99223	0.8
175.02826	1.1
175.04614	6.5
177.00780	2.9
177.02539	1.1
177.04282	0.8
177.05858	0.4
178.05064	1.3
179.02328	2.3
179.03952	0.6
179.05711	0.4
181.00220	2.3
181.03807	1.7
182.03188	0.7
183.01778	5.6
184.04663	1.0
185.03030	2.9
185.06630	0.4
186.00771	0.5
186.04491	0.9
186.95323	0.6
186.96896	1.5
186.99232	4.2
187.00969	9.7
187.02821	3.2
187.04619	5.6
187.06233	0.4
187.11256	0.5
187.14825	0.4
188.02481	0.4
189.00740	7.4
189.02371	0.8
189.04401	1.0
189.06108	0.6
190.98657	25.5
191.02321	13.0
191.04095	13.3
191.05820	0.5
191.07742	0.5
192.01495	0.7
193.00275	0.7
193.03888	0.8
195.01767	0.5
197.03180	0.8
198.11276	0.5
200.04680	0.4
201.00760	1.0
201.02545	3.7
203.02322	0.8
203.04106	2.2
204.98109	0.8
205.00267	1.0
205.01984	1.7
205.03917	1.5
205.05618	0.7
205.07492	0.5
205.10968	1.1
207.01778	9.1
207.03569	0.5
208.99724	37.9
209.03375	3.5
210.00394	0.9
210.02576	3.4
210.04440	0.9
210.06293	1.0
212.03728	0.4
214.00375	1.2
214.03938	0.5
214.05800	0.4
215.02238	0.8
215.04144	2.8
215.14212	0.8
216.01964	0.4
217.00417	0.3
217.15643	0.5
219.01935	2.4
219.03624	3.0
221.03464	1.2
221.05289	0.7
221.10268	0.4
223.01282	0.4
223.06583	1.8
225.02898	0.6
227.00757	3.7
228.07373	0.6
232.01364	1.1
232.99779	1.3
233.03258	2.1
233.05176	12.3
233.10529	0.5
233.12547	0.9
233.15291	2.1
233.18810	1.1
233.51691	0.4
233.57564	0.7
234.07909	0.4
234.10127	0.5
237.02820	2.8
239.04491	1.5
251.04323	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.211
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.5
55.05316	0.7
55.05515	8.4
56.05016	0.8
57.07070	2.7
60.65012	0.8
67.05513	11.9
69.07072	22.1
70.06556	0.9
71.52039	0.8
79.05492	6.8
80.91800	0.8
81.06590	1.6
81.07062	31.4
81.07790	1.3
83.08630	5.5
91.05489	7.1
93.06483	1.7
93.07050	27.2
95.08614	39.3
96.36117	0.8
97.10163	4.7
98.98435	0.9
103.05494	0.8
105.07036	15.9
107.08605	28.4
109.10164	26.0
111.11749	4.8
117.82494	0.8
119.08596	21.6
121.10157	35.4
123.11724	20.3
126.40764	0.9
131.08582	1.2
133.10143	12.0
135.11705	25.5
137.13255	8.2
145.10083	1.2
147.11702	9.7
148.08727	1.0
149.13269	9.0
161.11998	1.8
161.13280	26.9
163.14841	2.6
163.37328	0.8
171.11610	1.2
175.14841	25.9
176.15306	1.1
177.76694	0.9
189.16394	3.3
190.10870	1.1
203.18021	2.5
203.65964	1.0
231.10046	1.5
231.13699	3.3
231.17398	2.5
231.21095	100.0
232.11566	1.2
232.21426	2.3
244.29930	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.2112
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	9.9
56.05014	2.2
57.07068	3.0
57.59079	2.3
59.52759	2.0
66.95071	1.9
67.05512	13.7
69.07091	21.2
70.06591	2.7
70.82228	2.0
78.30342	1.9
79.05493	7.3
81.07066	33.5
83.08630	4.9
91.05489	8.3
93.06509	2.1
93.07069	28.9
95.08623	34.7
97.10157	3.9
98.20706	4.2
105.07051	19.7
107.08613	33.1
109.10175	30.9
110.07190	3.1
110.37199	2.0
111.04398	2.5
111.11736	4.3
119.08605	20.1
121.10170	35.4
123.11721	15.4
133.10161	13.8
135.11725	23.2
137.13287	6.6
147.11714	11.8
148.08626	3.1
149.08221	3.5
149.13254	6.9
153.98660	2.0
157.10184	2.2
159.11755	2.5
161.13290	25.9
163.14894	2.5
175.14879	28.1
189.09186	2.3
189.11375	4.1
189.16359	3.0
191.11618	2.9
203.18039	2.7
204.20216	1.9
204.72281	2.1
214.10863	1.9
231.10078	5.4
231.13751	11.9
231.21117	100.0
232.21396	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	231.1706
Annotation	H-Val-Leu-OH
Peak:m/z	Relative Intensity
53.03942	0.3
55.01880	0.3
55.05516	12.2
56.05038	0.6
57.03428	0.2
57.05826	1.1
57.63490	0.2
61.12324	0.2
67.05508	0.5
69.03442	1.2
69.07069	0.7
69.90179	0.9
70.06580	0.2
71.05009	0.3
72.04555	0.3
72.08164	100.0
73.08510	0.5
75.04496	0.4
79.05508	0.7
81.03446	0.6
81.07069	0.8
83.04994	0.4
84.08154	0.3
85.02925	0.8
85.06519	0.2
86.00749	0.2
86.09716	4.9
88.58949	0.2
91.05495	1.3
92.05756	0.2
93.07069	0.7
95.04993	0.7
95.08636	0.3
97.02897	0.4
98.20903	0.4
98.70908	0.2
98.97585	0.5
99.04500	0.3
105.07042	1.7
107.04996	0.3
107.08610	0.5
109.02969	0.3
109.06547	0.5
115.05471	0.3
117.07099	0.5
118.07579	0.3
119.04945	0.3
119.08617	1.0
121.06569	0.6
127.03992	0.3
127.07586	0.3
128.06273	0.7
129.07014	0.7
131.08612	1.0
132.10213	3.2
133.10185	0.7
135.08116	0.3
137.06027	0.2
141.07050	0.6
142.07840	0.8
143.08553	1.7
145.06505	0.5
145.10176	0.9
147.08066	0.5
147.11653	0.3
149.09654	0.3
155.08597	0.5
156.09415	0.3
157.06471	0.3
157.10123	1.5
159.08102	0.7
159.11787	0.5
161.06010	0.2
161.09703	0.5
170.10965	0.3
171.06560	0.6
171.08057	0.5
171.11754	0.9
172.08740	0.3
173.09697	0.7
175.07625	0.5
175.11272	0.5
183.08147	0.4
185.09743	0.6
185.13208	1.8
185.16603	0.7
187.11244	0.3
189.09180	0.4
189.12849	0.3
195.11774	0.6
201.54330	0.2
203.07021	0.3
203.10689	0.5
203.14404	0.7
213.09183	0.5
213.12755	1.0
231.06628	1.1
231.10307	1.0
231.11525	0.2
231.13773	3.5
231.17062	2.5
242.69267	0.2
250.79465	0.2
254.78268	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.1382
Annotation	Volvatellin
Peak:m/z	Relative Intensity
51.69004	1.6
53.03937	4.5
55.01865	3.0
55.05526	11.0
55.34655	1.5
56.96569	1.6
56.97884	1.4
57.03443	2.3
57.07058	2.1
59.04999	4.8
61.17359	1.4
65.03934	2.3
67.05512	9.7
69.03421	6.6
69.07069	18.0
70.06590	2.0
70.62679	3.5
70.63028	2.4
71.04980	3.2
72.08133	2.0
73.02920	1.7
75.03529	1.5
79.05502	16.8
81.03429	14.2
81.07070	12.1
83.04981	11.5
83.08591	2.0
84.04537	1.6
84.08150	2.2
85.02924	10.7
85.06548	2.6
86.09713	41.8
90.29407	1.5
91.05492	26.1
93.07051	17.4
95.04978	37.4
95.08624	12.1
95.90958	1.5
96.09771	1.7
97.02887	2.8
97.06525	6.3
97.10153	4.8
98.97570	4.8
99.04479	1.6
105.07046	29.7
107.04978	8.0
107.08595	22.5
109.02888	4.6
109.06528	13.3
109.10141	5.4
109.48811	1.6
111.04491	2.4
111.08071	2.5
113.02403	1.6
115.05442	3.4
117.07030	11.0
119.04954	3.7
119.08596	36.7
121.02937	1.7
121.06505	8.4
121.10151	9.1
123.04417	2.3
123.08075	9.3
125.06042	2.3
128.06233	13.8
129.07030	15.4
130.07750	3.6
131.04973	2.2
131.08563	14.5
132.05760	2.3
133.06502	8.7
133.10139	16.9
135.04422	4.4
135.08066	7.9
137.06026	10.2
137.09612	12.7
141.06995	5.7
142.07773	11.3
143.08566	31.1
144.09355	2.9
145.06476	6.8
145.10132	20.1
147.08049	21.4
147.11681	6.1
149.09642	3.7
149.45396	1.5
151.07562	1.9
153.07007	1.9
155.08566	9.5
156.09341	10.4
157.06454	3.6
157.10146	22.2
158.07201	2.5
158.99638	2.5
159.08052	6.0
159.11708	9.0
161.05965	3.6
161.09604	14.8
161.13289	5.0
163.07469	1.8
165.07007	4.9
168.09329	1.7
169.10094	2.9
170.10887	13.0
171.08092	7.1
171.11674	11.0
173.09671	12.0
173.13310	4.0
175.07541	6.9
175.11200	6.1
175.14798	10.5
183.08060	2.1
183.11716	2.6
184.08723	2.0
185.09607	3.0
185.13258	27.4
187.11182	7.6
188.08170	1.6
189.09161	4.9
189.12779	5.1
195.11737	7.7
198.10384	3.8
201.12776	2.1
203.10765	1.9
203.14340	29.0
213.12769	24.5
231.13815	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.0864
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.4
55.01881	0.8
55.05513	39.0
56.72196	0.7
57.03433	3.3
57.07074	3.3
59.05007	2.6
65.03935	1.2
67.05502	2.1
68.99799	3.0
69.03431	8.0
69.44317	6.3
71.04998	7.8
71.08631	3.3
72.08144	1.6
79.05494	29.0
81.03455	1.8
81.07059	100.0
82.07413	1.2
83.04993	11.7
83.08627	11.3
85.02917	1.3
85.06548	11.4
87.00829	35.2
91.05477	2.4
93.07043	1.6
95.04978	0.9
95.08632	1.6
97.02892	0.8
97.06550	0.7
99.04501	0.8
99.08092	9.2
100.65033	0.7
101.06020	1.4
105.01861	2.0
105.07032	3.1
107.08598	0.7
107.47375	0.7
109.06520	48.6
110.98499	0.7
117.07018	1.4
117.09140	3.9
119.08595	2.2
121.06501	1.0
121.10155	1.0
121.64488	0.8
127.07561	47.4
128.06206	1.2
129.07034	1.8
130.06548	0.9
131.08572	2.3
133.10130	1.3
141.07053	1.1
142.07805	1.9
143.08534	4.5
145.06487	0.8
145.08612	8.9
145.10139	1.8
147.08086	1.6
155.08566	1.0
157.10172	3.4
158.09721	3.2
159.08131	1.4
159.11705	1.2
161.09726	1.2
168.08098	1.0
171.11697	2.1
180.05347	0.8
185.13211	3.9
187.11212	0.8
199.05544	1.2
203.14362	1.1
213.12836	2.7
231.06575	1.5
231.08487	3.6
231.13686	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	231.0866
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	4.4
54.16282	1.0
55.05519	37.2
57.03433	3.5
57.07083	5.2
59.04998	2.8
59.91232	0.9
65.03946	2.3
67.05515	4.6
68.99792	3.1
69.03441	12.1
69.07086	2.1
69.77921	5.4
71.05006	10.8
71.08631	3.4
72.08166	4.9
79.05505	31.8
81.03434	3.7
81.07069	100.0
82.07374	1.0
83.04999	12.8
83.08632	16.0
85.02927	2.8
85.06564	11.8
87.00846	34.6
90.09181	0.9
91.05492	7.8
93.07083	4.3
95.04977	3.5
95.08623	3.2
97.02932	1.5
97.06567	1.9
98.21426	1.4
99.04455	1.5
99.08102	9.3
101.06010	1.0
103.05505	1.2
105.01870	2.7
105.03419	1.6
105.07032	7.6
107.04961	2.6
107.08607	3.4
109.06535	54.7
113.04300	1.3
115.05457	2.3
117.07028	3.9
117.09161	3.2
119.04979	1.1
119.08595	4.9
121.06547	1.3
123.08066	1.3
127.04002	1.3
127.07574	54.5
128.06192	2.6
129.07018	5.7
130.07765	1.2
131.04898	1.2
131.08575	6.6
133.06493	1.5
133.10138	2.6
135.04491	1.1
135.08073	1.4
135.11688	1.8
137.05927	1.3
141.03705	2.6
141.07011	2.2
142.07806	4.1
143.08595	9.7
145.06485	2.4
145.08644	11.0
145.10112	6.0
147.08012	4.4
147.11691	0.9
153.01826	2.8
154.07716	1.0
155.08591	2.1
156.09363	2.8
157.10170	10.7
159.08107	2.6
159.11703	5.1
161.09621	3.1
161.13324	1.0
167.08566	1.4
169.10149	1.6
170.07291	1.3
170.10962	2.9
171.02997	1.0
171.08072	2.8
171.11705	5.8
173.09645	2.9
175.07629	2.2
183.08124	1.1
183.11723	1.2
185.06056	1.3
185.08189	1.0
185.09668	4.0
185.13307	10.6
187.11244	2.6
189.09142	3.0
189.12741	2.2
195.11713	2.2
198.10397	1.3
201.12691	1.1
203.10643	1.5
203.14369	3.0
213.09180	3.4
213.12732	8.4
214.08371	0.8
231.06555	3.0
231.08641	3.6
231.10397	2.7
231.13794	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	231.0654
Annotation	Visnagin
Peak:m/z	Relative Intensity
53.04010	0.3
55.05570	0.7
57.07151	1.0
62.35579	0.4
67.05564	0.5
69.03160	0.6
69.03509	1.5
69.07137	0.5
70.06668	0.4
71.05060	0.3
71.17534	0.4
71.17861	0.5
72.08195	0.3
79.05559	0.6
81.03495	0.5
81.07129	0.7
82.39650	0.3
83.08672	0.3
85.02972	0.6
89.23107	0.3
91.05487	1.5
93.07122	0.6
95.08672	0.4
97.02973	0.3
97.06550	0.3
105.06484	0.3
105.07032	1.5
107.05055	0.4
107.08691	1.0
109.02972	0.6
111.04510	0.5
115.05546	0.4
117.07088	0.7
119.08661	1.4
121.06583	0.4
121.10162	0.3
129.07045	0.6
131.04941	0.5
131.08652	1.2
133.06543	0.4
133.10216	0.6
142.07845	0.5
143.08641	1.2
145.02922	1.2
145.10176	1.1
147.08055	0.7
157.10213	1.2
159.04431	0.4
159.08095	0.4
159.11739	0.4
160.05196	0.5
161.06053	0.9
161.09613	0.6
161.13246	0.4
171.11754	1.1
173.02382	2.2
173.09673	0.7
173.13385	0.3
174.03131	5.3
174.04475	0.4
175.01596	1.0
175.07573	0.7
185.06056	0.4
185.09676	0.6
185.13272	1.2
187.03941	2.5
188.04692	0.7
189.05513	1.0
201.01857	2.4
202.07855	0.9
203.06958	0.8
203.08620	0.9
203.10779	0.4
203.14268	0.5
213.05502	0.6
213.12778	0.9
216.04195	100.0
217.04532	2.1
231.06511	58.5
231.13802	3.1
231.17442	1.2
232.06821	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.0353
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.7
56.96566	16.2
57.03423	4.6
61.02914	2.2
68.98297	1.2
69.03441	6.8
70.18818	3.4
70.99838	2.1
71.01350	1.5
71.95284	1.3
73.02905	3.8
73.06586	1.6
81.03429	1.8
82.99834	3.7
83.00790	2.3
83.04968	1.2
84.04505	1.8
85.01387	1.6
85.02895	5.7
86.99316	2.2
87.04461	1.8
89.00870	2.0
95.00751	1.8
95.04911	1.2
96.01575	1.5
97.01385	1.3
97.02883	8.0
98.01323	1.5
98.97588	50.8
101.00888	56.4
102.01540	3.1
103.02459	1.9
104.01324	2.5
110.01298	2.5
110.87051	1.2
110.97572	5.2
111.02024	6.2
112.99150	4.2
113.00854	3.4
115.02438	5.1
116.98637	12.8
117.02147	1.7
119.01927	100.0
120.02624	15.1
120.03362	2.2
122.01281	2.0
124.99174	2.3
125.01832	1.9
125.99175	1.2
127.02413	3.4
127.03908	2.0
128.98601	3.7
129.00279	1.8
129.03105	10.2
131.00182	3.9
131.01888	11.2
131.05000	3.3
132.02548	1.9
133.03464	4.9
134.02362	2.0
134.99686	1.7
137.02972	13.5
138.02652	1.6
140.02313	4.6
141.00313	2.8
141.03107	3.9
142.03510	1.5
143.01924	20.4
143.03596	1.4
145.03493	18.3
146.99657	2.5
147.01419	4.7
147.03122	3.6
149.02882	4.8
153.03166	3.7
155.00267	2.3
156.03644	13.2
157.03458	8.1
158.99696	2.5
159.01418	9.6
161.01486	2.6
161.02972	46.3
161.04375	2.6
162.03607	2.0
163.04561	3.7
163.53128	1.5
167.02112	1.9
168.03687	2.4
169.03522	2.5
171.01459	7.2
171.04108	3.8
173.01248	4.1
173.02943	7.8
174.97630	1.4
175.04539	2.6
177.00954	1.3
177.02579	2.6
177.04121	5.4
177.05711	1.5
179.02248	3.4
182.99811	1.8
183.99731	1.7
185.02972	11.7
185.04739	5.0
186.04669	23.7
187.04643	1.9
189.02510	6.1
189.05467	1.7
191.02357	2.7
191.03995	4.5
196.00751	3.5
198.97757	1.3
201.02492	7.2
203.04018	2.6
203.05757	1.5
205.01590	3.7
208.04507	6.5
219.01492	1.5
219.03477	14.0
221.03337	3.9
222.05782	7.8
226.01810	1.9
231.03511	13.2
231.06277	14.9
239.04449	8.4
249.04668	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	229.1549
Annotation	H-Pro-Leu-OH
Peak:m/z	Relative Intensity
55.01876	0.7
55.05488	0.4
56.96297	0.6
56.96569	9.5
57.03443	0.6
58.06600	6.2
59.07380	1.4
60.08167	7.7
68.05028	1.2
69.03432	0.8
69.62214	0.8
69.62643	1.2
70.06594	38.9
70.77707	0.3
70.98131	0.3
71.01365	0.9
71.95261	0.8
72.08166	0.9
72.96049	0.4
73.02920	0.4
73.06651	0.3
81.03407	0.4
82.99847	0.5
83.97633	0.4
84.96039	3.0
85.02911	0.9
86.09693	0.4
96.08128	1.8
97.02899	0.8
98.06065	1.0
98.97590	19.4
99.04470	0.3
101.00901	1.9
110.97587	4.5
111.02037	0.4
112.99140	0.4
113.00925	0.3
114.05547	4.2
114.09167	2.0
116.07101	0.8
116.98629	7.5
119.01914	2.2
120.02568	0.4
124.07592	4.2
124.99191	0.3
126.09160	0.7
127.03824	0.3
128.98618	2.7
131.01921	0.6
133.03429	0.3
134.99670	1.1
139.53204	0.3
140.03825	0.5
140.98596	0.3
142.08638	35.2
143.00189	0.4
144.98116	0.7
145.03442	0.3
146.99622	0.3
148.03853	0.6
156.98074	1.5
157.03459	0.6
158.04869	0.4
158.99644	0.6
159.03186	0.3
160.06500	0.7
161.02969	0.4
167.07056	0.4
168.03578	0.4
168.98077	0.8
168.99799	0.4
169.03589	0.4
170.05031	0.4
170.08133	1.5
171.03406	0.5
174.99170	1.8
186.99161	1.0
187.00912	1.1
187.04652	0.7
188.05911	0.4
189.04279	1.3
192.04651	0.4
196.47537	0.3
205.05870	0.3
206.07033	1.6
215.00348	0.4
217.00243	0.4
223.06598	0.5
224.08081	1.2
229.15482	100.0
230.07039	1.5
230.15845	1.6
247.06808	0.4
248.07967	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.0353
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	2.4
56.45180	0.7
56.96569	13.5
57.03450	1.2
61.02942	1.1
68.98303	1.4
69.03424	3.7
70.08758	1.8
70.09153	1.7
70.99854	1.7
71.95271	1.6
73.02927	1.3
73.06559	1.9
74.93163	2.2
82.99850	6.5
83.05009	1.1
84.04515	1.3
84.96053	1.3
85.01391	1.7
85.02894	2.5
86.99349	1.3
89.00916	1.3
97.01425	2.2
97.02893	3.4
98.21459	1.2
98.97592	39.5
101.00890	60.3
102.00936	2.2
103.02473	1.9
105.00369	1.4
106.96217	0.8
107.92834	0.8
110.01293	1.3
110.97576	3.7
111.02092	1.3
112.99155	2.8
113.00876	7.3
115.02435	3.1
116.98631	13.8
119.01928	100.0
120.01960	2.7
120.02637	2.5
120.03344	0.9
121.01679	1.1
124.99102	1.9
125.99278	1.4
127.02415	2.9
128.98653	2.5
129.00354	1.7
129.02194	1.1
129.03119	2.8
131.00229	2.0
131.01926	11.7
131.04956	1.9
133.03459	4.0
134.99686	3.6
137.02953	12.1
141.00369	1.7
142.03545	2.4
143.00185	1.5
143.01910	20.1
143.03654	1.8
143.04836	1.1
145.03473	16.3
145.04576	0.6
146.99701	2.2
147.01398	5.8
147.03059	1.8
149.02945	1.9
153.00505	1.1
153.03210	1.0
154.00449	1.0
155.01965	1.2
156.03629	1.6
156.96590	1.1
157.03491	7.4
158.99709	1.2
159.01440	7.8
159.03236	1.7
161.02968	48.0
162.03183	1.0
163.04538	2.7
164.99030	1.1
167.01994	2.8
167.03584	1.0
169.03500	1.8
170.00998	1.0
170.99066	2.1
171.01419	7.1
173.01265	3.4
173.02980	5.8
174.97641	1.2
175.04544	2.0
177.00951	1.8
177.02502	3.4
179.04034	1.8
182.96774	1.0
183.01601	1.1
184.04663	1.4
185.02979	16.3
185.04745	6.3
186.04506	6.1
187.04616	2.1
188.99992	1.4
189.00891	1.1
189.02518	5.3
190.01614	1.1
191.02359	1.7
191.04042	4.6
192.98814	1.7
196.00790	1.5
198.00485	1.5
201.00870	1.4
201.02495	9.5
203.04008	5.0
203.05812	2.3
204.05379	1.3
204.51472	2.5
205.01617	1.9
207.06517	1.0
208.04590	7.1
209.05173	0.9
213.02441	1.6
219.03601	12.6
230.91580	1.0
231.03494	10.1
231.06067	3.5
239.04515	1.3
249.04462	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	229.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03916	0.3
55.01876	0.9
55.05513	1.6
56.96569	1.0
57.03431	1.4
57.22302	0.3
58.06607	6.4
59.07386	1.2
60.08165	7.6
61.02922	0.9
61.63721	0.3
68.05025	1.3
68.93982	0.3
69.03436	2.0
69.89960	1.5
70.06595	40.9
72.08161	0.7
72.47066	0.4
73.02930	1.6
73.06560	1.6
81.03407	0.8
81.04531	0.4
81.20098	0.3
82.99850	0.8
85.02907	2.4
94.02678	0.9
95.06104	0.8
96.02418	0.4
96.08123	1.5
97.02881	1.5
98.06062	0.8
98.97572	1.8
99.04466	0.4
101.00891	3.9
102.00991	0.4
102.02429	0.4
103.03175	0.7
108.04258	0.4
109.02972	0.3
110.97570	0.5
112.03696	0.6
113.00871	0.7
114.05546	3.9
114.09174	1.8
115.02425	0.9
115.72736	0.3
116.07069	0.7
116.98606	0.8
119.01130	0.6
119.01920	5.0
120.02623	0.6
124.07601	4.2
125.04361	0.3
126.09204	0.9
127.03899	0.5
127.05010	0.4
129.03137	0.5
130.81718	0.4
131.01921	0.8
132.01979	0.3
133.03391	0.7
133.04234	0.9
138.03372	0.3
139.02432	0.6
139.04213	0.4
139.06029	0.5
142.08641	33.9
143.01906	0.8
143.08929	0.4
148.03831	0.6
148.04840	0.3
148.06586	0.8
154.04779	0.6
157.03473	2.7
161.02969	0.4
163.05305	1.2
163.55344	0.4
169.07083	1.6
170.08154	1.8
175.04568	1.4
183.11330	0.8
184.05843	1.5
187.00882	0.8
192.04660	0.5
215.00374	0.4
223.06610	3.4
229.15482	100.0
230.15800	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1435
Annotation	9-Peroxy-5,6E-dehydro-6,7-dihydrogeranyl acetate
Peak:m/z	Relative Intensity
51.92605	0.8
52.88145	0.8
53.03941	1.4
55.05507	8.2
57.03438	17.9
57.07076	1.7
59.05001	4.7
59.27665	0.8
65.03931	0.9
67.05506	100.0
69.03421	1.2
69.07069	2.6
70.06567	1.4
70.10222	2.1
70.10629	2.3
71.04985	3.3
79.05477	2.1
81.07059	15.6
83.08626	6.9
85.06532	2.8
86.06067	1.0
87.78713	1.0
91.05486	5.8
93.07053	3.3
95.04986	1.5
95.08608	5.8
98.06063	1.6
104.56644	0.9
105.07013	1.2
107.08601	1.3
109.10157	83.0
110.10472	1.4
111.08079	2.4
119.08585	8.7
130.07796	0.9
131.08519	1.2
133.10123	0.8
135.07758	1.0
137.09628	4.5
139.05840	1.2
142.07695	1.1
145.10121	1.1
155.10663	5.6
173.11755	22.7
173.13200	1.2
212.09122	0.9
229.08844	1.1
229.12299	1.9
229.14255	21.6
229.19508	3.2
229.23453	3.5
230.10323	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1435
Annotation	Traumatic Acid
Peak:m/z	Relative Intensity
52.95869	4.5
55.01861	5.2
55.05512	7.7
57.03432	20.3
57.07074	4.8
57.22919	4.5
62.06312	6.0
67.05506	46.7
69.03448	7.6
69.07063	9.4
70.06594	18.0
70.57114	17.4
72.08168	5.7
79.05505	8.8
79.77734	4.6
81.07080	31.1
83.08611	6.6
84.53206	4.7
88.07656	10.3
91.05485	22.5
93.07063	15.6
95.04971	9.6
95.08591	9.9
98.06016	6.2
99.00836	18.2
105.07044	14.9
107.08644	6.6
109.06524	7.5
109.10167	33.1
117.07043	7.5
119.08590	22.6
121.06620	6.3
121.10207	11.8
123.11698	7.0
123.59665	5.3
126.46930	4.9
128.06276	6.9
129.07028	8.2
131.08560	14.0
133.10144	8.3
139.68930	5.9
141.06941	5.5
143.08525	5.9
145.06505	5.1
145.10150	16.5
147.08020	6.2
147.11745	29.9
155.08598	14.9
157.10132	15.6
159.08093	9.4
159.11751	6.6
165.12720	11.5
168.09340	9.3
169.10191	5.6
171.08044	6.1
171.11710	8.2
173.09648	10.4
173.13193	8.7
175.11203	8.7
183.11719	15.3
187.11208	5.0
193.12297	6.5
201.12843	8.9
211.11116	8.4
229.05009	10.9
229.08534	10.0
229.12274	38.3
229.14320	18.5
229.15932	18.6
229.19559	18.9
229.23555	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1226
Annotation	Mansonone C
Peak:m/z	Relative Intensity
50.71391	0.8
55.05502	4.4
57.03437	2.4
64.99696	1.0
65.03944	1.3
67.05513	9.7
68.05824	1.3
69.03414	2.5
69.07055	2.8
70.86481	2.0
71.05001	1.2
79.05471	2.9
81.07056	5.7
83.04987	1.7
83.08614	1.3
84.08939	1.6
85.02887	1.2
91.05496	8.6
93.07037	3.1
95.04954	1.8
95.08610	4.0
96.08937	1.8
98.06108	1.0
99.00856	1.1
105.07052	8.4
106.17621	1.0
107.08620	1.7
109.06544	1.1
109.10162	7.2
110.10489	2.6
115.05458	2.2
117.07020	4.0
119.04969	1.6
119.08597	7.9
121.06503	2.1
123.04480	1.3
128.06213	5.0
129.06990	6.1
131.04958	1.2
131.08588	12.9
133.06529	1.0
133.10118	1.1
133.20103	1.1
141.06990	6.6
142.07762	4.1
143.08583	8.3
144.05704	1.7
144.09338	2.1
145.06465	3.0
145.10130	7.6
147.08054	3.6
147.11678	1.0
153.06987	4.5
154.07788	1.7
155.06075	1.3
155.08578	13.5
156.09399	1.6
157.06488	2.4
157.10138	4.1
158.07272	2.6
158.10963	1.1
159.08066	9.6
159.11691	4.4
161.09592	1.1
165.06999	1.1
167.08606	2.0
168.09358	13.0
169.06485	1.1
169.10103	2.6
170.10902	1.2
171.08038	2.4
171.11682	2.2
172.08835	2.0
173.05997	2.8
173.09627	4.0
173.11906	1.1
173.13263	5.8
175.07596	1.1
176.15184	1.2
178.07805	2.0
181.06509	5.0
181.10124	1.8
182.07274	1.9
183.08089	3.2
183.11711	24.1
185.05968	1.2
185.09673	2.1
185.13234	2.2
186.10394	1.6
187.07582	6.4
187.11206	3.9
188.96597	1.1
193.10139	5.3
195.08064	1.4
196.08896	9.1
199.07510	1.7
200.08420	1.4
201.09077	2.2
201.12761	16.2
211.11194	20.2
211.14650	1.4
214.09937	2.9
229.04929	2.1
229.08565	2.9
229.12256	100.0
229.15933	4.6
229.19591	2.4
229.23569	3.7
230.12537	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.155
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90462	0.3
55.01864	0.8
56.30608	0.4
56.96569	2.5
57.03427	0.9
58.06359	0.5
58.06607	6.1
58.99853	0.4
59.07373	1.2
60.07883	0.6
60.08167	8.0
61.02917	0.9
62.09003	0.4
68.05017	1.0
68.98285	0.4
69.03420	1.6
70.06597	40.3
70.31384	0.9
70.31778	1.1
70.99860	0.9
71.01359	0.4
71.04977	0.8
71.06921	0.5
72.08157	0.9
80.32325	0.4
81.03367	0.4
82.99850	1.9
85.01396	0.5
85.02905	1.2
89.00858	0.4
96.08123	1.6
97.02893	0.8
98.06065	1.2
98.97594	4.4
101.00889	13.5
103.02400	0.9
111.02085	0.5
113.00872	1.4
114.05531	4.2
114.09180	2.7
115.02436	1.1
116.07102	1.1
116.98616	1.1
119.01923	17.5
120.02615	0.9
120.52741	0.9
124.07605	3.9
126.09136	0.9
126.98783	0.9
127.02477	0.5
127.03927	0.5
128.98595	0.5
129.03098	2.0
129.03981	1.4
129.53287	0.4
131.01927	2.3
133.03448	2.7
137.02969	1.7
142.08643	34.3
143.00143	0.5
143.01930	0.8
143.05536	1.1
144.99854	1.9
145.03468	0.5
147.05045	0.9
148.03835	0.7
149.02885	0.4
151.04520	0.6
157.03476	0.9
161.02904	0.8
161.06573	1.4
168.99863	4.0
170.08139	1.4
172.18236	0.4
172.99405	0.9
173.03038	0.5
179.02135	0.5
183.07687	2.0
187.00911	5.3
196.99394	0.9
197.01064	1.0
201.06110	0.4
201.62764	0.4
202.21613	0.4
205.01971	0.8
215.00395	4.7
215.02246	0.6
229.08194	1.8
229.15486	100.0
230.15823	2.3
239.04366	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1437
Annotation	9-Peroxy-5,6E-dehydro-6,7-dihydrogeranyl acetate
Peak:m/z	Relative Intensity
55.05526	8.4
57.03448	20.4
57.07075	2.0
59.05012	6.2
63.01400	0.8
65.03941	2.3
67.05516	100.0
69.03446	1.3
69.07076	2.4
70.00292	0.9
70.06590	1.3
70.64767	0.9
70.81413	1.0
70.81754	2.2
71.04998	3.8
72.66555	1.1
79.05510	2.9
81.07073	14.2
83.08629	6.8
85.06557	2.6
91.05499	6.4
93.07066	3.6
95.08614	6.6
98.06078	1.2
100.07704	1.1
107.08607	1.8
109.10175	87.7
110.10509	1.5
111.08096	3.4
113.98000	0.8
119.08604	5.0
121.10210	0.9
137.09616	4.7
155.10704	5.2
159.11757	1.7
173.11763	21.7
183.11943	1.2
202.10709	1.0
229.08806	1.5
229.12320	1.9
229.14330	22.1
229.19585	3.3
229.23581	3.8
230.10075	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1072
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58464	0.4
53.03934	1.1
54.41976	0.4
55.05511	0.9
55.48821	0.4
57.03431	1.0
67.05506	1.1
69.03419	1.3
69.07059	1.7
70.06598	16.3
71.26566	0.7
71.26890	0.5
72.08153	0.9
73.29503	0.4
78.04725	3.1
79.05496	2.7
81.03410	1.0
81.07038	1.3
81.61234	0.4
83.04962	0.6
84.08127	0.8
84.96019	0.5
85.02896	1.0
86.09714	26.9
91.05490	4.8
93.07042	1.9
95.04954	1.7
95.08614	0.6
97.02862	0.7
98.97586	1.4
103.05457	1.8
105.04509	0.5
105.07042	2.2
105.48177	0.4
106.04170	2.5
107.04950	1.9
107.08575	0.7
109.02898	1.0
109.06517	1.1
111.04453	0.6
116.07099	40.8
116.98573	0.5
119.04952	1.3
119.08580	1.9
121.06515	1.9
122.03696	0.4
123.04436	7.7
124.05210	1.6
125.05991	1.0
128.06242	0.6
129.06978	1.2
131.08560	1.5
133.06503	0.9
134.03598	0.6
135.04485	0.8
135.08080	0.7
135.09129	0.5
137.05983	2.5
140.04605	0.6
141.07004	0.9
143.08583	1.2
145.06499	1.0
147.08015	1.2
149.05980	3.1
151.03931	1.9
152.04684	2.1
153.07025	0.5
155.08562	1.8
157.10156	1.0
159.08058	0.9
159.11716	0.5
161.05969	1.0
163.07523	0.7
165.05507	0.4
165.06998	1.0
165.09076	0.7
166.06316	0.8
167.07050	100.0
168.07407	1.9
168.09366	1.1
171.08066	0.5
172.08759	0.5
173.09555	0.6
173.13268	0.5
181.08653	2.8
181.10036	0.6
183.07953	0.8
183.11664	1.2
185.09718	0.7
187.11194	0.8
193.08615	1.6
201.09146	1.0
201.12697	1.2
205.98738	0.5
211.07677	0.9
211.09479	0.8
211.11186	1.1
220.06744	0.7
229.08882	1.9
229.12215	4.0
229.15477	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	228.0545
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64408	0.4
54.17735	0.4
56.96560	9.3
58.84238	0.5
59.76978	0.5
69.03426	0.9
71.02210	1.0
74.97620	0.5
85.02903	1.0
98.97594	3.3
109.99179	0.5
116.98619	0.8
138.02269	2.4
155.04602	0.7
155.54829	1.0
156.03331	100.0
168.03340	39.9
168.04858	0.6
168.07417	0.6
174.04398	45.4
175.04819	0.6
186.04401	99.0
187.04753	0.8
192.05455	3.3
204.05455	40.3
205.05905	0.5
206.28986	0.4
209.05988	1.5
222.06477	1.0
227.07178	0.5
228.05443	11.5
246.06500	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	228.2688
Annotation	n-Pentadecylamine
Peak:m/z	Relative Intensity
53.00309	0.2
55.05524	0.4
57.06658	0.3
57.07077	5.3
58.06335	0.2
58.06581	1.5
59.07402	0.3
59.68961	0.2
60.08168	22.8
67.05514	0.3
69.07063	0.2
70.06586	0.2
70.89776	0.4
71.08630	2.2
81.07050	0.4
85.10169	0.9
89.94091	0.1
95.08620	0.5
97.99948	0.1
109.10175	0.4
138.05519	0.4
189.11983	0.2
228.08614	0.3
228.12376	0.5
228.26875	100.0
229.27188	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1074
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.7
53.11186	0.4
55.01880	0.4
55.05515	0.5
57.03440	0.5
67.05500	1.2
69.03424	0.8
69.07091	0.5
70.06581	1.2
71.01356	0.3
71.05014	0.6
72.08146	0.9
77.03919	0.5
78.04719	3.0
79.05488	2.6
81.07054	0.8
83.04939	0.4
84.08150	0.5
85.02939	0.4
85.06522	0.5
91.05492	2.9
93.07045	1.7
95.04987	2.0
95.08607	0.8
96.05771	0.4
97.02905	0.5
103.05471	1.4
105.07050	2.7
106.04183	2.3
107.04946	1.4
109.06507	0.5
109.10161	0.9
117.07047	0.7
119.04920	0.5
119.08578	0.7
120.08200	0.5
121.06526	1.8
123.04436	7.5
124.05238	1.8
128.06258	0.7
129.07043	1.1
131.08604	0.8
133.06503	1.3
134.03687	1.0
135.04419	0.6
135.08067	0.5
137.02380	0.4
137.06018	0.8
140.04694	2.5
141.06981	0.5
143.08597	1.5
145.06483	0.5
145.10114	0.6
149.05984	2.7
151.03894	1.1
151.07483	0.4
152.04707	1.7
153.05414	0.5
153.06943	0.9
155.07082	1.1
155.08534	1.5
157.10098	0.9
159.08075	0.9
159.11728	0.5
161.06032	0.8
165.09070	0.7
166.06273	0.9
167.07062	100.0
168.07423	1.4
168.09329	1.1
169.06448	0.6
169.10158	0.5
171.08087	0.8
172.08855	0.9
173.09595	0.8
181.07001	0.4
181.08586	2.7
183.11734	1.7
187.11159	0.5
193.08614	1.3
196.08908	0.5
201.12779	1.0
211.09538	0.5
211.11302	1.3
224.67476	0.4
229.05099	0.7
229.08627	0.7
229.12280	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1644
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03962	1.6
55.01877	0.8
55.05515	5.8
56.02671	0.9
57.07079	0.8
67.05508	22.6
68.05853	0.7
69.07079	3.6
70.06595	0.8
71.05000	100.0
72.08164	0.7
79.05497	10.7
81.07066	32.2
83.04989	1.4
83.08629	4.8
83.60884	0.6
85.01995	0.7
85.06551	3.7
91.05489	7.0
93.07057	15.3
95.04980	1.6
95.08619	22.1
97.06528	3.4
97.10175	2.5
99.08189	1.0
100.11249	4.7
102.35493	0.7
105.07072	3.1
107.08611	6.5
109.06567	1.4
109.10164	4.7
111.08124	1.7
113.06061	1.0
117.07016	3.7
117.10171	0.6
119.08627	1.8
121.06590	1.1
121.10188	2.1
123.11742	1.0
123.96443	0.6
125.09702	0.7
129.07008	0.7
131.08553	4.7
133.10175	5.2
135.08119	1.4
135.11700	10.0
135.12706	0.7
136.58528	0.6
137.09666	0.8
143.08597	1.2
145.10179	1.1
147.11726	0.9
149.13257	6.1
157.10204	1.2
159.11688	5.1
167.07124	2.1
168.09464	0.7
168.97426	0.7
171.11803	1.0
175.14900	1.4
177.12843	2.6
185.13303	1.3
195.13931	1.0
209.15372	1.5
227.10768	0.7
227.17880	2.7
228.23294	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1643
Annotation	MKN-003C
Peak:m/z	Relative Intensity
53.03944	2.1
55.05515	7.0
57.03440	5.6
57.07079	5.1
59.05009	6.8
65.63161	2.1
67.05511	12.7
69.03427	5.6
69.07075	11.1
69.38645	15.2
71.05000	42.4
79.05502	7.2
81.07068	16.5
83.04988	4.5
83.08638	4.8
84.35677	1.9
85.06544	13.5
88.29321	1.8
90.17764	1.8
91.05510	11.1
93.07071	22.9
95.04980	100.0
95.08614	21.4
97.06534	21.7
97.10196	4.4
99.04463	58.6
99.08102	37.8
105.07043	11.7
107.04955	4.4
107.08604	32.7
109.06522	16.7
109.10191	12.5
111.08094	7.2
113.09669	4.1
115.07590	12.1
117.07085	2.9
119.08585	9.6
120.51872	1.9
121.06507	4.5
121.10152	32.2
123.08067	7.0
123.11732	9.8
125.09667	9.1
127.07566	20.7
131.08553	8.3
133.10156	39.5
135.08090	9.2
135.11749	5.9
136.05199	2.6
137.05998	3.2
137.09619	4.2
139.07556	2.2
139.11177	20.1
143.10701	2.6
147.04341	2.3
147.08028	3.0
147.11711	10.3
148.05191	7.7
149.06047	4.3
149.09634	3.1
149.13272	10.5
151.07527	5.5
151.11180	7.1
153.05569	3.3
153.09125	32.5
163.07547	6.3
163.14838	6.0
165.05489	2.2
166.06279	10.8
167.07108	11.6
167.14194	2.1
168.07814	5.2
169.12244	3.5
171.10226	10.7
171.11447	2.1
173.13271	18.4
177.05670	2.7
177.09119	3.8
178.09915	17.0
179.07089	5.7
179.10603	2.5
181.08609	63.3
183.13889	6.8
191.14374	14.8
194.09451	11.1
209.11755	20.6
209.15332	14.4
227.07271	2.4
227.10612	2.4
227.16435	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	227.1279
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	4.6
55.01880	8.4
55.05275	1.6
55.05518	19.0
57.03439	3.2
57.07066	2.5
59.47316	1.6
64.56906	1.8
65.03886	1.7
67.05508	15.3
69.03422	5.1
69.07063	13.2
70.06596	2.4
71.04980	5.2
71.33164	2.8
72.08144	4.3
73.02885	3.0
78.04729	4.4
79.05086	1.8
79.05505	27.4
81.03413	3.5
81.07059	20.4
83.04965	5.2
83.08620	11.9
85.06534	4.2
91.05496	17.4
93.07050	31.3
95.04981	11.4
95.08616	32.5
97.02891	5.1
97.06518	5.8
97.10167	4.5
99.04469	5.9
99.08066	1.8
100.11263	24.2
100.84801	1.7
103.05459	6.7
105.04530	2.2
105.07014	10.2
107.04970	11.0
107.08607	20.0
109.06508	4.6
109.10152	5.8
111.04459	2.6
117.06998	9.0
119.05010	2.2
119.08630	8.6
121.06521	17.8
121.10159	10.2
123.04429	7.5
124.05213	2.6
125.05989	3.8
128.06244	3.9
129.06966	1.7
131.04889	5.9
133.10110	5.4
134.03615	1.9
135.08032	2.4
135.11700	35.5
137.05968	6.4
139.07495	2.1
140.04704	3.6
141.07037	3.4
142.07744	3.2
143.08534	7.4
145.10123	25.6
147.04428	2.2
149.05977	15.4
151.03946	2.9
153.05351	1.7
155.07016	2.9
155.08524	4.2
156.09300	4.1
157.10123	9.4
159.04454	4.7
163.11191	47.1
165.06981	2.9
166.07784	4.8
167.07056	100.0
167.08417	3.4
168.07500	2.1
171.08026	4.0
171.11705	8.0
177.05482	26.6
179.31152	1.8
181.04948	2.0
181.08653	3.3
181.10168	5.0
181.12189	9.8
183.11612	2.9
184.12413	1.8
185.09566	3.0
185.13214	7.2
191.10674	2.3
197.09666	1.9
199.11069	3.2
199.14709	2.2
209.08052	6.8
209.09859	3.2
209.15010	2.3
212.08414	2.2
227.06972	6.7
227.10617	14.0
227.12779	39.2
227.14284	5.3
227.17915	15.2
228.17404	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1643
Annotation	MKN-003C
Peak:m/z	Relative Intensity
51.97791	1.7
53.03948	1.9
55.01870	2.5
55.05517	18.1
57.03433	8.2
57.07077	3.9
59.05002	6.5
67.05507	13.3
69.03429	8.0
69.07079	14.8
69.39095	12.7
71.05001	36.3
71.08641	2.6
72.08150	3.9
73.06562	2.1
75.04488	1.8
79.05500	10.2
81.07065	16.7
83.04988	6.1
83.08614	8.2
83.68147	1.5
85.02863	1.4
85.06552	12.0
87.04484	1.5
91.04987	1.4
91.05481	8.5
93.07056	22.8
95.04977	100.0
95.08617	35.5
97.06549	16.0
97.10199	7.7
98.20789	3.3
98.97576	1.8
99.04466	41.9
99.08106	20.9
100.11266	10.7
105.07053	12.2
107.08609	25.8
109.06528	14.5
109.10150	14.6
111.08083	6.4
113.09666	4.7
115.07586	5.7
119.08571	8.0
121.06522	3.1
121.10156	25.5
123.04473	1.9
123.08051	7.1
123.11695	7.4
125.09647	11.8
127.07581	9.1
131.08580	6.1
133.10143	28.0
135.08046	5.7
135.11699	8.3
137.09673	3.1
139.07602	1.6
139.11163	9.3
141.11566	2.5
142.07837	1.4
143.08551	2.5
143.10684	5.7
145.10146	2.6
147.11656	7.2
149.09642	2.5
149.13297	10.4
150.09158	3.0
151.11203	5.4
153.09117	24.7
163.14803	7.3
165.12778	3.1
167.07054	8.0
167.08464	1.5
167.14345	6.3
171.10156	13.5
171.11540	2.2
173.13278	15.2
177.05519	2.3
182.15408	2.1
183.13808	3.7
191.14351	13.0
199.18123	1.9
209.15346	21.7
213.17905	2.8
227.10716	3.6
227.16385	40.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1643
Annotation	MKN-003C
Peak:m/z	Relative Intensity
55.01860	1.3
55.05514	8.3
57.03429	5.4
57.07067	5.9
59.04986	5.2
67.05512	7.5
67.74670	1.2
69.03423	4.2
69.07072	10.9
69.68677	7.4
71.04659	1.6
71.04997	22.4
71.08608	3.8
72.08147	2.3
73.06538	1.6
75.04459	1.7
79.05487	5.3
81.06670	1.2
81.07067	16.4
83.04961	3.4
83.08612	4.6
83.81157	1.1
85.06541	10.5
91.05488	6.4
93.07046	19.7
95.04973	100.0
95.08614	19.6
95.95692	1.2
96.05305	1.3
97.06532	17.5
97.10165	3.6
99.03851	1.9
99.04459	29.8
99.08105	23.1
100.11266	6.1
105.07024	8.2
107.08601	20.4
108.33232	1.2
109.06507	11.8
109.10165	11.0
111.08080	4.7
113.06001	1.7
113.09623	3.1
115.07561	4.7
119.08598	7.2
121.06520	2.0
121.10142	16.7
123.08016	4.0
123.11720	8.1
125.06002	1.5
125.09644	11.4
127.07570	8.4
131.08569	3.0
133.10133	24.9
135.08049	3.6
135.11670	4.9
137.09592	2.7
139.11186	10.7
141.11511	3.1
143.08553	2.1
143.10703	7.0
145.10115	2.2
147.11671	6.6
149.09602	2.5
149.13266	10.4
150.09166	1.5
151.11201	4.0
153.09116	28.6
153.12709	1.2
157.10046	2.0
159.04396	1.5
163.14833	4.0
167.07098	8.0
167.10605	2.1
167.14366	2.7
171.10196	11.8
173.13261	11.1
181.15840	1.6
183.13774	2.6
185.08025	1.2
191.10890	1.2
191.14346	9.7
199.18015	1.9
209.15347	16.0
213.17683	1.4
227.07013	2.2
227.14415	1.5
227.16383	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	227.0916
Annotation	Ficusol
Peak:m/z	Relative Intensity
53.03937	2.4
55.01886	5.8
55.05508	2.0
57.03433	1.2
63.32154	0.7
63.79047	0.7
64.75697	0.6
65.03957	6.1
67.05515	4.9
69.03416	1.9
69.07061	2.0
69.68783	1.3
69.69189	2.8
71.04985	1.2
72.08191	1.5
73.02927	37.0
78.99257	0.8
79.05497	2.6
81.07057	2.8
82.04192	2.8
83.04981	1.6
83.08617	1.3
85.02924	4.9
89.89507	0.7
91.05480	3.5
93.03394	2.6
93.07043	3.2
95.04989	8.3
95.08611	2.9
97.02923	1.0
97.06526	3.9
98.20815	1.1
99.08106	0.8
100.11307	0.9
101.80331	0.8
102.51926	0.7
103.05469	1.5
105.03381	3.7
105.07023	0.7
107.04927	1.5
107.08605	4.2
108.02126	1.5
109.06498	1.7
109.10154	1.3
110.03669	2.2
111.08057	1.4
119.08567	0.8
120.93799	0.7
121.06520	3.8
121.10152	3.1
123.04458	7.8
123.08067	1.0
123.11730	0.9
125.02370	3.3
125.05984	2.8
125.09641	2.0
131.08565	0.8
133.10144	3.5
135.04448	0.8
135.11711	1.3
137.05992	1.7
138.03140	1.8
139.03964	0.9
140.04703	50.3
141.07018	0.9
142.02634	2.5
143.08583	1.5
145.10149	0.9
145.52182	0.7
149.06001	2.2
151.03995	0.8
151.11208	0.8
153.05484	5.8
153.06802	1.1
153.09137	1.1
155.07048	56.7
156.07407	1.0
163.03900	1.0
163.14864	1.5
165.07021	1.5
166.06288	1.8
166.07806	1.3
167.07068	17.6
167.10678	0.8
171.06557	4.3
173.08139	1.5
173.13306	2.0
177.05498	2.6
178.06262	1.7
179.07082	2.5
181.04977	100.0
181.08556	4.7
181.10150	2.1
191.14359	1.9
195.06450	1.7
199.11128	0.9
209.08104	23.4
209.09624	1.0
209.15352	1.3
227.09050	13.2
227.16475	2.2
235.20390	0.8
249.41522	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	226.1802
Annotation	Adalinine
Peak:m/z	Relative Intensity
53.03931	0.8
55.05513	6.8
55.29040	0.3
56.69883	0.3
57.03407	0.7
57.07044	1.5
57.07296	0.5
60.04518	0.4
62.24734	0.3
65.03921	0.7
67.05508	3.5
68.05010	0.4
69.03397	1.1
69.06745	0.6
69.07071	7.1
70.06578	1.3
70.70167	0.7
70.70541	0.9
71.04963	0.9
71.08627	0.5
72.04482	0.5
72.08128	0.7
72.66767	0.3
79.05497	2.7
81.03423	0.7
81.07059	6.5
82.06555	1.5
83.04949	1.0
83.08166	0.5
83.08627	6.3
84.08131	0.9
86.06038	0.4
90.35252	0.3
91.05449	1.1
93.07059	2.4
94.06545	1.2
95.04981	2.3
95.05468	0.4
95.07322	1.0
95.08075	0.6
95.08615	8.3
96.08131	2.1
97.06494	1.1
97.10217	0.7
98.06039	0.4
98.09674	0.7
98.97604	0.6
99.04436	0.6
100.07579	0.5
100.11237	1.1
105.06997	1.3
107.04940	1.9
107.08603	2.7
108.08134	3.7
108.08833	0.7
109.06511	3.2
109.08922	2.2
109.10143	2.3
110.06037	1.2
110.09692	15.7
111.08058	0.6
112.07607	1.0
119.05917	0.4
119.08604	0.7
120.05582	2.0
120.08106	0.6
121.06508	0.6
121.10147	1.0
122.06022	0.7
122.09633	1.4
123.08065	2.4
123.10413	0.4
123.11692	1.2
124.07566	1.2
124.11264	2.4
129.06996	0.4
134.09630	0.5
136.07611	2.4
137.08363	3.6
137.13261	3.5
138.09149	8.7
142.08659	0.5
143.08551	0.7
145.10159	0.6
147.11681	0.6
150.09116	1.6
151.09880	0.8
152.10664	0.9
155.09435	0.4
157.41649	0.3
164.10690	0.5
164.14346	0.5
165.12740	2.4
167.06989	2.4
177.05447	0.6
178.15903	0.7
180.10172	0.5
180.17480	23.7
181.17839	0.4
182.15387	1.0
190.12143	0.4
198.18527	5.7
208.16978	56.8
209.17352	0.8
211.11023	0.4
226.10001	2.2
226.10416	2.4
226.14381	2.7
226.18034	100.0
227.10658	0.6
227.14415	0.8
227.18304	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.0915
Annotation	Ficusol
Peak:m/z	Relative Intensity
50.78152	1.5
53.03946	4.1
55.01867	6.6
55.05513	15.2
56.94618	1.4
57.02527	1.5
57.03431	8.4
62.72318	1.5
65.03939	4.3
67.05510	12.2
68.99786	2.6
69.03436	8.7
69.07073	8.8
70.30426	3.2
71.05012	12.8
72.08157	27.8
73.02925	4.1
73.61843	1.6
78.04736	3.0
79.05501	17.6
81.03423	3.5
81.07063	15.6
83.04985	6.5
83.08618	4.6
84.08136	2.2
85.02908	3.6
85.06548	4.7
86.09718	9.8
91.05489	22.2
93.03391	3.8
93.07053	22.7
95.04978	32.0
95.08604	10.8
97.06537	7.8
97.10173	2.3
99.04459	7.5
99.08089	9.3
100.11264	41.7
103.05473	14.2
105.07038	7.5
106.04170	6.4
107.04964	12.5
107.08600	19.4
109.06535	12.0
109.10145	9.1
111.04458	4.4
111.08099	5.4
115.07578	3.3
119.04948	2.7
119.08591	4.8
120.05693	2.2
121.06525	38.5
121.10146	15.9
122.03611	1.7
123.04435	15.8
123.08066	4.9
123.11688	2.7
124.05263	3.1
125.05991	8.0
125.09628	8.1
127.07607	3.6
128.06239	2.0
129.07040	2.0
131.04941	8.0
131.08607	3.0
133.02817	2.1
133.10127	15.4
134.03665	2.7
135.04434	6.3
135.08063	5.1
135.11700	5.9
137.05971	11.2
137.09622	3.7
139.07602	2.3
139.11183	6.9
140.04691	7.9
141.06998	2.3
145.10182	4.7
147.11699	2.4
148.05209	21.1
149.05995	32.1
149.09645	4.2
149.13257	7.2
151.03925	5.1
151.11197	4.3
152.04662	2.8
153.05499	7.1
153.06813	1.9
153.09061	9.6
155.06967	7.9
155.08249	1.6
159.04449	2.4
162.03127	3.1
163.03915	4.9
163.07629	1.9
163.14870	2.8
165.05515	4.8
165.06888	2.1
165.12758	1.9
165.54524	1.8
166.06262	2.5
166.07661	3.4
167.07053	100.0
171.08046	3.3
171.10249	3.0
173.09650	3.0
173.13274	6.7
176.04759	5.1
177.05476	39.6
178.06078	2.0
179.03406	1.7
181.05032	9.2
181.08582	4.2
181.10164	5.3
191.07033	3.1
191.10654	3.0
191.14433	7.5
194.05772	24.0
195.06549	43.2
199.11185	4.8
209.08107	94.2
209.15205	3.6
209.16840	3.3
210.08363	2.4
227.07054	2.9
227.09152	13.5
227.16461	9.0
227.17880	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.0406
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.5
56.96575	38.5
57.03445	2.2
58.10127	1.4
58.99875	2.7
60.95870	1.7
69.03426	5.2
70.17504	4.2
71.05004	2.4
71.95277	2.9
73.02930	2.4
73.33376	1.3
74.93201	6.5
77.00872	1.9
81.03421	5.5
82.99849	2.1
85.02896	3.7
92.11405	1.3
97.01399	2.0
97.02926	11.0
98.97600	69.6
99.04462	6.2
99.97992	2.3
101.00895	24.3
103.00653	5.1
103.02432	1.9
109.02917	7.8
110.97585	7.4
112.99139	3.2
113.00912	1.9
114.95573	1.4
115.02471	4.4
116.00478	2.1
116.98643	37.7
118.00296	3.0
119.01945	51.1
120.02007	3.3
121.01662	13.6
124.99113	1.8
125.01006	4.0
127.02436	4.4
127.03925	13.0
128.98628	4.3
129.04015	1.9
131.00195	5.9
131.01076	1.9
131.01895	7.7
132.01828	2.2
132.96637	3.0
132.99910	3.0
133.03470	4.1
134.99710	14.6
136.00130	1.6
137.01082	1.8
137.02992	9.6
138.99944	1.8
139.02496	8.5
139.99205	1.5
140.00198	9.2
142.03497	3.1
142.98615	1.6
143.00148	1.9
143.01918	5.7
143.11893	1.4
144.03273	3.0
145.03496	18.9
145.52699	1.4
146.01576	2.0
146.99652	3.9
149.01186	3.5
152.01564	3.3
154.00296	1.6
155.01932	6.0
156.03642	1.4
156.96638	5.1
156.97949	1.8
157.00885	1.7
157.03502	38.9
158.01259	8.2
158.03528	1.7
158.99649	2.8
160.99661	2.5
161.02043	11.4
161.03262	2.5
161.52243	2.1
162.99156	1.8
163.04544	3.9
167.01970	12.0
169.00972	4.4
169.03528	5.7
170.02629	2.7
171.01405	2.2
171.05045	4.3
173.01555	2.6
173.03023	22.0
173.04579	2.1
174.97694	12.3
174.99052	2.0
175.04590	8.8
175.99980	2.0
176.02417	3.1
177.00896	6.1
178.01157	2.8
179.00702	28.3
180.00912	3.2
181.03473	9.7
181.53745	1.6
182.98186	2.5
183.98637	1.4
185.02992	100.0
186.00940	1.9
186.03178	4.7
186.99165	2.2
187.04544	14.9
191.02339	2.4
191.04033	2.4
192.98730	5.9
194.94052	2.0
195.00845	2.8
197.02974	5.7
199.04568	16.4
200.01985	2.0
200.97055	1.7
200.99219	2.3
203.00781	5.9
203.02579	1.9
203.04042	47.4
203.05956	2.4
204.01836	12.2
204.05302	7.8
205.00436	2.0
205.02219	2.1
205.54857	2.5
205.99373	1.8
208.04552	2.2
209.03061	3.7
215.02248	1.3
215.04063	17.8
216.98769	2.1
217.02278	1.7
219.00125	2.3
219.01993	5.8
219.03931	2.5
220.02110	1.6
221.01826	21.2
221.05066	8.4
222.02695	6.2
222.04948	1.7
222.06035	1.7
224.52599	1.8
227.02296	3.8
227.04141	26.2
227.07561	1.8
228.05829	1.7
233.05109	8.6
244.89700	6.8
244.96043	2.2
244.98309	3.8
245.01878	5.8
245.05190	32.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1488
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
53.03934	6.2
55.01862	3.2
55.05518	21.6
57.03426	12.7
59.04996	7.3
65.03942	3.8
65.92070	2.7
67.05514	21.6
69.03436	21.1
69.07061	19.7
70.61817	9.1
71.01363	5.4
71.05003	21.5
77.55201	2.5
79.05498	17.2
79.67155	2.7
81.03406	3.0
81.07065	42.1
83.04990	46.5
83.08619	7.2
85.02896	9.2
85.06541	11.8
91.05489	25.8
93.07050	33.2
95.04953	14.1
95.08611	39.7
97.02895	6.8
97.06536	14.5
99.04446	10.4
99.08092	15.0
101.06034	7.1
105.07043	44.3
107.04973	8.5
107.08595	61.5
109.06524	44.8
109.10147	29.9
111.04462	19.4
111.08080	10.7
117.06987	3.4
119.04970	5.9
119.08586	40.2
121.06512	12.8
121.10151	55.2
122.07305	5.2
123.08078	100.0
123.11720	14.1
125.05972	6.0
125.09639	14.1
127.07578	6.6
129.07019	3.5
130.48837	3.8
131.08530	3.9
133.06500	2.9
133.10141	17.4
135.08061	11.7
135.11697	11.0
137.05957	4.4
137.09622	46.6
137.13272	6.8
139.07524	5.0
139.11209	7.2
143.08574	7.2
145.10146	10.5
147.08052	12.6
147.11679	27.3
149.09628	74.8
151.07579	19.5
151.11200	21.4
153.09201	5.3
155.07071	4.6
155.08444	3.7
156.09355	6.1
161.09642	7.5
161.13298	21.6
163.03923	4.1
163.11180	20.1
165.09143	19.9
165.12740	24.4
167.07048	6.3
167.10696	22.7
168.09546	3.7
169.10101	5.9
171.11674	11.8
174.10347	6.2
179.07082	3.6
179.08597	2.9
179.10574	3.2
179.14320	12.9
179.16612	2.8
180.04036	6.7
181.12227	10.0
182.07239	4.4
183.08052	6.1
183.11717	5.3
189.12766	33.7
195.08043	3.0
197.13260	3.2
207.06459	4.3
207.13814	50.9
210.08841	4.6
225.07254	4.6
225.09134	11.3
225.12828	3.7
225.14751	36.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1488
Annotation	Jhanilactone
Peak:m/z	Relative Intensity
55.05520	9.3
57.07076	1.0
59.05014	1.2
67.05510	6.7
69.03426	1.4
69.07080	0.9
71.09385	1.5
71.66089	0.7
73.24914	0.7
79.05498	1.6
81.07063	6.8
83.04991	1.6
85.02917	15.8
86.99726	0.8
91.05479	2.6
93.07037	2.4
95.04986	1.0
95.08623	12.2
97.06563	1.0
97.10184	0.9
103.05457	0.9
105.07058	2.1
107.04929	0.9
107.08586	4.4
109.06512	2.2
109.10177	6.6
113.06029	1.7
119.08577	5.5
121.10143	2.8
122.07300	2.2
123.04413	0.9
123.08112	7.7
123.11731	14.4
125.06001	1.8
125.09642	0.9
131.08557	0.8
135.08083	4.7
135.11688	2.3
137.05992	1.0
137.09634	14.0
138.06799	1.3
141.09105	1.4
144.32408	0.8
147.08055	1.5
147.11659	1.2
149.09694	5.0
151.07536	9.0
152.08371	1.7
153.09132	12.5
161.13292	2.4
163.11287	1.1
165.09138	100.0
179.14352	1.2
189.12749	2.8
192.11424	1.6
194.99715	0.8
207.13853	15.9
225.14879	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	225.1486
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
53.03946	6.5
55.05499	14.1
57.07071	3.4
67.05502	38.6
69.03436	100.0
69.07069	18.4
69.17597	30.6
69.18008	10.9
71.04987	8.4
79.05504	25.6
81.03416	6.8
81.07063	55.8
83.04992	10.5
83.08639	4.8
85.06558	4.3
87.82554	3.4
91.05480	15.5
93.07064	29.7
95.04967	14.3
95.08621	24.0
97.02885	3.9
97.06521	10.8
99.04450	9.9
103.05479	3.4
103.46091	3.7
105.07028	57.8
107.04957	6.8
107.08587	20.1
109.06516	36.0
109.10159	22.4
111.08090	11.1
117.07062	3.2
119.08584	37.1
121.06516	10.6
121.10149	37.7
122.07279	6.0
123.04448	20.3
123.08096	19.4
123.08859	3.9
123.11731	4.6
125.09677	8.5
131.08546	5.2
133.06520	19.5
133.07335	3.3
133.10144	61.9
135.08063	11.4
135.11681	5.0
137.05998	5.6
137.09642	58.0
139.11226	22.9
143.08586	3.5
145.10098	7.7
147.08063	10.4
147.11700	51.9
149.09622	14.5
151.07553	9.7
151.11134	7.1
154.27094	3.5
156.09375	10.4
159.07948	4.6
161.09637	7.1
161.13251	21.7
163.11194	10.2
165.12669	7.1
171.11671	9.3
174.10446	13.2
189.12723	34.8
207.13797	35.3
212.96069	3.9
225.14867	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	225.0722
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05491	1.1
56.96544	2.3
63.30478	0.9
69.84799	3.4
69.85217	2.2
82.99834	4.7
84.96044	3.5
96.59459	0.9
98.97568	5.0
99.04402	1.0
101.00887	43.3
102.00977	1.6
116.98718	2.2
119.01932	66.3
120.02053	1.8
123.98531	1.0
127.03895	0.9
134.99896	3.6
137.02951	8.2
140.98819	7.9
142.03511	6.8
153.00940	1.1
158.98669	1.8
158.99910	22.4
160.04546	2.8
161.02975	3.0
175.03078	1.6
177.00961	97.8
177.93475	1.2
178.01050	7.0
179.04048	4.8
182.99774	6.0
184.04558	3.3
184.19521	1.0
195.02045	1.1
199.04614	1.1
201.00851	10.6
201.02487	3.8
202.00983	1.3
202.02643	1.4
202.05724	1.4
203.03902	1.3
207.01361	1.3
217.04048	14.0
219.02014	100.0
219.94617	3.0
220.02132	13.0
221.02022	2.1
225.00577	5.4
225.02750	1.6
225.04320	1.4
234.00645	1.3
237.95572	1.6
243.01984	28.7
244.02144	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.0758
Annotation	Sparanone B
Peak:m/z	Relative Intensity
53.03946	8.7
55.01881	11.6
55.05505	8.6
56.96568	2.0
57.03440	11.4
57.07064	4.6
59.05000	3.5
62.03473	1.9
65.03940	7.5
66.04734	1.9
67.05508	16.7
68.99795	5.3
69.03437	17.0
69.07063	7.0
70.06589	3.4
70.24960	7.3
71.01348	2.8
71.04993	9.1
72.08158	4.5
77.03938	3.7
78.04723	5.4
79.05071	2.9
79.05503	32.3
81.03423	7.4
81.07058	30.2
83.01366	2.7
83.04975	18.0
84.08173	3.0
85.02909	14.1
85.06550	4.8
87.04459	2.2
89.03981	2.0
91.05485	46.0
93.07058	14.0
94.04204	5.1
95.01311	2.7
95.04982	55.1
95.08606	13.8
97.02874	5.2
97.06541	14.3
98.97594	5.5
99.04463	16.5
103.05443	3.3
104.41045	2.1
105.03386	10.1
105.04518	4.0
105.07054	17.9
106.04182	1.9
107.04961	85.3
107.08609	14.7
108.02085	2.2
109.02879	2.7
109.06514	41.1
109.10152	8.4
109.72595	2.2
110.06067	12.6
111.04440	5.7
111.08083	3.3
113.05982	3.5
115.03927	3.1
115.05481	1.9
119.04961	15.0
119.08586	16.6
121.02895	3.1
121.06551	7.1
121.10164	17.9
122.03642	5.7
123.04440	21.1
123.08086	17.9
123.11720	6.5
124.05216	3.3
125.06008	21.0
125.09618	5.3
126.01079	2.9
128.06421	2.4
128.89493	2.0
129.07034	3.0
131.08578	3.8
133.02870	15.1
133.06494	5.6
133.10139	10.1
135.04416	18.4
135.08037	8.1
135.11678	4.6
136.03986	4.4
136.05197	6.0
137.02402	2.3
137.05989	42.5
137.09644	15.8
139.07550	4.5
145.10110	4.6
147.04414	11.3
147.08063	4.9
147.11690	7.7
149.02348	5.8
149.06030	2.7
149.09604	8.5
150.03098	4.4
151.03935	28.7
151.05029	4.2
151.07558	19.9
151.11223	6.5
153.05473	2.6
153.06860	2.6
153.09100	7.8
159.11691	2.6
161.02380	6.7
161.05968	3.7
161.09630	5.8
161.13260	9.2
163.03935	27.9
163.11195	40.7
165.01845	16.8
165.05499	42.5
165.09103	2.9
165.12752	2.3
167.07059	60.3
167.10759	2.4
169.08598	4.7
171.11671	2.4
175.05066	2.9
179.03448	5.1
179.07047	13.4
179.14328	5.8
180.04189	64.3
180.06546	2.6
181.08546	12.1
181.12238	7.0
182.05788	6.6
183.06535	13.7
183.13777	2.2
189.12721	13.1
193.04985	100.0
195.06543	16.5
197.08115	4.5
207.06531	14.6
207.13792	14.5
209.04408	2.4
210.05205	4.6
224.54993	2.0
225.04062	4.3
225.07494	43.3
225.11052	3.9
225.14891	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	224.1283
Annotation	Maokonine
Peak:m/z	Relative Intensity
50.03581	0.5
56.05037	0.9
58.06609	3.2
59.05017	1.5
65.03960	0.6
65.30291	0.6
68.05040	1.6
68.79153	0.5
69.20748	5.8
69.49938	0.6
70.06570	0.5
76.07658	1.1
79.05506	6.2
82.06576	0.8
82.89378	0.7
84.08133	0.6
91.05488	9.3
93.07060	1.5
95.04974	1.7
98.97581	1.2
103.05476	12.3
104.05008	0.5
104.06303	0.6
105.07040	37.0
106.07389	0.7
107.04977	5.2
109.02876	1.5
117.05845	0.8
117.07040	1.8
118.06551	13.9
119.07323	2.6
120.08113	22.0
126.01089	0.6
128.06224	7.8
130.06537	3.7
131.04950	3.1
131.07327	3.4
131.08580	1.9
132.08116	1.9
136.07626	0.8
137.05977	1.3
143.08578	4.3
151.03975	0.8
158.09662	0.8
160.11232	100.0
161.11554	1.6
178.12285	93.4
179.12688	1.5
206.08261	0.9
206.11757	10.5
207.06544	1.2
207.10175	0.6
224.07152	0.7
224.09299	1.2
224.12830	30.2
225.13023	0.9
226.04289	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	224.092
Annotation	Carboxysalsolinol
Peak:m/z	Relative Intensity
56.05051	0.7
56.64791	0.4
56.96564	2.6
57.03430	1.2
61.02930	1.5
67.48378	0.4
69.03426	1.5
69.89211	1.9
71.01372	0.6
72.08197	0.4
73.02892	0.4
74.06092	0.5
81.03432	0.6
85.02921	1.6
86.06075	0.7
93.05810	0.5
97.02885	0.7
98.20850	0.7
98.97584	2.1
101.00870	1.3
107.90781	0.5
108.04496	1.7
113.02364	0.8
115.02445	0.5
115.05474	0.5
116.98635	0.6
117.05767	10.6
118.06535	0.6
119.01895	1.4
120.01897	0.6
120.02630	0.6
120.52775	0.7
122.06036	0.9
129.01964	0.4
129.03114	1.3
129.53304	1.2
130.03339	0.5
130.06546	1.9
131.01878	1.1
131.07326	3.5
132.04439	1.6
132.08093	38.1
136.07564	1.4
137.04686	1.0
143.00230	0.7
143.01913	0.6
145.05243	7.4
150.05528	0.7
156.11266	0.6
158.06062	0.5
160.07587	57.6
161.07933	0.5
171.01302	0.5
173.02911	0.5
176.98268	0.5
178.08644	70.0
179.09027	1.0
183.01430	0.8
201.00815	0.6
201.02489	1.3
201.04265	0.4
206.08133	100.0
207.08423	1.6
208.20834	0.4
219.01663	0.9
219.03543	0.7
224.06967	1.2
224.09183	18.7
225.09364	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	224.0921
Annotation	9-Hydroxystreptazolin
Peak:m/z	Relative Intensity
50.49632	0.4
51.34395	0.4
56.96566	1.1
70.55686	1.1
86.90381	0.4
90.15701	0.4
93.05813	0.5
98.97620	0.6
105.07065	0.5
108.04476	1.5
115.05470	0.8
117.05775	9.2
118.06565	0.7
120.08154	0.6
121.08452	1.0
130.06534	1.9
131.07344	3.7
132.04453	2.1
132.08102	37.2
136.07600	1.4
137.04724	1.4
145.05247	6.0
145.79410	0.4
150.05476	0.9
158.06058	0.7
160.07596	62.2
161.07922	1.1
162.05492	0.6
178.08650	65.7
179.09087	0.6
206.08144	100.0
207.08492	1.6
224.09192	16.8
242.03333	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.133
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	2.5
53.03938	11.0
55.01867	8.1
55.05510	9.4
57.03445	4.4
57.07073	3.7
59.04999	8.3
67.05511	21.4
69.03427	22.9
69.07061	12.8
69.21376	2.0
70.66642	6.4
71.05011	2.7
72.08147	2.6
77.03926	4.8
79.05495	18.2
81.03419	5.5
81.07058	19.3
83.04988	28.7
83.08614	3.3
84.08153	2.2
85.02901	3.9
85.06544	5.7
86.09692	2.7
91.05480	48.0
93.07050	100.0
95.04974	22.0
95.08625	12.8
97.02869	3.1
97.06535	11.1
98.97588	6.1
99.04488	2.6
101.06046	3.3
103.05478	6.6
105.03394	4.0
105.04570	2.9
105.07027	30.4
107.04955	5.7
107.08597	36.6
109.06522	17.2
109.10153	7.0
111.08092	7.7
113.06033	4.2
115.05480	3.6
117.07021	17.1
119.08588	26.8
120.08117	7.8
121.02857	2.3
121.06513	94.3
121.08363	2.9
121.10152	29.6
123.04385	2.5
123.08078	5.8
123.11687	2.6
125.06027	2.7
125.09628	7.9
127.07552	9.2
129.06981	10.1
130.06520	4.6
130.07761	2.8
131.04912	5.0
131.06915	15.7
131.08554	18.9
131.20842	2.0
133.06480	6.2
133.10152	14.7
134.02448	2.0
135.08092	16.7
135.11685	14.2
137.06006	3.8
137.09616	10.0
139.07518	15.5
140.23196	2.0
142.07788	4.1
144.09300	9.5
145.06499	8.7
145.10104	19.2
147.06348	2.5
147.08040	8.4
147.11658	6.0
148.07587	2.3
149.02368	5.4
149.06062	10.0
149.07948	11.3
149.09625	70.4
149.13258	7.3
151.03975	2.8
151.11195	4.1
153.09090	17.4
155.07083	2.9
157.10103	13.1
159.06421	5.2
159.08047	7.4
159.11685	29.7
161.09619	9.4
163.03886	3.1
163.07530	9.0
163.11200	17.5
165.09108	5.3
167.07071	10.4
172.08803	6.5
175.11192	26.3
176.07162	2.7
177.05528	15.9
177.07513	15.4
177.09097	6.3
177.12717	19.4
177.13814	2.0
179.07172	2.4
179.10690	7.7
181.08691	2.3
187.11224	22.8
191.07042	4.5
192.07852	26.8
193.12231	6.0
205.06927	28.1
205.08672	4.2
205.12198	37.2
205.15320	2.4
223.06071	4.4
223.07831	5.8
223.09660	14.1
223.13248	60.1
223.16731	3.6
225.04283	6.7
227.02301	2.4
244.58612	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1331
Annotation	Heteroplexisolide E
Peak:m/z	Relative Intensity
53.03709	4.4
53.03952	52.1
55.01871	15.7
55.05518	17.0
57.07077	5.5
65.03947	5.9
67.05182	5.4
67.05514	75.9
68.59766	3.0
69.03426	9.1
69.07072	16.8
70.06569	4.4
71.04994	9.8
71.51109	3.8
79.05495	45.8
81.03428	100.0
81.07066	77.8
83.01333	3.4
83.04974	11.1
83.08640	5.3
85.02917	3.9
85.06553	4.9
91.05482	38.7
93.07054	47.3
95.04977	27.2
95.08613	54.1
97.06551	9.5
98.98448	4.9
103.05479	5.0
105.03401	8.4
105.07048	27.1
107.04980	32.6
107.08598	23.9
109.06524	10.4
109.10148	13.6
111.04475	5.9
111.08096	9.7
117.07031	15.2
119.08610	12.4
121.06525	16.1
121.10149	15.4
123.04434	5.6
123.08076	24.7
128.50302	3.3
129.07013	6.0
131.04967	4.8
131.08577	15.6
133.10092	5.7
135.08089	10.1
135.11723	16.8
137.07903	3.4
137.09578	6.1
137.13263	4.4
139.07535	6.5
141.06963	6.2
143.08545	5.8
145.06519	17.6
145.10146	9.9
147.08041	7.4
147.11682	3.9
149.02367	29.1
149.09645	9.2
149.13261	10.1
153.11082	5.3
159.07990	7.9
159.11708	14.1
163.11201	10.2
165.12686	4.2
169.10132	4.2
177.05550	5.8
177.07300	4.0
177.09164	3.0
177.12767	15.6
181.08630	3.4
181.10091	7.7
187.11206	10.8
193.10130	4.2
195.07991	3.9
195.11911	5.9
205.12285	12.3
205.15938	5.4
208.12558	4.9
223.05907	29.0
223.11302	13.4
223.13332	16.5
223.14980	9.1
223.16660	20.8
223.20569	3.5
225.04335	15.6
227.02199	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	223.1331
Annotation	2-Hydroxyibuprofen
Peak:m/z	Relative Intensity
50.81444	2.9
55.05510	11.1
56.96532	2.8
57.03426	3.0
59.19315	3.8
63.03378	3.4
63.03707	3.1
67.05500	12.9
69.03421	14.5
69.07069	4.6
69.16798	34.8
69.17135	2.6
71.04981	11.1
79.05511	18.0
79.46949	2.9
81.07085	17.5
83.01333	10.3
83.04966	9.2
83.08627	3.3
85.02898	7.4
89.50423	2.8
91.05483	21.8
93.07050	26.4
95.04961	12.3
95.08598	11.2
98.20699	6.8
105.07056	27.7
107.04969	7.5
107.08606	33.4
109.06526	8.5
109.10191	7.7
111.04432	5.0
115.05463	4.4
117.07021	12.7
119.08592	37.7
121.06492	14.3
121.10149	31.4
122.07310	26.1
123.08096	13.4
123.45567	3.2
125.05994	10.1
125.09689	5.4
129.07016	13.0
130.07788	4.8
131.08578	11.5
133.10130	13.4
134.96771	3.4
135.08075	50.5
135.11703	30.6
136.08818	15.6
137.06001	3.7
137.09624	24.3
144.09358	21.6
145.10121	17.0
147.08098	7.4
149.05972	6.8
149.08426	4.5
149.09639	93.2
149.13232	7.3
150.06769	26.7
151.07553	10.0
153.09119	6.8
154.66068	3.0
159.11719	46.5
161.09619	4.5
162.10420	4.9
163.07578	8.0
163.11195	65.7
165.09131	27.4
172.08820	7.2
175.07558	28.7
176.08267	4.1
177.09238	4.1
177.11232	5.1
177.12767	89.4
179.10716	5.0
181.12189	4.1
187.11237	18.3
190.09879	21.7
195.13573	3.7
201.30408	3.2
203.10703	13.8
205.12265	100.0
205.14215	5.0
223.13322	56.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.133
Annotation	Aristelegone D
Peak:m/z	Relative Intensity
51.02378	2.6
53.03949	9.0
55.01860	6.2
55.05515	10.1
55.45964	1.9
57.03440	3.8
57.07062	5.2
59.05001	10.6
61.02913	2.3
65.03936	3.0
67.05514	17.3
69.03436	18.1
69.07058	7.7
69.97240	7.6
71.04974	4.6
71.91812	1.6
72.08163	2.3
77.03941	2.4
79.05486	17.5
81.03451	4.0
81.07056	14.2
83.04996	25.7
83.08614	4.5
84.08186	2.3
85.02911	3.7
85.06538	4.0
87.04475	2.5
91.05483	44.2
93.07050	100.0
95.04974	18.2
95.08621	13.8
95.28020	1.9
97.06525	6.9
98.97591	2.9
99.04456	2.8
101.06065	2.4
103.05453	7.8
105.03403	2.9
105.04496	3.2
105.07037	29.4
107.04948	6.2
107.08611	37.4
109.06521	17.3
109.10153	7.0
111.08058	7.9
113.06013	4.4
115.05482	3.3
117.07032	14.7
119.04842	1.9
119.06870	2.7
119.08585	18.7
119.56234	1.7
120.08070	2.1
121.06519	94.7
121.10155	27.9
123.08057	8.0
125.06029	3.0
125.09658	5.4
127.07546	8.8
129.07010	9.4
130.06538	3.5
131.04958	4.0
131.06909	12.4
131.08582	16.4
133.06577	3.8
133.10165	10.3
135.02779	2.7
135.08086	15.7
135.11725	10.0
137.05952	2.9
137.09628	11.0
139.07565	13.3
142.07771	3.8
144.09340	7.2
145.06490	7.4
145.10147	18.6
147.08047	7.8
147.11688	5.2
148.07512	3.3
149.02304	4.4
149.06027	11.6
149.07933	15.1
149.09636	70.5
149.13193	6.1
151.03894	4.3
151.07527	2.6
151.11104	2.8
153.09091	16.9
157.10123	11.9
159.06406	3.6
159.08112	4.1
159.11711	28.6
161.09589	9.6
163.07541	8.9
163.11214	15.4
165.09082	6.8
167.07016	6.3
167.10626	2.4
172.08826	8.3
175.11174	27.6
176.07072	2.2
177.05617	11.5
177.07455	14.9
177.08954	3.8
177.12744	21.3
179.10669	7.0
181.12183	2.2
187.11200	25.2
191.06970	5.2
192.07870	14.0
193.12288	4.5
195.13774	1.9
205.05118	3.2
205.06937	28.5
205.12221	34.8
205.16167	2.0
223.06015	6.3
223.07895	8.5
223.09691	7.7
223.13275	65.8
225.04298	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	223.1331
Annotation	Aristelegone D
Peak:m/z	Relative Intensity
52.61031	2.5
53.03944	9.2
55.01865	6.8
55.05518	26.3
57.03425	9.3
57.07072	3.3
59.04996	8.0
62.82276	2.0
66.77875	2.3
67.05511	19.1
69.03436	19.5
69.07060	14.0
70.84151	2.8
70.84515	6.4
71.04997	10.9
71.39079	2.3
77.03914	2.4
79.05495	17.8
81.03410	10.7
81.07056	24.1
83.01344	5.1
83.04996	30.7
84.08152	2.9
85.02451	2.7
85.02911	36.7
85.06535	6.2
89.06031	3.3
91.05480	32.8
93.06492	3.1
93.07052	52.3
95.04462	2.5
95.04980	23.5
95.08602	22.0
97.02901	6.6
97.06548	11.2
97.10167	11.6
98.97580	7.6
103.05458	7.1
105.06396	3.2
105.07047	33.4
107.04948	7.3
107.08610	29.2
109.02873	3.3
109.06532	27.4
109.10172	17.4
111.04440	2.9
111.08076	13.1
113.06016	6.0
115.05399	3.5
117.07020	12.1
119.08595	28.9
120.08109	2.7
121.06522	55.8
121.10150	25.3
123.04435	3.0
123.08092	15.9
125.05991	4.2
125.09647	4.8
127.07565	3.3
128.06195	2.3
131.04855	2.3
131.06886	5.1
131.08598	14.9
133.06531	4.2
133.10143	22.0
134.02434	2.6
135.02731	3.8
135.08061	27.4
135.11694	23.4
137.05962	6.0
137.09628	47.4
139.07573	15.4
139.11180	2.8
143.08534	4.3
144.09348	6.2
145.06480	9.4
145.10141	17.0
147.08047	9.8
147.11714	6.0
149.02351	6.1
149.06017	18.0
149.09634	34.5
149.13252	8.6
151.03938	5.0
151.05142	2.5
151.07533	5.5
151.11168	8.6
153.09100	5.7
157.10155	6.1
158.05885	2.5
159.06456	4.2
159.08031	7.3
159.11694	26.6
161.09615	13.9
163.07521	7.8
163.11185	34.9
165.07190	3.6
165.09120	41.6
167.07018	9.5
172.08846	3.4
175.11206	15.6
175.97696	2.1
176.07080	3.7
177.00609	2.3
177.05440	6.5
177.07408	13.7
177.09116	6.6
177.12776	27.2
179.10661	10.4
181.12199	3.9
187.11211	13.6
191.07068	4.4
192.07855	4.9
193.12140	3.1
195.13789	6.9
205.05232	3.0
205.06860	18.1
205.08597	4.8
205.12245	47.1
223.06007	6.0
223.07782	6.6
223.09676	7.4
223.13289	100.0
224.13580	3.1
225.04269	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	222.0764
Annotation	6-Hydroxyindolelactate
Peak:m/z	Relative Intensity
67.01852	1.2
69.18337	6.3
76.52821	0.6
79.05495	5.5
91.05465	1.2
92.04998	1.7
96.04477	1.0
103.05454	2.7
105.07048	0.8
106.06573	15.0
108.04476	0.8
112.03988	0.6
112.56481	0.6
114.65935	0.7
117.05772	5.6
118.06545	8.1
119.07333	1.3
120.04469	4.2
120.08132	6.2
122.05990	1.5
124.03937	2.3
127.47449	0.6
130.06544	58.3
131.07361	7.7
132.08078	2.6
133.05219	4.0
134.01463	1.0
134.02400	12.9
134.06018	4.8
145.05164	0.8
146.06024	17.8
148.03970	4.4
148.07591	45.1
158.06035	36.3
159.06297	0.7
160.07617	2.2
161.04718	7.8
164.07088	15.7
166.08614	1.2
169.79153	0.7
174.05466	1.3
176.07091	69.6
177.07358	1.3
186.05647	1.0
192.06618	2.5
194.08185	0.6
204.06583	100.0
205.06871	1.3
205.12489	0.8
208.85762	0.7
222.07643	55.9
223.07922	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	222.0762
Annotation	6-Hydroxyindolelactate
Peak:m/z	Relative Intensity
53.08312	0.5
57.03453	0.6
63.50842	0.4
68.63957	0.5
69.18910	4.7
78.03431	0.7
79.05511	1.8
79.12304	0.5
91.05490	0.7
92.05007	0.9
93.07037	0.7
98.97583	0.5
103.05478	0.8
106.06569	4.6
107.08604	0.7
110.06064	1.1
117.05796	1.5
118.06547	5.6
119.07342	1.6
120.04490	3.1
120.08099	7.3
122.02418	0.8
124.03965	1.7
127.18430	0.5
130.06532	53.5
131.07265	1.5
132.04456	3.4
132.08086	1.0
133.05237	3.5
134.02397	9.1
134.06021	2.1
138.84894	0.6
138.89105	0.5
140.03383	0.6
141.17172	0.5
146.06010	10.4
146.07117	0.8
148.03925	1.8
148.07581	55.4
149.07939	1.2
158.06018	14.9
160.07527	0.6
161.04712	2.1
161.57396	0.5
164.07065	4.4
165.55542	0.5
166.08659	0.7
174.05525	0.6
176.07082	59.8
177.07349	0.9
197.82994	0.4
204.06569	100.0
205.06859	2.0
222.07626	29.3
223.09752	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	222.0762
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03533	0.5
57.03430	0.5
57.54795	0.5
62.46767	0.5
69.76318	0.5
70.93776	1.1
78.77669	0.5
79.05483	1.6
81.07085	0.5
91.05472	1.2
92.04990	1.8
93.07035	1.2
95.04976	0.5
95.08628	0.6
98.97601	0.8
102.25391	0.5
103.05457	0.8
105.07015	0.7
106.06580	3.8
106.07230	0.9
107.08581	0.5
110.06007	0.7
117.05752	1.4
118.06545	5.5
119.07351	1.0
120.04488	3.1
120.08131	7.5
121.06487	1.1
121.10188	0.5
124.03933	1.6
130.06537	57.0
131.07251	1.1
132.04469	1.7
132.08098	0.9
133.05257	3.2
134.02376	8.8
134.05991	0.8
146.06024	9.9
148.03877	1.6
148.07585	57.5
149.07922	0.9
149.09674	1.3
158.06020	12.3
158.22368	0.5
160.07603	0.7
161.04738	1.4
164.07079	3.1
176.07083	54.5
177.07463	1.1
187.11206	0.6
204.06573	100.0
205.06882	1.9
210.52591	0.5
213.55957	0.6
222.07626	36.5
223.13283	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1174
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	0.4
55.01869	0.6
55.05515	1.9
57.03445	0.4
57.07068	0.8
67.05505	2.7
69.03425	0.7
69.07063	2.1
69.47209	2.0
71.04990	0.7
79.05495	2.6
79.13906	0.3
81.07067	4.9
83.04968	0.7
83.08626	0.8
85.06544	0.9
91.05473	3.8
93.07055	3.8
95.04978	0.7
95.08060	0.4
95.08617	4.7
97.06540	0.5
97.10155	0.4
99.08085	0.4
103.05488	0.5
105.07039	6.0
107.04979	0.6
107.08605	5.2
109.06525	1.3
109.10168	3.1
111.08080	1.1
113.05982	0.4
115.05454	2.2
116.06257	0.5
117.07024	5.6
119.04967	0.6
119.08589	5.6
121.06506	1.1
121.10153	5.2
123.08077	1.3
123.11678	0.9
125.09616	0.5
128.06250	1.5
129.06995	0.6
131.04950	0.5
131.08571	0.4
133.06535	2.1
133.10127	3.8
134.07269	1.0
135.08061	1.4
135.11700	2.7
137.09598	1.2
137.13272	0.5
142.07690	0.3
143.04874	0.3
143.08533	1.3
144.05692	0.9
145.06490	1.1
145.10135	0.8
147.04454	0.6
147.08032	1.2
147.11693	3.9
149.05957	0.3
149.09618	0.9
149.13252	0.6
151.03947	0.3
151.11223	0.5
157.10146	0.4
159.08083	0.3
159.11729	0.4
160.05191	0.6
161.05949	2.0
161.09663	1.4
161.13284	2.5
162.05484	0.4
162.06775	5.9
163.11208	1.4
163.14821	0.8
165.09087	1.2
165.12791	0.7
171.08095	0.6
175.07535	3.1
175.08810	0.3
175.11224	0.9
175.14836	2.1
177.09114	100.0
177.16360	1.1
178.07892	0.5
178.09444	1.6
179.10614	0.3
185.13254	0.3
189.05452	0.5
193.08673	0.6
193.10152	0.3
203.06914	0.3
203.08733	0.4
203.10619	1.3
203.14305	2.1
203.17996	2.5
206.16321	0.4
221.08102	0.7
221.09735	0.9
221.11743	1.1
221.15387	4.6
221.19046	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	221.1901
Annotation	Helianthol A
Peak:m/z	Relative Intensity
50.53608	0.2
53.03949	0.4
53.65854	0.2
55.05524	1.1
57.07057	0.4
58.02419	0.2
59.73852	0.2
67.05505	1.3
69.07064	1.1
71.05004	1.3
71.50934	0.2
71.85696	0.2
79.05495	1.6
79.86063	0.2
81.07059	4.2
83.05006	0.2
83.08639	0.7
85.06528	0.6
91.05481	2.3
93.07050	3.2
95.04978	0.2
95.08045	0.3
95.08611	3.0
97.06553	0.4
97.10174	0.3
99.08098	0.3
103.05496	0.4
105.07039	3.5
107.08606	4.5
109.06542	0.6
109.10167	2.1
111.08063	0.3
115.05460	1.5
116.06251	0.8
117.07032	5.4
117.07858	0.3
119.04937	0.3
119.07806	0.3
119.08595	3.8
121.06521	0.4
121.10160	1.4
123.08078	0.2
123.11733	1.1
127.11166	0.2
128.06229	1.2
131.08594	0.2
133.06511	0.8
133.10130	2.5
134.07321	1.0
135.08043	0.8
135.11703	5.6
137.09698	0.4
137.13219	0.2
143.08543	1.1
144.05690	0.5
145.06546	1.3
145.10085	0.3
147.04424	0.3
147.08038	0.5
147.11700	2.9
149.09624	0.3
149.13248	0.6
157.10229	0.2
159.11667	0.2
160.05235	0.3
161.05995	0.9
161.09654	0.2
161.13289	1.5
162.05479	0.4
162.06770	5.2
163.11177	0.3
163.14810	0.4
165.09155	0.2
171.08078	0.8
175.07565	2.6
175.11122	0.4
175.14845	0.7
177.09120	100.0
178.07892	0.3
178.09464	1.9
203.10703	0.4
203.14360	0.4
203.17998	2.6
221.09796	0.3
221.11800	0.7
221.15668	1.5
221.17305	0.7
221.19122	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	221.1175
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	0.3
56.41399	0.2
58.84714	0.2
58.88506	0.2
67.05507	0.2
69.66895	1.1
79.05492	0.3
81.07061	0.9
82.45010	0.2
82.90692	0.2
91.05499	1.2
93.07069	0.9
95.08615	0.5
103.05480	0.2
105.07031	0.7
107.08601	0.8
109.10166	0.6
113.36314	0.2
115.05498	1.3
116.06249	0.8
117.07041	4.5
119.04953	0.4
119.08587	0.8
121.06507	0.3
121.10152	0.4
123.11674	0.2
128.06256	1.5
131.08627	0.2
133.06517	0.8
133.10155	0.6
134.07298	1.0
135.08084	0.6
135.11711	0.9
143.08578	0.9
144.05731	0.8
145.06503	0.9
147.04408	0.3
147.11740	0.5
149.09624	0.3
160.05243	0.2
161.06003	0.3
161.13293	0.3
162.06792	6.1
171.08073	0.7
175.07579	2.6
175.15071	0.2
177.09134	100.0
178.09486	1.4
203.10658	0.4
203.17978	0.3
221.11696	0.5
221.15413	0.3
221.19048	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.1181
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.3
55.05497	0.6
56.96571	1.1
57.07071	7.0
59.05011	5.0
67.05508	7.1
68.27513	0.6
69.07082	5.1
70.02956	7.2
70.62314	1.6
72.04526	18.1
73.02924	4.3
74.02436	1.1
79.41666	0.7
83.05000	0.7
85.06546	11.7
86.09716	2.2
87.08105	2.4
90.05559	100.0
94.06602	0.8
95.04977	8.0
96.08138	3.1
97.02888	1.2
98.02420	18.2
98.97536	1.0
99.30517	0.6
100.03970	3.5
103.07590	7.6
113.06000	3.3
116.03465	15.3
124.07599	19.9
130.06506	1.9
131.07043	0.9
132.04465	1.1
142.08640	10.4
156.10199	1.0
158.06050	1.2
160.09669	1.7
166.08623	2.7
174.11246	2.4
175.08714	1.4
181.05019	0.9
184.09698	20.1
202.10753	26.8
205.15923	2.0
220.09869	1.4
220.11803	26.8
220.13440	0.5
220.17932	1.7
237.59639	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.1182
Annotation	Sodium pantothenate
Peak:m/z	Relative Intensity
52.84047	0.7
56.01396	0.8
57.07079	8.4
59.04998	3.8
61.42992	0.8
63.12643	0.7
66.05823	0.8
67.05505	6.4
69.07071	5.6
70.02957	8.3
70.93832	1.4
72.04525	18.2
73.02899	3.9
74.02448	1.6
75.71559	0.7
79.05484	0.8
83.04996	1.4
85.06557	11.5
86.09697	2.0
87.08121	1.9
90.05563	100.0
95.04977	9.1
96.08117	1.8
98.01832	1.5
98.02425	16.7
100.03961	3.5
103.07587	9.1
113.06028	3.3
113.84974	0.7
116.03464	14.4
124.07601	18.4
131.07080	1.3
142.08638	9.0
152.46529	0.8
156.10225	0.8
160.09708	1.7
166.08662	2.4
170.11778	0.7
174.11253	2.3
184.09703	21.5
202.10771	31.6
204.14391	0.8
205.15927	1.8
220.09666	1.7
220.11815	27.8
220.17868	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0926
Annotation	7-hydroxy-L-tryptophan
Peak:m/z	Relative Intensity
50.83922	0.6
54.06789	0.5
55.05529	2.0
56.96574	6.4
57.03443	0.7
62.92116	0.5
67.05496	0.7
69.03436	1.1
69.21231	4.8
69.93715	0.5
71.01360	0.7
72.08160	1.8
73.02938	1.1
73.06566	1.7
74.02442	0.9
82.02953	2.6
84.96056	0.6
85.02936	1.3
94.06580	4.3
97.02901	1.8
98.97604	16.4
100.99186	0.7
103.05493	1.2
104.03115	2.8
104.04978	0.6
110.97581	0.9
113.03631	1.5
115.05463	1.4
116.98659	3.3
119.00191	0.6
120.08134	1.0
125.03620	1.1
128.02364	0.9
128.98647	1.8
130.06544	75.0
131.00194	0.7
131.06898	0.8
132.04471	46.9
143.00174	1.1
144.98112	0.6
145.01704	0.8
147.03325	0.8
148.07620	3.7
155.04688	8.0
155.54829	4.3
156.04900	1.2
156.06839	0.7
157.07635	39.0
158.06036	89.7
158.99654	1.4
159.06427	1.2
161.01318	1.1
163.02808	0.9
164.05170	1.2
175.08696	100.0
176.05472	0.5
176.07121	2.0
176.08992	1.2
177.00766	0.7
179.02283	1.8
185.07173	1.1
186.05508	2.5
189.04359	0.7
197.03317	0.8
203.08191	14.1
204.06537	4.9
207.05518	0.9
221.09253	22.2
239.04375	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0424
Annotation	Unknow
Peak:m/z	Relative Intensity
55.82651	5.7
56.96561	17.3
69.87029	28.4
69.87431	10.3
70.58985	5.1
74.12275	6.4
83.10138	5.8
87.89576	5.9
98.21412	8.9
98.97586	100.0
116.98625	20.5
127.93156	5.6
143.00140	10.8
161.01199	7.6
179.02293	11.5
221.03381	8.2
239.04315	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	220.1182
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61458	0.6
55.01880	1.0
55.05523	1.1
56.96566	0.8
57.07077	5.9
58.28857	0.6
59.05001	5.0
63.45658	0.6
65.03941	0.7
67.05516	6.2
69.03431	0.9
69.07074	6.4
70.02962	7.3
70.49577	2.3
72.04521	16.1
73.02905	3.7
74.02448	2.1
81.07059	0.7
83.04992	1.2
85.06549	11.7
86.09721	1.3
87.08092	2.0
90.05561	100.0
94.75072	0.6
95.04974	7.6
96.08140	2.3
97.46650	0.7
98.02422	18.3
98.97590	2.4
100.03972	3.0
103.07583	7.9
113.06004	3.8
116.03466	13.2
124.07603	16.5
137.05965	1.8
142.08640	6.9
145.10150	0.9
156.10207	1.8
160.09721	2.1
161.05994	1.4
166.08635	2.1
174.11281	2.7
184.09708	19.4
202.10757	28.1
205.15849	3.2
220.09930	1.5
220.11809	26.7
220.17815	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	219.1746
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.8
55.01865	1.8
55.05519	9.4
57.07081	2.8
67.05515	10.9
69.03419	2.0
69.07069	8.1
70.06597	1.9
70.20862	6.1
71.04993	12.3
72.15811	1.4
79.05497	11.0
80.54874	1.9
81.07063	37.3
83.04985	5.3
83.08646	1.5
88.07626	3.6
91.05484	28.8
93.07049	26.7
95.04980	2.6
95.08599	19.2
97.06541	8.6
97.10184	2.4
98.20829	1.7
98.97567	1.7
99.08126	1.8
103.05496	2.7
105.07040	75.8
107.08587	21.2
107.59413	1.6
109.06503	4.1
109.10143	8.8
111.08092	1.9
115.05435	2.2
117.07000	11.0
119.08581	21.5
121.06509	3.7
121.10152	15.6
123.08111	3.1
123.11735	2.8
125.09625	22.7
129.06978	4.0
130.07852	2.8
131.04958	1.9
131.08575	18.8
133.10139	100.0
135.08089	2.4
135.11688	6.2
141.07054	1.8
143.08627	2.3
145.10127	24.0
147.11703	14.3
149.09613	3.4
149.13268	2.7
157.10185	2.5
159.08055	3.7
159.11699	24.7
161.09622	1.7
161.13274	13.8
163.11174	5.5
173.13278	5.9
174.06752	4.4
175.14854	2.4
177.09082	18.5
177.12720	2.0
177.16365	1.7
189.09163	4.0
194.94415	1.6
201.09155	2.7
201.12973	1.8
201.16408	18.8
201.20421	4.0
203.14339	4.7
219.06635	3.1
219.10201	6.9
219.13840	4.9
219.17465	41.9
219.21518	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	219.1746
Annotation	(+-)-(E)-Nuciferol
Peak:m/z	Relative Intensity
53.03949	1.8
55.01865	1.8
55.05519	9.4
57.07081	2.8
67.05515	10.9
69.03419	2.0
69.07069	8.1
70.06597	1.9
70.20862	6.1
71.04993	12.3
72.15811	1.4
79.05497	11.0
80.54874	1.9
81.07063	37.3
83.04985	5.3
83.08646	1.5
88.07626	3.6
91.05484	28.8
93.07049	26.7
95.04980	2.6
95.08599	19.2
97.06541	8.6
97.10184	2.4
98.20829	1.7
98.97567	1.7
99.08126	1.8
103.05496	2.7
105.07040	75.8
107.08587	21.2
107.59413	1.6
109.06503	4.1
109.10143	8.8
111.08092	1.9
115.05435	2.2
117.07000	11.0
119.08581	21.5
121.06509	3.7
121.10152	15.6
123.08111	3.1
123.11735	2.8
125.09625	22.7
129.06978	4.0
130.07852	2.8
131.04958	1.9
131.08575	18.8
133.10139	100.0
135.08089	2.4
135.11688	6.2
141.07054	1.8
143.08627	2.3
145.10127	24.0
147.11703	14.3
149.09613	3.4
149.13268	2.7
157.10185	2.5
159.08055	3.7
159.11699	24.7
161.09622	1.7
161.13274	13.8
163.11174	5.5
173.13278	5.9
174.06752	4.4
175.14854	2.4
177.09082	18.5
177.12720	2.0
177.16365	1.7
189.09163	4.0
194.94415	1.6
201.09155	2.7
201.12973	1.8
201.16408	18.8
201.20421	4.0
203.14339	4.7
219.06635	3.1
219.10201	6.9
219.13840	4.9
219.17465	41.9
219.21518	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	219.1747
Annotation	(1R-cis)-4-(1,2-Dimethyl-3-methylenecyclopentyl)-1,4-cyclohexadiene-1-methanol
Peak:m/z	Relative Intensity
53.03947	3.8
55.05524	10.7
57.03453	2.1
57.07075	3.7
59.05010	2.7
67.05516	13.0
69.03435	6.6
69.07082	13.7
70.65186	4.3
70.65533	1.5
71.04986	3.0
71.05617	1.2
72.08175	10.6
73.06528	1.9
78.17479	1.3
79.05505	12.8
81.07076	23.9
83.04990	5.3
83.08626	4.6
85.06577	1.9
86.09718	1.5
86.51253	1.3
91.05489	18.7
93.07056	34.4
95.01287	1.4
95.04989	4.8
95.08624	26.0
95.09190	2.8
97.06564	4.1
97.10207	2.6
98.97599	3.5
102.04710	1.5
103.03979	1.8
103.05441	2.4
105.07052	42.0
107.04967	2.5
107.08617	26.8
109.06520	6.7
109.10183	9.6
111.08108	4.3
115.05478	4.5
117.07031	15.6
119.08599	31.9
121.06522	13.6
121.10161	21.6
123.08063	7.0
123.11696	3.5
125.09608	3.6
128.06264	3.5
129.07043	9.4
130.04135	2.9
130.07811	3.4
131.01907	2.2
131.04932	3.5
131.08588	33.4
133.06502	1.4
133.10161	22.7
135.08044	5.1
135.11703	13.1
137.09633	2.5
141.06975	8.2
143.08560	3.8
144.09378	3.3
145.06528	14.9
145.09068	2.7
145.10149	42.4
146.06020	2.8
146.10843	1.3
147.04453	1.7
147.08080	3.1
147.11748	11.0
149.05974	3.1
149.09631	6.3
149.13235	3.9
151.11186	3.7
155.08533	2.6
157.06532	3.1
157.10133	4.8
158.03638	3.0
158.07301	3.9
158.10919	4.4
159.03009	2.2
159.04375	2.4
159.08115	10.4
159.11720	32.6
160.05301	2.3
161.06000	4.2
161.09663	3.6
161.13272	20.7
161.43855	1.5
163.07639	3.3
163.11206	14.3
163.14815	1.5
169.03539	1.8
169.06531	2.6
170.07298	1.9
171.11682	2.1
173.02867	1.7
173.05980	14.3
173.09712	4.8
173.13297	16.9
174.06775	12.2
175.07579	2.7
175.11258	1.8
175.14841	17.3
177.05486	3.5
177.09119	1.7
177.12729	4.2
177.16464	2.2
186.06805	4.2
187.03961	1.5
187.07439	1.8
189.09122	13.7
189.16324	1.6
191.07022	3.4
191.10680	3.7
191.14316	4.8
191.17986	5.8
201.05495	13.3
201.09123	6.9
201.12802	5.6
201.16411	39.7
202.16754	1.8
203.14308	11.2
219.06599	5.8
219.10144	22.4
219.14101	16.0
219.17471	100.0
220.17708	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	219.1747
Annotation	Occidol
Peak:m/z	Relative Intensity
51.51512	1.5
53.03918	2.0
55.01881	1.6
55.05499	7.6
55.05730	1.4
57.07055	2.2
60.73315	1.6
67.05513	10.5
69.03442	1.8
69.07059	8.4
70.55049	5.3
71.04981	7.4
72.08138	2.2
79.05501	11.1
81.07067	19.6
83.04965	6.6
83.08587	1.7
91.05496	23.8
93.07056	20.2
94.08619	1.8
95.04971	3.7
95.08610	19.7
96.90402	1.9
97.06515	3.3
103.05473	3.9
105.06320	1.8
105.07037	36.4
107.04932	3.2
107.08597	18.1
109.06522	5.4
109.10180	11.3
111.08071	2.6
115.05470	14.5
116.06241	5.9
117.07051	12.1
119.08592	26.5
119.60217	1.9
121.06501	5.2
121.10132	13.5
123.08059	3.8
123.11655	5.5
125.09618	4.4
128.05388	1.5
128.06181	10.3
129.07024	51.0
130.04128	1.8
130.07788	6.2
131.04942	9.9
131.08583	52.4
133.10133	32.3
135.08049	4.4
135.11711	11.3
137.05974	3.7
137.09616	2.3
141.06998	37.3
143.08557	5.3
144.05701	10.0
144.09337	2.0
145.06502	12.3
145.09074	2.7
145.10132	32.8
146.07262	5.3
147.11676	7.6
148.05223	2.4
149.05920	2.5
149.09601	5.1
149.13184	2.2
157.06525	26.2
158.03665	1.9
158.07286	22.9
159.04398	4.4
159.08064	34.8
159.11711	26.3
160.05191	6.7
161.05891	2.6
161.09608	5.3
161.13258	16.6
163.07518	5.9
163.11159	8.6
168.05756	2.2
169.06493	16.3
170.07245	8.1
171.08133	1.8
173.05981	8.3
173.09673	2.9
173.13252	14.1
174.06772	87.2
175.07579	13.8
175.11089	1.7
175.14882	7.8
177.08989	1.9
177.12772	3.1
177.16441	4.1
186.06776	17.0
187.07603	5.6
188.08296	2.8
189.09120	98.6
190.09512	3.1
191.10672	7.6
191.14258	2.2
201.05490	3.9
201.09125	46.7
201.12877	3.7
201.16376	18.9
203.14349	6.0
219.10176	100.0
219.13785	9.7
219.17451	53.4
220.17586	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1745
Annotation	(+-)-(E)-Nuciferol
Peak:m/z	Relative Intensity
53.03934	4.0
55.05515	10.2
57.03439	4.5
57.07050	3.0
64.60066	1.7
67.05249	1.6
67.05511	19.1
69.03418	3.3
69.07069	12.3
69.81094	5.7
69.81503	3.9
71.04994	16.2
72.08130	1.9
79.05493	16.7
81.03403	1.9
81.07063	35.1
83.04972	6.5
83.08630	5.7
85.06537	4.6
90.59658	1.7
91.04914	1.9
91.05486	34.6
93.06482	3.0
93.07050	38.5
93.07636	2.8
95.04951	4.3
95.08624	28.3
96.90961	1.5
97.06519	6.4
97.10191	1.8
99.08105	1.8
103.05448	2.6
105.07040	95.1
107.04980	2.4
107.08607	32.2
109.06537	5.1
109.10168	24.5
111.08094	5.2
113.09692	1.7
115.05462	7.3
116.06277	2.7
117.06362	2.0
117.07037	27.5
119.08591	41.7
121.06499	4.1
121.10140	21.2
123.08060	7.7
123.11738	11.5
125.09661	13.6
128.06250	4.9
129.07002	21.8
130.07840	2.5
131.04903	4.0
131.08586	46.8
133.10141	100.0
134.10405	2.2
135.08066	5.3
135.11705	12.9
137.05904	1.9
137.09625	4.2
141.07007	15.6
143.08551	5.4
144.05675	3.2
144.09337	3.8
145.06476	5.7
145.10143	46.8
145.11201	1.6
146.07274	3.8
147.11685	17.4
149.09610	7.3
149.13391	1.7
151.11101	2.0
157.06477	9.7
157.10136	5.2
158.07291	8.8
158.10934	2.6
159.04449	3.1
159.08089	14.9
159.11703	57.6
160.05272	2.9
160.11978	2.2
161.09581	3.6
161.13283	17.2
163.07491	2.6
163.11159	9.8
169.06483	5.0
170.07265	2.6
173.05872	4.5
173.09557	2.2
173.13275	26.4
174.06769	31.2
175.07529	10.8
175.14844	9.3
177.09210	2.3
177.12801	5.2
177.16408	3.3
186.06786	7.6
189.09108	38.7
191.10614	3.9
191.14293	4.8
191.17924	2.6
201.09135	15.7
201.12767	6.1
201.16403	38.8
203.14308	5.9
219.06566	2.4
219.10182	39.8
219.14079	13.9
219.17451	90.2
220.17642	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	219.1383
Annotation	(2R)-Pterosin B
Peak:m/z	Relative Intensity
53.03949	2.2
53.19938	1.4
55.01874	3.4
55.05502	5.2
57.07067	1.4
65.03930	2.4
67.05194	1.3
67.05515	17.9
69.03412	4.1
69.07089	7.7
70.96007	3.5
73.02909	4.1
79.05081	1.9
79.05502	22.6
81.07066	37.3
83.05000	1.9
83.08595	1.9
91.05490	37.1
93.03441	2.1
93.07048	29.2
95.04951	3.3
95.08615	17.0
97.02890	4.8
97.06535	3.5
103.05472	1.9
105.07044	48.6
107.04982	2.2
107.08600	18.9
109.06529	4.6
109.10166	6.2
111.04440	4.1
111.08024	2.3
115.05444	5.1
116.06258	1.8
117.07038	33.4
119.08591	37.7
121.06516	4.7
121.10133	6.0
123.08067	2.0
125.05997	4.3
128.06215	2.4
129.07011	10.1
130.07788	3.6
131.08580	71.1
133.06503	2.6
133.10135	23.6
134.10962	1.7
135.04402	2.6
135.08034	6.4
135.11697	2.2
137.05995	3.0
141.07014	3.8
142.07822	1.8
143.08589	9.0
144.09363	4.6
145.06514	8.2
145.10143	52.1
147.08069	2.2
147.11703	45.1
149.05972	6.6
149.09547	1.9
151.07611	2.4
153.07019	2.5
155.08546	6.8
157.10135	6.9
158.10931	10.6
159.08104	11.0
159.11702	27.3
161.09599	4.2
161.13342	1.7
163.07594	12.1
168.09369	8.0
173.09616	3.9
173.13280	100.0
175.14853	2.7
177.09132	4.1
177.12741	3.4
183.11705	13.0
189.09088	2.3
191.14349	3.9
201.12770	53.4
219.10437	2.4
219.13823	62.3
219.17107	9.5
220.14018	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1342
Annotation	H-Ser-Leu-OH
Peak:m/z	Relative Intensity
55.01892	1.4
55.05518	1.2
56.96568	5.8
57.03446	1.4
58.64246	0.5
59.05000	0.9
60.04529	100.0
61.02933	1.4
67.05505	1.3
69.03441	1.8
69.07074	2.0
69.55275	4.2
70.02955	1.5
70.06622	1.2
71.01361	2.4
72.08159	6.6
73.02914	0.8
73.06570	0.7
74.93153	0.7
75.04485	1.9
79.05529	0.9
81.03394	0.6
81.07077	0.9
83.04994	1.3
84.08125	1.0
84.96049	1.9
85.02916	2.8
86.09710	71.6
87.04462	1.7
87.05599	3.8
87.10069	0.8
89.02362	0.6
90.05566	2.1
91.05506	1.0
95.04979	1.1
95.08640	0.8
97.02901	2.3
98.06033	0.6
98.97593	16.7
98.98217	1.2
101.00936	0.8
103.03952	2.3
105.07006	1.5
107.00794	0.7
107.08581	1.0
110.97573	3.4
116.98622	4.6
117.07040	0.8
119.08587	1.8
121.10143	1.8
128.07109	1.1
128.10750	2.4
128.98558	1.8
131.03415	0.7
131.08531	1.4
132.10210	48.1
133.10158	1.4
134.99620	1.2
135.11734	0.6
136.93108	0.9
144.98102	0.7
145.10161	1.2
146.06029	1.0
147.08055	0.8
147.11708	1.2
154.94217	1.1
158.99675	3.3
159.02921	2.5
159.11693	0.8
162.05463	0.9
172.95401	0.8
173.02855	0.6
173.09654	1.1
173.12854	23.7
177.00719	2.0
189.00746	0.7
201.05405	0.7
201.09232	0.7
201.12297	3.9
202.10745	2.2
203.14314	5.1
219.01584	1.0
219.06543	1.7
219.11389	0.6
219.13406	8.6
219.17426	19.2
237.02769	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1018
Annotation	1,2,3-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
52.44255	0.9
57.03429	1.4
67.05488	1.7
71.24339	0.8
71.24671	1.8
79.05482	2.0
81.07060	2.0
85.72678	0.9
91.05486	11.6
93.07034	1.8
95.08559	1.0
103.05455	3.3
105.07023	3.8
107.08574	1.9
115.05467	10.5
116.06211	3.0
117.06994	3.4
119.04816	0.8
119.08573	1.9
121.06480	1.3
121.10137	1.9
128.06230	10.5
129.07008	45.4
130.07748	2.3
131.04924	9.8
131.08572	42.2
133.10114	2.6
135.08005	1.7
137.05972	4.2
141.07004	37.9
142.07362	1.2
143.04901	2.7
143.08524	2.5
144.05698	5.7
145.06499	8.3
145.10095	2.7
145.44409	0.9
146.07269	6.4
147.11665	1.3
148.05186	1.3
155.06012	1.6
155.08537	1.1
157.06496	24.2
157.07767	1.6
158.07285	25.3
159.04410	3.2
159.08063	27.7
159.11726	1.0
160.05202	5.9
161.05923	1.3
161.09612	4.8
161.13211	1.3
163.07564	2.6
168.05719	1.4
169.06476	14.2
169.07654	1.0
170.07291	8.7
171.07964	1.1
172.45171	0.9
173.06049	4.3
173.09535	1.5
174.06772	80.9
175.07527	11.3
176.08116	1.3
183.08147	1.5
185.06010	2.1
186.06767	22.8
187.07465	1.8
188.08333	4.1
189.09119	100.0
190.09499	1.5
191.07022	2.0
191.08839	1.6
191.10626	8.3
201.09108	41.9
201.16382	1.3
203.14325	6.4
219.10165	96.8
219.13715	3.0
219.17442	21.8
219.21483	1.0
220.10547	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	219.1018
Annotation	1,2,4-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
50.46623	1.6
50.46863	1.5
55.05511	2.9
57.03422	3.1
57.07068	2.1
58.20928	1.5
67.05501	3.1
69.03428	1.8
69.07058	3.0
69.86200	8.7
74.15695	1.4
79.05480	2.8
81.07053	4.3
91.05486	14.1
93.07008	4.8
95.08599	3.7
97.74369	1.5
98.20744	2.3
103.05472	3.6
105.07024	6.2
107.08561	5.4
109.06519	1.8
109.10171	2.2
115.05467	12.7
116.06251	3.5
117.07026	4.6
119.08572	6.7
121.06510	1.9
121.10137	5.2
123.08079	1.7
128.06216	12.2
128.82259	1.9
129.07013	49.2
130.07817	3.9
131.04958	10.6
131.08572	44.6
133.10153	3.7
135.11713	2.5
137.06017	3.5
141.05988	3.0
141.06999	38.2
143.04909	2.0
143.08557	2.6
144.05716	6.7
145.06476	9.7
145.10112	6.2
146.07257	5.7
149.13348	1.8
155.04973	1.6
155.06061	1.7
156.05745	2.5
157.06506	24.9
158.07275	22.9
159.04440	5.2
159.08086	29.6
159.11665	5.4
160.05193	6.1
161.09642	5.1
161.13272	3.4
163.07550	2.1
169.06458	16.5
169.07658	2.0
170.07228	7.9
171.04364	1.7
171.07916	1.8
173.06030	5.8
173.09662	3.2
174.06779	86.8
175.07585	11.9
182.10835	1.5
186.06763	22.5
187.07448	3.5
188.08307	5.2
189.09117	100.0
190.09557	2.1
191.06999	1.9
191.08751	1.9
191.10663	9.4
201.09116	44.5
201.16309	2.3
203.14331	11.9
219.10162	94.5
219.13768	4.6
219.15482	3.0
219.17447	55.5
219.21547	2.5
220.10408	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	219.1017
Annotation	1,2,4-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
53.03920	1.4
55.01854	2.2
55.05523	7.2
57.03434	2.9
57.07067	2.5
60.61798	1.2
62.09502	1.2
67.05507	9.4
69.03422	4.5
69.07083	6.4
69.89562	6.9
71.04964	1.9
72.08141	4.7
75.56268	1.2
79.05500	11.8
81.03398	1.4
81.07056	19.5
83.04981	2.6
83.08617	2.3
85.06511	2.0
86.09679	1.3
91.05492	27.4
93.07055	19.1
95.04972	3.4
95.08611	15.7
96.52693	1.3
97.06507	2.2
98.21493	2.1
102.04696	1.6
103.05464	4.9
105.07035	28.9
107.04938	4.3
107.08584	15.4
107.96780	1.2
109.06518	5.7
109.10151	9.5
111.04424	2.3
111.08104	2.9
113.28294	1.4
115.05462	15.3
116.06216	5.1
117.07029	13.0
119.04939	2.7
119.08591	19.8
120.08090	1.8
121.06503	5.0
121.10155	13.5
123.08059	5.1
123.11667	3.1
128.06255	13.2
129.07018	48.4
130.04161	2.1
130.07758	5.6
131.04945	9.7
131.08569	57.5
133.06485	1.4
133.10117	15.0
135.08052	3.7
135.11684	6.0
137.05981	5.0
141.07001	37.4
143.04863	2.4
143.08536	8.0
144.05690	8.0
144.09300	1.5
145.06508	15.5
145.10147	28.6
145.11282	2.1
146.07297	6.1
147.08047	2.8
147.11649	5.9
148.05215	2.8
149.05965	1.6
149.09610	4.3
149.13225	2.7
151.07576	1.6
153.06921	1.6
155.08554	2.3
157.06511	23.1
157.10086	4.2
158.03593	2.1
158.07286	25.0
159.04408	4.9
159.08058	30.2
159.10451	2.3
159.11700	28.0
160.05226	5.4
161.05963	3.3
161.09576	8.1
161.13272	11.5
163.07518	3.8
163.11151	7.7
169.06464	16.8
169.07646	2.3
170.07257	8.3
170.98640	1.4
171.08034	1.6
173.06007	14.0
173.09618	4.3
173.13257	11.8
174.06787	79.2
175.07564	14.1
175.14819	4.9
177.05354	1.8
177.08995	1.4
177.12733	3.6
177.16302	2.7
183.11737	1.9
186.06783	23.3
187.07512	5.3
188.08325	3.8
189.09119	100.0
191.07010	1.7
191.10681	7.8
191.14217	1.7
191.17982	2.2
201.05515	9.6
201.09105	40.7
201.12735	4.7
201.16385	21.0
203.14345	8.1
219.06575	5.1
219.10168	95.4
219.13457	13.4
219.17441	60.5
220.10652	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1017
Annotation	1,2,4-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
53.03935	2.0
55.05507	5.8
57.03421	2.0
57.07045	1.7
65.03924	1.3
67.05517	9.9
69.03416	1.7
69.07066	6.1
69.97416	5.2
71.04979	4.9
79.05489	8.4
81.07055	15.0
83.04963	2.7
83.08602	2.1
88.65676	1.4
91.05482	22.1
91.58664	1.3
93.07047	15.3
95.04967	2.2
95.08604	10.4
97.06523	1.8
103.05453	3.6
105.03387	4.1
105.07035	30.1
107.08607	12.8
109.06506	1.6
109.10139	10.1
111.08067	2.4
115.05451	11.5
116.06226	2.8
117.07021	14.6
119.08597	18.6
121.06469	3.2
121.10155	11.3
123.11715	4.9
125.09634	4.2
128.06229	14.1
129.07013	43.6
130.07768	5.2
131.04913	8.2
131.08572	53.2
133.10132	27.2
135.08003	3.0
135.11688	4.9
137.05969	5.2
137.09621	1.6
141.06995	38.5
142.07741	1.4
143.04930	1.3
143.08557	3.7
144.05710	8.4
144.09346	1.3
145.06503	9.7
145.10112	19.3
146.07271	5.6
147.11716	5.4
148.47794	1.2
149.05974	1.7
149.09550	1.3
149.13228	1.8
151.11139	1.7
155.06073	1.9
157.06488	23.8
157.10098	2.1
158.07281	21.2
159.04417	2.9
159.08064	29.1
159.11700	27.5
160.05193	5.5
161.05930	1.8
161.09607	5.1
161.13284	8.6
163.07541	3.2
163.11206	4.2
169.06467	13.7
169.07681	2.1
170.07262	6.1
173.05943	4.1
173.09637	2.6
173.13280	9.6
174.06775	83.8
175.07533	13.2
175.14832	4.7
177.05530	1.8
177.09064	1.6
177.12813	1.9
177.16341	2.1
186.06752	19.0
187.07500	1.8
188.08334	4.1
189.09120	100.0
190.09441	1.3
191.06996	1.6
191.10683	6.8
191.14249	1.5
191.17888	2.6
201.05371	3.0
201.09113	38.9
201.12752	2.6
201.16431	16.4
203.14360	2.1
219.10165	99.1
219.13779	6.4
219.17424	35.5
220.10512	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	219.1017
Annotation	Bitalin A
Peak:m/z	Relative Intensity
53.03944	1.6
55.01871	1.6
55.05525	2.8
57.03416	1.9
57.07066	2.4
61.58599	1.3
67.05499	7.1
69.03414	1.4
69.07055	4.5
70.06581	1.4
70.65618	2.6
72.08127	1.7
74.94236	1.2
75.05716	1.3
79.05484	5.8
81.03407	1.6
81.07062	8.4
83.04984	2.9
91.05483	18.3
93.07047	9.7
95.04958	1.7
95.08605	6.8
103.03879	1.2
103.05511	6.4
105.07031	13.3
107.04953	1.6
107.08582	7.8
109.06504	3.0
109.10150	3.9
111.04433	2.4
115.05461	12.8
116.06240	5.5
117.07030	9.0
119.08582	12.6
121.06502	3.5
121.10157	9.8
123.11620	1.9
128.06232	14.6
129.07016	48.4
130.07738	2.5
131.04921	14.5
131.07607	2.5
131.08578	44.7
132.08963	1.5
133.10144	9.3
135.04463	1.6
135.08057	5.1
135.11681	3.9
137.05968	5.1
141.06999	44.3
142.07622	1.5
143.04890	3.0
143.08543	5.1
144.05728	7.7
145.06485	9.0
145.10117	11.2
146.07246	4.6
147.11688	2.7
149.05934	2.1
149.09633	1.9
149.13161	1.8
155.06038	1.8
157.06500	19.7
157.10188	1.6
158.07285	22.3
159.04393	4.3
159.08072	29.0
159.11678	10.7
160.05171	5.5
161.05898	1.6
161.09583	5.3
161.13217	6.6
163.07550	4.4
163.11127	1.8
163.14775	1.7
168.05762	1.3
169.06464	17.5
169.07701	1.5
170.07286	10.1
171.04391	2.1
173.05965	5.8
173.09595	3.6
173.13240	7.1
174.06776	82.6
175.07545	13.0
175.14769	3.4
177.09059	5.3
177.12683	1.6
183.08075	1.6
186.06764	21.5
187.07523	3.0
187.11240	2.2
188.08313	3.4
189.09126	97.3
190.09380	2.0
191.06943	2.0
191.08490	3.1
191.10631	6.6
201.05400	1.4
201.09102	41.4
201.12839	2.9
201.16345	6.3
203.14320	21.1
204.09546	1.6
205.15833	1.7
219.06511	3.1
219.08202	6.0
219.10143	100.0
219.13780	11.6
219.17450	82.2
219.19028	1.1
219.19600	1.5
219.21243	5.0
220.10541	3.5
225.67287	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1017
Annotation	1,2,3-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
53.19934	1.0
55.05507	1.4
57.03452	1.6
67.05502	1.9
70.28851	3.3
72.73715	1.1
79.05489	1.8
81.07050	3.6
91.05477	17.3
93.07047	3.0
95.08594	4.3
96.13473	1.1
103.05451	3.1
103.67232	1.2
104.05713	1.1
105.07023	6.8
107.08614	2.7
109.10159	2.1
112.79724	1.2
115.05463	13.0
116.06249	3.9
117.07013	4.8
119.08586	2.8
121.10149	2.4
125.09740	1.2
128.06229	11.7
129.07018	45.7
130.07761	4.4
131.04964	8.1
131.08583	42.5
133.10144	5.9
135.11678	1.7
137.05981	4.4
141.07002	37.1
143.04944	2.6
143.08583	3.7
144.05724	7.8
145.06459	7.6
145.10133	5.0
146.06210	1.3
146.07274	6.4
147.11629	1.6
157.06505	25.9
158.07289	22.8
159.04414	4.0
159.08090	26.4
159.11699	4.8
160.05200	5.9
161.05984	1.6
161.09615	5.3
161.13220	1.7
163.07568	2.2
169.06470	17.8
169.07640	1.6
170.07300	8.7
171.08075	2.4
173.05975	4.3
173.09636	1.6
173.13254	2.8
174.06786	87.8
175.07576	13.9
180.25989	1.1
183.08179	1.2
186.06773	18.4
187.07594	1.7
188.08324	3.6
189.09128	100.0
190.09564	2.5
191.07037	1.9
191.10706	8.2
201.09116	39.1
201.16400	2.8
219.10184	98.0
219.13657	2.7
219.17407	9.7
220.10426	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1018
Annotation	1,2,4-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
53.03925	1.5
55.01867	1.6
55.05521	5.7
56.96555	1.3
57.03438	1.5
57.07061	1.8
59.04977	1.5
63.32958	1.0
65.03898	1.1
67.05507	9.2
69.03432	1.3
69.07076	6.6
70.78965	2.3
70.79290	1.1
71.05003	4.7
72.08144	1.1
74.48490	0.9
77.03917	1.0
79.05494	7.3
79.70247	0.9
81.03400	1.2
81.07054	14.3
83.04961	1.6
83.08628	2.4
83.74680	1.1
85.02887	1.3
85.06536	1.7
91.04983	1.6
91.05490	22.0
93.07043	14.7
95.04969	1.9
95.08607	13.8
97.06523	2.7
97.10207	1.1
98.97585	4.1
103.05454	4.8
104.53111	1.0
105.06401	1.6
105.07042	23.6
107.04931	1.0
107.08595	22.5
109.06509	3.0
109.10171	9.9
111.08062	1.4
115.05460	13.8
116.06260	5.1
117.07014	11.4
119.08584	17.9
121.06516	4.3
121.10136	13.0
123.08039	3.1
123.11687	3.1
125.09624	2.8
128.06236	12.5
129.06038	1.7
129.07010	44.5
130.07767	4.2
131.04936	10.1
131.08575	48.6
133.06461	1.7
133.09131	1.4
133.10132	23.4
135.08032	3.1
135.11691	6.8
137.05971	3.5
137.09622	2.7
141.06998	41.6
142.07695	0.9
143.04956	1.8
143.08565	5.1
144.05719	6.7
144.09285	1.3
145.06516	8.7
145.09070	1.4
145.10127	18.2
146.07265	6.7
147.04442	1.4
147.08044	1.7
147.11703	9.4
148.05244	1.6
149.09612	2.1
149.13269	1.6
151.11159	1.1
155.06047	2.0
156.05737	1.3
157.06503	21.9
157.10210	2.9
158.07283	24.8
159.04416	4.0
159.08076	33.1
159.10483	1.1
159.11711	17.8
160.05183	7.2
161.05992	2.0
161.09622	5.3
161.13258	10.4
163.07593	2.7
163.11197	10.6
168.05638	1.6
169.06459	14.0
169.07700	1.4
170.07257	6.2
171.08081	1.0
173.05995	5.1
173.09676	2.7
173.13272	9.0
174.06776	79.5
175.07535	14.1
175.14825	3.7
177.09087	1.7
177.12799	1.6
177.16243	1.5
178.50060	1.1
182.17598	1.0
186.06766	20.6
187.07524	4.8
188.08344	3.6
189.09113	99.2
190.09534	2.1
191.07011	1.4
191.09030	1.2
191.10649	8.5
191.14375	1.5
191.17918	3.3
201.05391	1.4
201.09114	44.3
201.12753	3.7
201.16376	15.8
203.14345	5.9
209.24683	1.0
219.06587	3.2
219.10164	100.0
219.13759	7.2
219.17439	45.6
219.19635	1.3
220.10500	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1953
Annotation	(+)-Vulgraon B
Peak:m/z	Relative Intensity
53.03950	1.0
54.99135	0.8
55.05514	7.2
57.07066	1.3
65.03941	1.3
67.05188	1.0
67.05514	14.7
69.07080	17.2
70.15636	3.2
73.22905	0.8
79.05496	6.6
81.06597	1.1
81.07066	23.0
83.04975	2.6
83.08640	6.2
87.04425	1.0
91.05482	8.1
93.07055	12.6
95.08617	55.9
97.10194	1.3
101.06022	2.2
105.07040	28.4
105.93838	0.7
107.08605	32.4
109.06456	0.8
109.10167	38.5
110.07172	0.9
111.04448	3.8
119.08591	26.2
121.10155	28.6
123.11713	13.6
127.07580	1.0
133.10149	13.2
135.11699	5.8
137.13226	2.0
145.10170	0.7
147.11699	27.5
149.13243	2.8
155.07018	4.4
159.11691	1.5
161.13272	41.5
162.13824	1.0
172.26561	0.9
173.08122	2.0
173.13206	0.9
175.14845	7.1
189.16396	5.3
217.10638	1.6
217.19537	100.0
218.19873	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1953
Annotation	(+)-Vulgraon B
Peak:m/z	Relative Intensity
51.72621	1.4
55.05510	18.3
65.03953	1.4
67.02982	2.1
67.05505	20.6
69.07069	20.6
71.29059	2.2
79.05492	9.2
81.04557	1.3
81.07059	29.2
83.04979	14.0
83.08625	6.6
83.39904	1.1
84.66398	1.2
87.04464	1.5
89.02383	2.1
89.06035	2.6
91.05489	13.3
93.07043	17.5
93.59301	1.2
95.06097	1.6
95.08611	64.5
99.04476	1.3
101.05994	4.3
104.53004	1.5
105.06313	1.7
105.07037	41.8
107.08605	36.2
109.10160	49.4
110.07188	1.7
111.04451	21.5
111.08009	1.5
113.06036	2.7
119.08588	38.7
121.10150	32.4
123.11723	18.4
127.07536	1.8
128.05405	1.3
129.05490	3.0
129.06985	2.0
131.08601	1.8
133.10123	18.5
134.07092	3.3
135.06674	2.2
135.11736	6.1
136.07433	2.2
145.10222	1.8
147.11696	33.5
148.08678	1.5
149.08176	1.3
149.13261	3.0
155.07043	23.2
159.11702	2.7
161.13266	51.8
173.08096	14.8
175.09792	2.1
175.14787	6.7
176.09329	3.0
177.10097	1.7
189.16414	5.2
192.60080	1.2
199.09737	2.2
217.10434	16.9
217.12254	4.9
217.19528	100.0
218.19656	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.159
Annotation	Orobanone
Peak:m/z	Relative Intensity
55.05519	5.0
57.07064	2.7
59.05001	0.7
60.81384	0.7
61.06467	0.8
67.05504	1.7
67.08659	0.7
68.48454	0.7
69.07078	4.3
69.95563	2.5
69.95972	1.7
70.06591	1.4
79.05493	2.6
81.07069	2.2
83.04978	4.1
83.08607	1.5
83.41296	0.9
87.04462	0.7
88.07629	2.0
91.05485	8.6
93.07039	2.8
95.05039	0.8
95.08627	3.5
97.06518	0.8
97.10193	0.7
101.06018	1.7
105.03400	1.2
105.07038	8.9
106.08726	1.1
107.08609	6.3
109.06464	1.0
111.04436	5.5
115.05464	2.4
117.07026	7.0
117.54317	0.8
118.60880	0.7
119.08600	12.0
121.06509	1.5
121.10192	1.8
123.08046	1.0
128.06239	2.2
129.05525	1.0
129.07024	20.7
130.07851	1.1
131.08568	5.2
133.10132	10.1
135.08046	2.0
137.09593	2.3
141.07013	2.6
142.07788	29.2
143.08578	5.5
145.10141	5.3
146.07283	2.8
147.08061	32.1
147.09125	1.8
147.11681	6.1
155.07047	7.3
155.08562	2.1
156.05734	2.1
156.09367	2.0
157.10144	100.0
158.10519	1.3
159.11703	4.1
161.09634	24.9
161.13206	0.9
171.11674	1.8
173.08151	4.1
173.09503	1.1
173.13263	1.8
175.11198	9.6
175.14828	2.6
189.12766	1.2
189.16393	7.2
199.14838	37.8
200.15225	1.2
217.08595	2.5
217.10614	1.9
217.12581	1.1
217.15891	22.3
218.21135	8.7
230.74689	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.1433
Annotation	3,4-Dihydro-5-methyl-8-isopropyl-2-naphthalenecarboxaldehyde
Peak:m/z	Relative Intensity
50.53902	1.3
53.03956	3.2
55.01867	2.1
55.05502	5.5
56.82446	1.4
57.03424	1.6
57.07079	2.4
60.85099	1.2
67.05502	7.2
69.03416	4.3
69.07076	7.2
70.06593	2.6
71.01659	2.4
71.02003	1.9
71.05003	3.1
74.80402	1.5
79.05502	8.3
81.03426	5.0
81.07066	12.4
83.04984	1.8
91.05489	17.5
93.07050	13.6
95.04963	8.0
95.08614	8.5
97.02928	1.3
97.06548	2.1
98.97607	1.9
103.05505	1.9
105.03406	1.5
105.07043	23.9
107.04953	1.9
107.08611	12.4
109.06512	5.2
109.10174	2.5
115.05474	4.7
116.06239	1.8
117.07039	12.8
119.08599	18.5
121.06527	7.2
121.10210	2.0
123.08079	2.3
128.06232	6.9
129.07002	13.2
130.07802	4.5
131.04872	1.5
131.08577	29.0
132.95839	4.3
133.10147	9.7
135.08066	4.2
135.11742	1.4
141.07013	11.0
142.07779	13.0
143.08580	21.1
144.05705	3.1
144.09300	4.4
145.06471	6.5
145.10138	51.0
147.11687	1.8
150.96886	4.1
153.07028	3.7
154.07813	4.3
155.08556	24.0
156.09370	12.9
157.10152	25.5
158.07291	4.2
158.10905	3.8
159.08070	20.0
159.11693	26.3
160.08818	1.8
163.54222	1.5
167.08578	10.5
168.09280	1.5
169.10133	18.1
170.10869	2.2
171.08076	1.7
171.11729	18.0
172.08836	4.9
172.12480	4.3
173.03096	1.3
173.09648	27.9
173.13260	19.6
179.10716	1.6
182.10950	14.0
185.09694	3.0
185.13196	2.7
186.10442	3.5
187.07526	2.7
187.11157	6.8
187.14827	21.2
191.97147	1.9
197.11552	2.7
197.13277	33.3
200.11873	3.5
215.07056	3.1
215.10793	7.4
215.14333	100.0
216.12404	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	214.2531
Annotation	Medelamine A
Peak:m/z	Relative Intensity
56.05014	2.6
56.96567	2.5
57.07080	64.4
61.12817	2.4
65.06529	2.4
66.25494	2.6
67.05476	2.7
69.07049	2.7
70.06576	2.6
71.01334	2.6
71.04985	3.9
71.08637	40.7
71.18175	4.0
71.18493	2.6
72.93786	4.3
74.09698	4.1
76.85707	2.4
81.07034	3.1
82.06586	3.6
84.04499	4.6
84.08143	3.3
85.10196	17.5
86.06068	4.7
88.07628	2.6
90.90411	2.7
95.04953	4.9
98.06041	4.2
101.02364	6.8
105.07057	3.0
112.07616	4.1
123.34153	2.1
126.05518	3.4
131.08646	3.2
136.07576	2.4
140.07004	2.5
150.96893	3.4
154.08641	3.7
159.11578	2.4
171.69565	2.5
177.76233	2.9
179.08272	3.2
186.07640	9.8
187.11201	3.8
196.09695	3.5
198.43910	2.3
214.05113	4.0
214.07033	14.4
214.08968	3.2
214.10753	20.0
214.12727	4.4
214.22023	4.2
214.25296	100.0
215.10709	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	217.1436
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.3
55.01858	4.8
55.05275	2.7
55.05514	38.9
57.03451	2.2
57.07076	3.2
59.04990	7.5
65.03942	2.4
67.05505	12.1
68.65752	1.6
69.03436	8.1
69.07087	9.1
71.04997	8.8
71.30917	2.8
72.53034	1.7
73.02934	2.0
77.03941	2.0
79.05496	25.6
81.03408	5.8
81.07061	22.2
83.04501	2.6
83.04988	48.3
83.08612	2.5
85.06534	6.0
87.04450	5.4
89.02379	3.2
89.06007	4.5
91.04968	2.8
91.05484	28.9
93.07054	23.1
95.04955	6.4
95.08620	19.5
97.06525	7.6
99.04450	3.9
99.08073	2.0
101.06030	17.0
103.05452	3.1
105.07040	49.6
107.04980	20.4
107.08608	31.2
109.06545	12.3
109.10149	8.9
110.08689	1.8
111.04449	61.6
111.08083	3.0
113.05991	6.8
115.05433	6.8
117.07027	13.1
119.04921	2.3
119.06007	2.0
119.08590	41.1
121.06516	66.4
121.07382	3.7
121.10168	15.0
123.08106	9.1
123.11692	2.1
125.09634	2.6
127.07574	14.1
128.06216	10.6
129.05551	9.1
129.07021	20.2
130.07770	2.7
131.08586	34.6
133.06468	3.9
133.10139	22.9
135.08070	53.0
135.11751	2.6
137.09633	3.9
141.06981	5.3
142.07819	13.6
143.08565	31.5
144.09328	3.7
145.06581	1.7
145.10143	27.2
147.08073	10.8
147.11684	12.9
149.09639	21.1
153.09090	7.1
155.05777	3.8
155.07047	76.9
156.05727	9.7
156.09254	8.2
157.10147	38.2
158.07211	2.0
158.10876	2.7
159.08051	5.3
159.11705	26.3
161.05994	2.0
161.09630	16.1
161.13240	5.2
167.10683	8.0
169.10178	2.4
170.10916	2.8
171.08121	1.9
171.11707	23.7
173.08133	39.0
173.09520	3.4
173.13293	14.0
174.06799	3.3
174.08415	1.9
175.11185	14.4
175.14835	7.3
184.05096	2.3
184.12476	2.9
187.07513	3.0
189.05472	15.4
189.12752	6.4
189.16397	10.9
199.09647	4.5
199.11273	6.2
199.14830	35.7
202.06374	3.0
217.05090	9.7
217.08603	13.4
217.10696	31.7
217.12358	12.4
217.15883	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.1433
Annotation	3,4-Dihydro-5-methyl-8-isopropyl-2-naphthalenecarboxaldehyde
Peak:m/z	Relative Intensity
50.82769	1.2
53.03946	2.4
55.01876	1.5
55.05518	6.3
56.96552	2.0
57.07059	3.3
59.05000	1.2
65.03918	1.7
67.05507	8.0
69.03441	10.7
69.07069	9.2
70.06588	2.8
70.66068	2.9
71.04979	1.2
79.05499	8.3
81.07051	11.6
83.04987	1.9
85.06541	2.5
91.05486	17.8
93.07066	11.0
95.04958	4.5
95.08627	7.7
97.06522	1.8
98.97586	13.6
103.05424	1.6
105.07046	23.1
107.04963	1.8
107.08598	10.8
109.06532	2.9
109.10139	2.1
115.05466	4.9
116.05389	1.8
116.06226	1.8
116.77090	1.6
116.98644	3.0
117.07050	10.7
119.04941	1.3
119.08598	14.0
121.06514	9.2
121.10122	4.2
128.06242	13.0
129.07021	28.8
130.07785	6.1
131.04834	1.7
131.08585	47.2
132.95801	3.8
133.06503	2.9
133.10168	7.8
135.08118	2.9
137.09642	3.4
141.06999	10.8
142.07777	9.8
143.08572	28.5
144.05746	2.4
144.09213	1.3
145.06528	9.4
145.10136	44.8
147.08026	4.2
147.11679	5.8
153.07005	3.1
154.07813	3.2
155.08565	23.1
156.09386	4.8
157.06453	2.4
157.10159	19.6
158.07256	6.0
158.10924	3.5
158.99658	3.9
159.08072	28.1
159.11720	11.0
167.08585	9.1
168.09373	3.2
169.10115	10.7
171.11696	9.5
172.08832	5.1
172.12485	1.6
173.09657	33.2
173.13268	26.0
174.10069	1.7
177.00705	2.8
182.10942	10.3
184.12503	1.7
185.09624	2.9
185.13269	9.2
187.11166	6.2
187.14832	26.4
197.13292	29.4
200.11986	3.6
215.06979	3.0
215.10930	2.6
215.14336	100.0
216.14639	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	214.0422
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03962	0.6
55.01882	2.8
55.05513	2.3
56.96570	100.0
57.03439	10.5
60.95855	1.1
61.02934	15.8
65.03944	0.8
67.05521	1.1
68.00291	1.4
68.05035	1.0
69.03429	8.2
69.07065	0.8
70.06213	1.1
70.06598	21.9
70.98144	1.4
71.01363	2.9
71.04992	1.6
71.50411	0.8
71.95277	2.8
72.08160	1.5
72.96059	2.6
73.02923	11.3
74.00266	1.9
74.66017	0.7
74.97617	1.2
75.04501	1.9
77.00822	1.3
79.05508	0.8
81.03433	3.6
82.98109	0.7
82.99842	0.8
83.00791	4.0
83.04987	2.4
84.08141	1.6
84.96043	10.7
85.02914	14.0
86.03254	0.8
86.09713	1.3
86.97622	1.2
87.01037	1.3
87.04488	2.7
88.99103	0.6
89.00805	2.7
90.01572	1.5
91.03933	0.8
91.05479	0.8
92.01293	1.1
93.01049	1.1
94.02688	1.2
95.01366	2.4
96.01558	3.9
97.02901	7.7
97.07696	0.9
97.99214	1.1
98.01326	3.0
98.06071	1.0
98.97593	82.3
99.03905	0.6
99.04494	3.0
99.97943	1.2
100.02476	1.0
100.99156	20.3
101.00875	9.4
101.02354	0.9
102.01576	4.0
102.02234	0.9
102.96889	2.5
103.00648	1.4
103.02467	0.8
103.04031	0.8
104.01318	1.0
105.02112	2.4
105.07047	0.7
107.01843	1.4
109.02907	2.2
110.01315	2.6
110.97583	20.4
110.98349	1.1
111.02064	13.9
111.04449	1.0
111.05679	0.7
112.01004	0.7
112.07615	4.8
112.99125	4.3
113.00931	1.8
113.02399	2.0
115.00661	1.5
115.02456	1.7
116.50682	0.8
116.98636	26.8
116.99459	1.4
117.02097	1.1
118.00990	0.8
119.00192	7.5
119.01910	13.2
120.02599	45.9
120.52800	2.8
121.01607	1.6
123.04504	1.0
124.01009	0.8
124.95588	0.8
124.99160	2.9
125.01012	0.9
125.51129	0.8
126.00909	1.2
126.91974	0.7
126.97063	5.6
127.00706	1.0
127.02472	1.0
127.03955	6.4
127.07581	0.7
127.53432	0.7
128.98619	21.5
129.03111	63.4
129.53284	1.6
130.01030	1.0
130.12347	0.7
131.00237	5.0
131.01909	5.4
131.53368	1.4
132.00748	0.7
132.01973	1.8
132.97948	1.2
133.01590	3.1
133.03510	2.2
134.02283	1.0
134.99686	6.3
135.03217	0.9
136.00856	0.9
136.03864	1.1
137.02998	1.8
138.03625	2.8
139.03314	1.0
140.00267	0.9
140.53943	1.5
140.98656	1.3
141.01314	1.2
142.01784	1.5
142.03525	0.7
142.05336	1.2
143.00160	5.4
143.01926	3.8
144.98096	12.1
145.01688	3.1
145.03418	6.1
146.99660	13.2
147.00894	0.7
147.01392	1.3
147.03181	1.9
148.03938	2.4
149.01276	3.0
149.02934	0.9
152.51788	1.2
153.01396	0.7
153.03081	1.1
154.01857	2.9
154.03600	0.9
154.96527	1.6
155.00227	2.0
155.01918	2.2
155.04692	1.0
156.03645	1.0
156.05090	0.9
156.98088	0.8
157.01682	0.7
157.03458	3.5
158.03676	0.8
158.06610	0.7
158.99730	3.4
159.01318	0.7
160.05180	1.1
160.06360	6.3
161.01208	6.6
161.02907	4.8
161.52173	1.7
162.01961	1.7
162.03418	1.6
162.99162	8.3
163.02710	2.2
163.04352	0.8
163.05489	0.7
164.02347	0.8
165.00726	9.8
165.05458	0.7
167.07014	7.5
167.08208	0.7
168.01741	1.8
168.03503	1.8
169.02728	1.3
170.01306	1.1
170.03363	3.2
170.99693	1.0
172.02890	2.4
172.04486	0.6
172.06454	1.5
172.97586	6.6
173.01540	4.5
173.03033	4.3
174.99150	1.2
175.02890	1.5
175.04492	1.5
175.95512	0.7
177.00807	3.5
177.02457	4.0
178.07542	2.4
179.02296	7.0
181.00139	0.8
182.03162	1.3
183.01932	2.8
183.04164	1.3
184.03214	2.9
185.01367	0.9
185.02905	0.8
186.03033	1.1
186.04495	4.4
186.09717	1.3
187.04680	1.4
188.02370	0.9
189.00789	1.4
189.02438	0.9
190.03931	3.9
190.05826	1.0
190.07419	3.4
190.98645	18.8
191.00290	1.1
191.02367	2.4
191.04099	3.5
196.03038	0.9
197.03293	3.4
198.03035	0.7
200.04216	1.6
201.00716	1.0
204.05568	0.8
205.00371	0.7
205.03766	1.4
205.05634	0.7
208.04936	1.5
208.99713	18.6
209.01563	1.1
213.54576	1.5
214.00624	0.7
214.03992	15.8
214.07307	9.7
214.10730	1.0
214.14340	0.7
214.54390	1.0
218.02979	0.6
221.03357	5.5
221.05122	0.9
223.06691	4.0
227.00784	1.3
232.05000	6.1
232.08426	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	213.185
Annotation	Tectoionol B
Peak:m/z	Relative Intensity
53.03937	3.7
55.01864	5.9
55.05513	45.5
56.37711	1.7
57.03442	4.0
57.07083	11.4
59.04991	3.8
61.49026	1.7
67.05174	2.3
67.05508	23.6
69.03423	3.8
69.07071	100.0
71.04999	17.7
71.08626	2.6
73.67419	1.7
79.05493	14.7
81.03410	4.0
81.06590	3.6
81.07056	65.2
81.07533	3.9
83.04985	9.1
83.08624	22.4
85.06081	2.8
85.06544	32.3
91.05471	8.7
93.06487	3.1
93.07047	42.0
95.04942	2.4
95.08608	99.6
97.06541	10.1
97.10167	21.7
98.20718	3.3
98.97573	2.7
99.07585	2.0
99.08111	22.8
105.07047	9.0
107.04966	2.5
107.08599	58.7
109.10158	34.4
111.08066	7.8
111.11720	7.7
113.09658	13.7
119.08572	4.1
121.10145	75.6
123.11692	10.7
125.05968	2.5
125.09645	9.8
127.03916	2.4
128.06186	3.4
129.07005	5.2
129.51872	1.6
131.08565	2.6
135.11699	36.2
137.13272	31.8
139.11177	14.8
141.07036	3.5
142.07793	3.0
143.08609	8.9
149.09624	3.7
149.13258	7.6
151.14845	4.0
152.03046	1.7
152.06198	3.1
153.12715	11.2
155.08609	2.2
157.06470	2.9
157.10112	7.7
167.07104	2.1
167.08554	4.5
169.10077	3.0
170.10872	3.2
171.08057	3.6
171.11679	6.4
177.16394	76.8
180.09332	1.9
181.06436	2.5
183.11638	2.1
185.05826	2.3
185.09628	4.1
185.13268	2.4
187.09465	1.7
195.11688	3.7
195.17470	17.5
213.05544	1.9
213.09169	9.8
213.12773	16.0
213.16373	10.1
213.18478	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	213.1488
Annotation	3,7-Dimethyl-2,5-octadiene-1,7-diol
Peak:m/z	Relative Intensity
53.03950	3.8
55.01885	1.9
55.05521	19.0
57.03437	8.0
57.07061	1.9
59.32214	1.7
67.05515	71.4
69.03426	2.7
69.07077	22.5
70.24374	6.0
71.05003	7.2
72.07166	1.7
79.05070	3.2
79.05505	38.4
81.03430	4.0
81.07066	100.0
83.04996	5.1
83.08625	18.4
85.06553	5.3
88.07655	2.3
91.05489	23.9
93.06487	3.6
93.07060	58.8
95.04987	5.0
95.08622	21.9
97.06519	11.9
97.10196	2.6
98.97604	2.3
99.08095	3.3
100.78900	2.0
105.07035	11.5
105.15334	2.0
107.05012	2.0
107.08617	32.7
109.06535	3.0
109.10178	2.9
111.08109	5.9
117.07034	16.7
119.08588	6.5
121.10181	15.2
123.11734	4.4
123.14303	2.1
127.03899	2.2
128.06226	2.8
129.07018	5.5
131.08594	11.5
133.10141	15.8
135.08084	2.0
135.11691	11.3
142.07779	5.5
143.08589	7.3
145.10178	13.0
149.12183	3.3
149.13283	31.6
156.09375	2.0
157.10158	10.1
159.11719	18.1
167.08699	3.0
171.08150	2.2
171.11745	11.5
177.12802	7.1
183.11717	2.1
185.09872	2.7
185.13184	4.2
195.12061	2.4
195.13879	7.8
198.06834	1.9
213.05424	1.9
213.09178	7.4
213.12851	6.4
213.16376	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	213.1488
Annotation	3,7-Dimethyl-2,5-octadiene-1,7-diol
Peak:m/z	Relative Intensity
53.03941	4.5
55.01867	6.0
55.05519	20.6
56.96555	2.8
57.03444	10.4
57.07074	4.9
65.03943	2.7
67.05515	74.3
67.05885	3.6
69.03432	4.1
69.07072	23.6
69.15070	5.3
69.15470	19.3
70.06596	4.7
71.01363	3.3
71.05007	11.1
73.02919	2.2
77.61637	2.1
78.46637	2.2
79.05499	42.0
81.03426	3.5
81.07065	100.0
83.04987	10.5
83.08618	21.7
85.02921	3.7
85.06532	4.5
88.07649	8.6
91.05484	32.6
93.07054	58.1
95.04980	8.6
95.08614	26.2
97.02900	3.1
97.06535	11.0
97.10149	3.0
100.07525	2.2
101.02373	2.3
105.04501	3.4
105.07017	10.3
107.04975	3.4
107.08612	35.6
109.10143	4.0
111.04498	2.5
111.08098	6.4
117.07017	9.1
119.08595	6.4
121.06523	4.0
121.10152	19.7
123.11720	4.6
127.03915	4.4
128.06276	5.0
129.07053	6.3
131.08589	12.5
133.10150	15.3
135.08069	3.4
135.11729	15.3
136.34554	2.0
141.06990	4.1
142.07787	6.9
143.08578	10.5
145.10124	3.4
148.97342	2.0
149.09633	2.7
149.13277	32.4
155.07066	2.6
155.08553	4.6
156.09230	3.3
157.06555	2.5
157.10172	15.0
159.11736	18.2
165.07001	3.7
167.07100	3.7
167.08578	4.3
169.10156	3.8
171.08098	2.6
171.11740	9.4
177.12779	6.2
185.09778	8.4
185.13303	4.9
186.07582	2.7
195.06526	5.1
195.08186	2.8
195.11819	3.4
195.13791	7.4
196.09573	2.8
198.10414	3.8
213.03819	3.1
213.05469	3.1
213.09151	10.0
213.12865	21.6
213.16386	21.0
214.10725	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	213.1125
Annotation	1-(3,4-Dimethoxyphenyl)-1,3-propanediol
Peak:m/z	Relative Intensity
53.03949	2.3
55.01868	2.5
55.05518	3.7
57.07060	1.3
63.00051	1.6
65.03957	1.3
67.05511	4.1
69.03423	2.7
69.07059	3.0
70.06586	1.9
71.04991	3.5
71.50973	1.3
72.08163	1.4
78.04723	1.7
79.05508	13.1
79.14912	0.8
81.03416	2.5
81.07062	5.5
83.01336	2.8
83.04992	3.7
83.08612	1.4
85.02906	1.2
85.06538	3.4
85.08831	0.7
86.09721	1.5
86.56294	0.8
87.50435	0.8
91.05495	12.2
92.33624	0.9
93.07051	6.9
94.04134	0.8
95.05003	4.4
95.08617	4.5
97.06545	2.0
98.97578	0.8
99.04459	4.4
103.05490	8.5
105.04560	1.0
105.07059	9.6
106.04194	1.8
107.04974	60.1
107.08606	6.9
109.02868	1.6
109.06521	1.9
109.10166	2.7
110.03657	1.2
111.08096	4.8
115.05491	5.1
117.07030	3.5
119.04958	5.4
119.08585	2.6
119.42588	0.8
120.05737	2.8
120.32642	0.9
121.06520	1.8
121.10165	5.4
123.04427	6.0
123.08049	1.6
124.05226	4.3
125.06012	2.2
125.09640	2.4
126.03162	1.2
127.03902	1.2
128.06218	4.3
129.07027	5.8
131.04953	2.1
131.08591	3.0
132.42981	0.8
133.10164	0.8
135.08081	17.8
135.11691	2.2
137.06009	1.5
137.09666	1.4
139.07556	9.3
141.05487	3.1
141.07001	3.2
142.07791	5.6
143.08568	8.1
145.07587	1.6
145.10152	0.9
149.09621	2.3
149.13290	2.1
151.03891	2.2
151.07530	0.8
152.04694	1.5
153.05493	1.2
153.06981	1.9
154.06274	2.4
154.07732	0.8
155.08551	4.9
156.09386	3.0
157.06496	1.6
157.10182	6.4
159.11705	2.2
163.07570	23.8
165.07042	4.8
166.97226	0.7
167.07079	100.0
168.07396	1.8
169.05072	3.9
169.10191	2.0
170.10962	3.2
171.08060	4.7
171.11736	3.1
177.09134	1.8
177.12744	2.5
179.08626	1.1
180.07890	1.8
180.09317	2.7
183.08130	1.4
183.11703	2.3
185.09673	3.0
185.13284	8.2
195.10178	15.4
195.11786	5.9
195.13841	10.2
198.10478	3.7
213.05658	1.8
213.09209	3.6
213.11212	1.9
213.12854	15.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1487
Annotation	7-Oxo-11-dodecenoic acid
Peak:m/z	Relative Intensity
51.89982	12.1
53.03947	13.4
55.01854	11.4
55.05503	36.2
57.03421	16.3
57.07088	17.8
57.39416	14.3
67.05511	35.0
69.03423	17.9
69.07062	30.1
70.06599	34.0
70.70121	37.5
71.04995	37.0
72.93766	10.9
75.87591	11.2
79.05515	29.5
81.03389	10.8
81.07050	53.9
83.08633	19.1
88.07639	59.7
91.05492	34.8
93.07050	50.1
95.05013	16.0
95.08607	30.5
97.06542	23.5
105.07043	19.2
107.04993	29.8
107.08627	34.1
109.10170	13.6
111.08128	12.2
119.08617	21.4
121.10147	33.4
125.02428	13.6
125.05973	13.4
127.03898	16.7
128.06198	14.1
129.06999	33.3
131.08534	22.8
142.07780	35.3
143.08595	36.5
145.10141	43.0
152.06177	12.6
153.07004	11.1
156.09305	20.7
157.10162	71.2
159.11719	18.5
167.07034	30.9
167.08424	14.0
169.10164	12.5
169.67516	12.8
170.03575	12.0
171.08026	25.2
171.11737	48.6
185.09898	45.9
185.13329	19.5
186.07637	30.2
195.06441	18.4
198.06763	12.7
198.10342	20.8
213.05524	32.0
213.09325	42.3
213.12971	66.0
213.16428	100.0
214.07065	24.4
214.10846	26.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1695
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
50.24932	1.6
53.03956	2.2
53.11884	1.7
55.01869	3.9
55.05516	26.1
57.02313	1.9
57.03436	7.7
57.07070	8.4
57.27245	2.0
59.04997	8.8
67.05517	29.8
67.21376	2.1
69.03432	19.2
69.07078	41.5
71.04991	8.1
71.08622	2.4
71.51471	2.6
71.51840	2.1
72.08153	4.0
78.04729	3.4
79.05495	17.7
81.03471	2.2
81.07065	42.6
82.04910	2.0
83.04994	12.5
83.08626	16.6
85.02917	2.8
85.05187	2.0
85.06560	9.2
87.04480	3.2
91.05487	16.1
93.07053	27.5
95.04976	16.1
95.08617	62.2
97.06539	9.0
97.10192	5.4
98.06047	2.1
99.08110	7.5
101.06024	2.7
103.05439	3.3
105.07042	26.3
106.04225	2.4
107.08611	37.7
109.02881	2.5
109.06536	13.7
109.10167	100.0
111.08095	14.3
113.02378	2.3
113.05988	2.7
113.09636	2.9
119.04932	3.6
119.06137	2.3
119.08592	44.3
121.06531	5.5
121.10152	57.6
121.55823	2.0
123.04431	16.8
123.08098	14.6
123.11722	26.5
125.09647	32.5
127.07584	1.9
127.11176	2.6
133.06561	2.7
133.10149	41.2
135.11703	32.1
137.06013	11.6
137.09628	18.2
137.13341	9.4
139.07562	2.9
139.11198	6.9
141.07039	3.8
143.08574	2.7
147.11707	8.0
149.06003	6.6
149.13275	10.4
151.03876	4.3
151.07562	8.6
151.11209	15.6
151.14830	10.3
152.07080	2.5
153.07065	4.2
155.08589	6.7
155.10678	3.8
165.07019	4.2
165.09135	6.5
165.12819	4.7
165.16397	11.5
166.12292	6.5
167.07053	76.7
167.14345	8.4
168.09360	3.4
169.10156	6.5
175.11215	4.7
175.14847	52.5
179.07082	15.9
181.08624	6.6
181.10066	2.9
183.11673	2.6
193.04999	2.1
193.08591	5.6
193.10164	4.1
193.12231	4.6
193.15909	50.8
196.08913	2.4
196.12453	3.0
211.07610	6.6
211.09503	3.0
211.11234	7.6
211.13094	3.6
211.14847	6.8
211.16972	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	213.1125
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.5
55.01870	2.2
55.05509	2.2
55.36740	0.6
56.96568	1.4
57.03446	1.0
65.03925	0.8
67.05503	2.7
69.03432	1.8
69.07070	1.3
70.06602	1.1
71.05014	2.8
71.50843	0.8
77.03977	0.5
78.04742	3.1
78.69058	0.5
79.05077	0.9
79.05507	12.3
81.03418	1.8
81.07076	3.9
83.04978	1.1
85.02925	1.1
85.06551	2.7
86.09720	1.3
88.07641	0.5
91.05499	8.7
93.07076	4.1
95.04974	4.3
95.08617	2.2
96.05738	0.6
97.02902	0.6
97.06525	1.0
97.10183	0.6
98.97594	7.8
99.04482	5.1
103.05486	9.6
105.04514	0.9
105.07053	8.6
106.04189	1.7
107.04974	63.5
107.08606	4.4
109.02886	0.8
109.06540	1.7
109.10172	2.6
111.08094	0.7
113.09696	0.8
113.39160	0.6
115.05459	5.3
116.98634	2.1
117.07042	1.6
119.04974	3.3
119.08588	2.3
120.05742	2.9
121.06538	1.8
121.10158	3.9
123.04443	7.5
123.08045	1.4
123.11768	0.7
124.05257	3.8
125.06072	1.2
125.09635	1.3
128.06227	2.4
129.07013	2.3
131.04947	2.3
131.08592	1.8
133.06555	1.0
134.03720	0.7
135.04419	0.6
135.08075	15.4
135.11664	0.7
137.05998	1.6
137.09590	0.7
139.03937	0.7
139.07571	0.8
141.05580	1.2
141.07030	1.7
142.07802	1.9
143.08588	3.7
145.07640	1.3
145.10120	1.1
147.04442	1.2
147.11700	1.1
149.05965	0.9
149.09618	2.6
151.03944	1.8
151.11211	0.6
152.04721	2.3
152.06189	0.6
153.07010	1.3
153.09088	0.6
154.06276	2.7
155.07381	0.6
155.08597	2.5
156.09357	2.1
157.06555	0.9
157.10138	2.9
157.69527	0.6
158.99651	1.8
159.11633	0.6
163.07573	25.0
165.05537	0.9
165.07014	2.2
167.07072	100.0
168.07402	0.9
169.10117	1.0
170.07315	0.6
170.10956	1.2
171.08098	1.7
171.11699	1.6
177.00760	1.4
177.09140	1.9
179.08527	0.8
180.07845	2.7
180.09415	1.9
181.08664	0.5
183.11755	1.0
185.09698	1.9
185.13263	1.5
195.10196	17.2
195.11732	2.3
195.13661	1.1
198.06781	0.8
198.10539	1.2
213.05602	1.0
213.09216	2.6
213.11142	1.8
213.12885	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	211.1694
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
52.39108	2.2
53.03937	3.8
55.01863	3.8
55.05512	32.3
57.03439	8.9
57.07067	9.4
59.04987	5.5
65.03934	2.9
67.05503	41.8
69.03419	9.0
69.06731	3.9
69.07070	48.2
71.04998	20.1
71.51260	2.9
72.08144	4.0
78.04699	4.5
78.07461	2.4
79.05495	21.0
81.03408	19.1
81.07059	58.2
83.04993	19.9
83.08633	20.2
84.08882	2.7
85.02915	3.6
85.06553	12.0
85.19761	2.8
87.04444	3.2
91.05489	26.8
92.05830	3.8
92.17637	2.2
93.07050	39.0
95.04986	18.2
95.08611	75.4
97.06542	19.2
97.10157	6.1
99.04439	5.5
99.08073	5.9
103.05460	4.3
105.07043	25.6
106.04182	3.1
107.04972	3.9
107.08596	44.3
108.88729	2.4
109.06520	15.2
109.10162	100.0
111.08075	15.5
115.07650	3.0
117.06979	2.6
119.04952	4.2
119.08590	45.3
121.06512	8.9
121.10149	66.8
123.04434	10.8
123.07256	4.3
123.08048	19.7
123.11701	27.8
125.02370	2.6
125.09618	9.6
127.07549	2.9
128.00769	71.8
129.07014	3.9
131.08604	3.7
133.06514	6.0
133.10136	46.1
135.11694	44.7
137.05965	32.1
137.09624	21.3
137.13287	8.4
139.11186	8.9
141.07018	3.1
147.08026	4.1
147.11716	12.1
149.05984	7.1
149.13274	19.2
151.07545	6.2
151.11172	11.7
151.14841	13.6
152.07059	4.3
153.07013	3.7
153.12729	3.7
155.08537	9.3
157.10150	5.6
165.05490	2.7
165.07080	3.6
165.09134	2.8
165.12833	5.4
165.16383	15.5
167.07056	55.6
167.14316	8.4
168.09343	3.1
169.10123	10.6
170.02933	2.9
175.11180	8.6
175.14839	54.8
179.07043	6.0
181.06424	3.0
181.08624	5.4
181.10135	2.8
182.10783	2.5
183.11641	5.5
184.09618	2.9
193.08575	5.4
193.10210	4.6
193.12239	8.8
193.15924	55.2
196.08792	5.7
211.05682	9.9
211.07594	8.6
211.09456	3.5
211.11241	8.4
211.13184	6.3
211.14839	11.1
211.16946	34.0
212.09126	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	211.1692
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
50.70340	0.5
52.80334	0.4
53.03952	1.4
54.45475	0.5
55.01867	0.9
55.05513	16.5
56.05852	2.3
57.03447	1.3
57.07074	4.6
59.04998	2.5
65.03940	1.0
67.05509	30.4
68.05807	0.8
69.03435	11.1
69.07074	18.3
69.37421	3.7
70.06626	0.6
71.05002	4.0
71.08643	1.7
73.20338	0.4
78.04722	1.1
79.05498	6.6
81.03403	0.9
81.07059	29.8
82.07391	0.6
83.04985	13.1
83.08625	9.5
84.05312	0.6
84.08946	1.1
84.95152	0.5
85.06548	5.4
87.08098	0.7
91.05482	6.9
93.07049	13.9
95.04967	4.0
95.08613	40.6
97.06504	2.5
97.10164	3.4
99.04472	0.6
99.08098	4.9
100.07619	0.8
100.11269	0.7
101.07993	0.5
101.11575	0.7
101.65411	0.5
103.05464	1.0
103.55489	0.5
105.07037	9.7
106.04153	0.5
107.08598	28.3
109.06522	13.2
109.10161	100.0
110.10519	1.1
111.04445	0.9
111.08087	4.6
111.11733	0.6
112.04774	1.2
113.06059	0.7
113.09673	1.3
117.07041	1.0
119.05030	0.6
119.08588	26.2
121.06522	1.2
121.10155	11.1
123.04435	2.1
123.08072	15.1
123.11720	10.0
125.09667	3.0
127.11201	1.0
131.08574	0.7
133.10135	25.1
134.04701	0.5
135.11697	69.1
136.12039	0.5
137.05971	2.6
137.09628	16.9
138.10403	0.7
139.11185	2.5
147.04433	0.9
147.11679	2.1
148.44351	0.5
149.05948	1.0
149.12378	0.5
149.13306	5.8
151.07567	0.8
151.11208	10.5
151.14827	10.0
152.04559	0.5
153.12752	2.4
155.08563	1.5
160.12521	0.8
164.29747	0.5
165.12764	0.9
165.16364	3.3
167.07054	21.4
168.05748	0.7
169.10138	1.3
175.14844	21.4
179.06989	1.3
181.08646	0.6
181.10086	0.7
182.15358	0.7
183.07919	0.5
183.11705	0.9
183.15758	5.8
184.09673	0.8
193.10071	0.7
193.15889	17.2
196.08896	0.6
211.07637	1.0
211.11214	1.5
211.13194	0.8
211.15186	3.5
211.16707	3.1
221.26532	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1695
Annotation	alpha-Cyclogeraniol acetate
Peak:m/z	Relative Intensity
52.66028	0.9
53.03935	1.2
55.05520	16.7
57.07075	4.8
59.05016	2.0
65.03973	1.2
67.05178	1.8
67.05516	27.2
67.81871	1.0
69.03436	7.4
69.07077	17.8
69.15720	9.0
69.16132	2.5
71.04992	4.7
71.08644	1.1
79.05492	4.6
79.05927	1.0
81.07073	28.9
83.04992	11.8
83.08623	6.7
85.06566	4.8
87.89796	1.0
91.05501	6.2
93.07061	12.2
95.04978	4.4
95.08622	39.5
96.20130	1.0
97.06574	2.1
97.10188	2.9
98.20709	1.9
99.08082	5.1
105.07031	8.5
107.08613	29.3
109.06546	12.7
109.10174	100.0
109.33259	1.0
110.10518	1.3
111.08096	4.8
113.09634	2.3
119.07809	1.8
119.08604	24.5
121.10165	12.5
123.04478	2.3
123.08091	15.0
123.11710	9.3
125.09628	2.3
133.10156	21.4
135.11713	74.7
136.12051	1.2
137.06003	2.4
137.09641	17.8
138.10379	1.3
138.24725	1.1
139.11201	2.4
147.11642	1.1
149.06087	1.3
149.13290	6.8
151.11203	14.3
151.14850	12.1
153.12747	3.5
165.16449	1.4
167.07088	14.1
175.14857	20.5
193.15916	16.0
211.11232	1.3
211.15038	2.1
211.17009	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1695
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
50.08856	1.3
52.54026	1.2
53.03948	2.3
55.05519	15.3
57.03444	2.9
57.07077	6.1
59.04998	6.1
67.05512	37.4
68.99799	1.6
69.03444	13.2
69.07076	26.6
70.66694	3.6
70.67043	1.6
71.04996	16.6
79.05504	10.2
81.03448	2.7
81.07065	37.2
83.04993	12.0
83.08629	12.6
85.06565	17.6
85.25818	1.4
91.05502	8.3
93.07057	23.2
95.04971	5.8
95.08617	48.9
97.06547	7.6
97.10200	2.8
99.04453	3.4
99.08102	5.9
105.07046	14.9
107.08609	33.4
109.06526	18.6
109.10167	100.0
111.08083	5.4
113.09633	2.4
113.39848	1.4
115.07586	2.6
119.08598	29.7
121.10146	14.6
123.04435	7.7
123.08077	15.7
123.11726	22.9
125.09645	6.7
127.07571	7.4
131.08688	1.5
133.10146	26.7
135.11703	80.8
137.06010	6.1
137.09641	17.8
139.11179	2.6
141.06995	2.1
141.12753	1.8
147.11691	4.6
149.06071	2.4
149.13271	6.5
151.11203	10.4
151.14850	8.7
153.07047	3.8
153.12767	5.7
155.08612	4.7
155.10620	1.7
165.09196	1.7
165.12827	2.4
165.16376	4.0
167.07076	18.5
167.08492	2.5
168.09366	2.6
169.10167	3.0
175.11127	1.9
175.14842	29.1
179.07027	1.5
181.06578	3.1
181.10225	1.5
183.08051	2.2
183.11745	7.4
193.08640	10.4
193.10245	3.2
193.12177	2.4
193.15889	18.9
196.08887	4.1
211.07797	2.1
211.09557	3.7
211.11226	12.7
211.14828	5.7
211.16992	15.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1694
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
53.03930	4.8
55.01857	9.4
55.05318	2.4
55.05517	28.1
55.38893	2.3
57.03450	15.8
57.07071	8.8
59.04992	5.5
63.05666	2.2
65.03958	3.1
67.05509	44.5
69.03434	53.3
69.06728	3.8
69.07076	46.5
70.06588	4.1
71.04996	22.2
71.18199	5.2
72.08144	7.4
75.41295	2.3
75.61137	2.4
79.05499	32.8
81.03417	3.7
81.07069	77.9
83.04977	22.2
83.08637	13.2
83.78387	2.2
85.02915	4.1
85.06551	16.0
87.04472	6.5
90.04670	2.8
91.05492	63.7
93.07053	56.0
94.06558	4.2
95.04969	28.1
95.08619	79.7
97.02937	2.8
97.06540	28.0
97.10143	7.0
99.04449	12.9
99.08091	11.5
103.05450	4.5
105.07045	53.7
106.04156	2.9
107.04951	5.9
107.08606	63.2
108.08902	3.6
109.06563	18.8
109.10169	77.3
111.04472	3.6
111.08086	25.0
113.06003	10.3
113.09677	6.2
117.07025	3.6
119.04934	5.0
119.06090	5.2
119.07818	4.9
119.08599	59.6
121.06545	13.7
121.10149	49.9
123.04441	12.1
123.08078	28.9
123.11728	35.2
125.09647	100.0
127.07576	5.6
127.11247	4.1
129.06973	3.7
131.08614	7.4
133.06506	5.8
133.10147	64.3
135.08058	9.9
135.11703	39.6
137.05997	12.1
137.09616	31.1
137.13260	7.7
139.07552	3.7
139.11188	8.4
141.07008	3.8
147.08023	3.6
147.11717	26.6
149.06010	5.7
149.09625	28.6
149.13278	13.3
151.07538	11.1
151.11205	24.0
151.14792	9.0
152.07118	6.3
152.11374	2.5
153.06979	3.5
153.12779	4.1
155.08540	7.2
155.10657	3.6
157.10173	6.7
165.05598	3.5
165.06960	4.3
165.09114	5.2
165.12781	15.0
165.16438	7.4
167.07072	69.5
167.10612	3.3
167.14304	3.5
168.09341	6.0
169.10106	6.3
169.12306	13.6
175.11208	16.4
175.14857	48.2
181.08591	9.0
181.10052	3.2
183.06497	2.8
183.11624	4.9
184.09741	3.4
193.08659	6.1
193.10551	4.5
193.12253	21.5
193.15968	38.8
196.08842	3.9
211.05885	3.4
211.07748	4.5
211.09499	2.9
211.11151	12.3
211.13281	16.0
211.14888	6.0
211.16876	27.4
213.20255	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	211.1331
Annotation	Ieodomycin B
Peak:m/z	Relative Intensity
51.73381	1.1
53.03938	6.3
53.54832	1.2
55.01882	6.3
55.05515	45.5
56.57098	1.3
57.03439	10.4
57.07071	1.8
59.04995	2.1
65.03944	2.7
67.05511	36.9
69.03436	15.7
69.07075	16.0
71.05001	9.0
71.51607	1.2
72.08134	1.9
73.06567	1.5
79.05498	36.8
81.03424	100.0
81.07060	42.5
83.04987	55.6
83.08152	2.6
83.08624	36.5
85.02899	1.2
85.06536	3.8
87.04455	1.7
91.05486	39.9
93.07053	21.7
95.04978	38.2
95.08622	20.4
97.02879	4.2
97.06542	7.1
97.10178	9.4
97.44563	1.2
99.04478	2.8
99.08096	2.5
103.05489	1.9
105.04512	1.8
105.07047	25.7
107.04956	7.6
107.08599	13.3
109.06523	9.2
109.10164	10.6
111.04427	2.9
111.08092	12.6
115.05479	2.2
117.07019	3.2
119.08595	24.6
120.37221	1.2
121.06503	3.9
121.10151	9.8
123.04436	2.2
123.08069	5.7
123.11697	3.1
125.09644	3.5
127.11209	1.4
129.07019	13.6
131.08574	11.9
133.06500	5.4
133.10133	15.6
135.11674	3.5
137.05981	9.7
137.09642	4.1
141.07059	2.5
142.07806	4.2
145.10124	1.9
147.08060	3.8
147.11700	16.8
149.05986	1.6
149.09639	7.6
151.07629	1.7
153.07053	2.0
155.08543	5.9
157.10150	17.6
165.09198	1.2
165.12816	2.9
167.07057	19.7
167.08473	2.6
168.09343	3.5
169.10121	7.0
175.11194	13.8
175.14792	1.5
178.07942	1.2
179.08569	1.2
181.06471	1.6
181.08620	2.0
181.10146	3.0
183.11673	4.0
184.09793	1.3
193.05026	1.2
193.10423	1.9
193.12254	35.6
193.16002	2.0
196.08838	2.9
196.12534	2.3
211.07628	3.4
211.11209	12.0
211.13281	11.1
211.15207	7.8
211.16853	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	211.133
Annotation	Ieodomycin B
Peak:m/z	Relative Intensity
53.03949	6.2
55.01861	16.0
55.05514	20.5
56.63655	4.0
56.96566	11.7
57.03440	6.9
57.07076	7.2
61.30503	5.4
67.05506	59.8
69.03417	6.6
69.07073	27.7
70.06590	5.7
71.04988	13.6
71.11853	6.3
72.08170	6.4
75.36894	4.2
79.05499	37.3
81.03416	15.7
81.07066	100.0
83.04977	17.2
83.08630	12.5
85.02899	5.5
85.06535	12.8
91.05483	69.4
93.07040	31.9
95.04980	14.4
95.08610	33.6
97.06535	21.8
99.08092	9.9
105.07043	68.4
107.04956	5.8
107.08613	19.4
109.06522	18.3
109.10177	13.3
111.04505	7.2
113.05984	5.2
119.04987	4.9
119.08585	50.3
121.06516	5.0
121.10163	23.7
123.04502	6.5
123.08116	8.8
123.11707	33.1
125.06000	4.8
127.07566	4.4
129.07016	18.2
131.08606	9.4
133.10135	42.6
135.11690	13.3
137.05957	29.3
137.09627	8.0
142.07800	5.6
147.11687	84.3
147.35538	4.2
149.05988	4.4
151.07545	9.8
151.11162	4.6
154.07855	6.0
155.08539	13.5
157.10141	22.3
163.97627	5.3
164.93452	4.3
165.06766	4.6
165.12761	26.2
166.08736	8.9
167.07115	29.7
167.08379	6.6
169.10085	17.1
175.11212	26.0
175.14778	9.2
181.10138	7.6
183.11713	7.7
184.09750	13.7
193.04994	5.7
193.10675	6.4
193.12270	27.8
195.24120	4.2
196.08746	5.3
205.98813	6.2
211.07613	8.9
211.11247	10.1
211.13100	8.6
211.14839	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	211.133
Annotation	Libanotic acid
Peak:m/z	Relative Intensity
53.03942	4.8
54.30740	1.1
55.01878	7.6
55.05516	51.3
57.03441	11.6
57.07085	2.5
59.05010	1.8
67.05510	36.1
69.03437	14.2
69.07069	10.2
69.95164	6.2
71.04993	6.9
77.03941	1.9
78.04749	1.5
79.05496	35.6
81.03423	100.0
81.06587	2.7
81.07063	44.9
83.04990	49.9
83.08627	34.6
85.06534	4.1
86.64297	1.2
91.05489	38.4
93.06561	1.9
93.07059	19.1
95.04971	34.3
95.08620	15.3
97.02886	3.9
97.06511	4.2
97.10175	6.8
99.04504	2.0
99.08075	1.9
102.83439	1.4
105.07044	27.8
107.04951	6.4
107.08597	10.1
109.06561	6.9
109.10172	4.2
111.04460	4.2
111.08078	10.8
113.05988	1.7
115.05438	2.6
117.07015	2.0
119.04906	1.7
119.08586	17.9
121.06476	3.3
121.10162	10.3
123.04421	2.6
123.08068	4.2
123.11698	2.6
125.09650	3.4
129.07019	11.2
131.08582	12.8
133.06480	4.7
133.10114	11.7
135.11719	3.2
137.05978	6.4
137.09608	3.6
141.06993	1.7
142.07813	4.3
142.22545	1.3
145.10135	1.5
147.08073	4.6
147.11696	15.9
149.09616	6.7
150.08807	1.2
151.07568	2.1
151.11148	1.9
155.08601	3.8
157.10172	14.7
165.07132	1.7
165.12747	4.0
166.08873	1.6
167.07054	14.6
167.08478	2.1
168.05843	1.6
169.10165	3.2
175.11182	14.4
181.06508	1.6
181.10071	2.2
183.11592	2.0
184.09767	1.5
193.10439	2.4
193.12245	29.5
193.15982	1.5
196.08865	2.0
196.12428	2.1
211.07640	2.4
211.11118	4.5
211.13275	12.3
211.14920	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	211.0969
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	0.5
53.03953	3.1
55.01868	0.7
56.96578	3.8
57.03440	0.8
63.37363	0.4
65.03945	0.9
67.05495	1.5
69.03426	1.3
69.07087	0.4
70.06577	0.9
70.80793	1.0
72.08160	1.1
73.02905	0.6
77.03926	0.8
78.04729	4.0
79.05504	2.7
81.03410	1.7
81.07082	0.9
83.04981	0.6
84.96054	0.5
85.02910	1.3
91.05499	12.6
93.07057	10.7
95.04989	3.6
97.02921	0.8
97.99198	0.5
98.97597	4.0
99.81782	0.4
103.04817	0.7
103.05482	10.5
105.04522	1.7
105.07048	3.9
106.04192	3.2
107.04974	1.4
109.06496	0.5
109.35666	0.4
110.97574	1.3
111.57611	0.4
112.84748	0.4
115.05473	0.6
116.98643	1.0
119.01907	0.5
119.04958	1.4
121.06525	18.4
122.03659	0.8
123.04448	9.9
124.05234	3.1
127.03832	0.5
128.98622	0.7
131.04967	0.5
131.06052	1.3
133.06483	3.3
134.03676	0.8
137.05986	6.2
139.03888	0.4
144.98131	0.7
147.04404	1.1
149.06000	33.4
151.03964	2.6
151.07564	0.6
152.04675	1.9
152.07071	0.7
155.04683	0.6
155.06964	0.7
158.99706	1.1
161.06010	4.2
163.97734	0.5
165.05479	1.3
165.11119	0.6
166.06291	5.3
166.08617	0.7
167.07066	100.0
168.07397	1.7
175.15071	0.5
179.03485	0.8
180.07889	2.1
181.08618	27.4
182.08890	0.6
186.99168	0.6
193.05074	0.6
193.08640	1.5
193.66454	0.4
211.05971	1.3
211.09404	2.9
219.01884	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1331
Annotation	Libanotic acid
Peak:m/z	Relative Intensity
50.78767	1.7
53.03951	6.1
55.01865	4.7
55.05516	40.7
56.96569	4.2
57.03439	10.5
57.07073	2.3
59.05003	2.2
67.05515	35.1
69.03440	10.8
69.07066	13.3
70.59820	4.0
70.60188	3.4
71.04995	6.6
77.01923	1.7
79.05496	26.1
81.03426	100.0
81.07067	40.3
83.04989	48.5
83.08635	35.0
85.02901	2.1
85.06582	2.5
90.80307	1.7
91.05492	38.4
93.07066	18.7
95.04981	34.7
95.08614	16.4
97.02898	6.5
97.06540	4.8
97.10179	7.9
98.06066	2.5
99.08035	1.9
105.07055	26.2
106.31111	2.5
107.04986	6.7
107.08575	11.6
108.58821	2.2
109.06531	11.2
109.10157	6.4
111.04443	4.3
111.08091	11.6
115.05415	2.1
119.08595	21.0
121.10143	8.1
123.08041	3.3
123.11691	2.5
129.07040	14.0
131.08575	8.9
133.06523	5.0
133.10138	10.8
135.36264	2.2
137.06007	3.3
137.09659	2.4
142.07788	4.8
145.96632	2.8
147.08081	4.1
147.11714	12.9
149.09615	8.0
152.07071	2.2
157.10130	15.4
163.26129	2.0
163.97731	1.9
165.12779	3.9
166.08649	2.5
169.10118	2.5
175.11221	17.0
184.09746	6.8
193.10638	3.6
193.12251	34.2
205.98828	2.9
211.11348	3.2
211.13301	14.6
211.14880	3.1
213.34679	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	210.1127
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60782	0.2
53.79591	0.3
56.96571	0.9
61.02938	0.3
62.06097	0.6
63.22711	0.3
67.05520	0.3
68.05035	0.3
69.03435	0.3
69.07062	0.5
70.06592	1.3
71.24153	0.3
72.04520	1.5
73.02898	0.3
74.06116	0.3
79.05511	2.0
79.05892	0.4
81.03423	0.3
84.96027	0.3
85.02930	0.5
87.04494	0.3
91.05482	3.3
93.07068	0.7
95.01373	0.4
95.04987	0.5
97.02897	0.6
98.97589	0.9
102.96956	0.3
103.05481	6.0
105.07044	7.0
106.50294	0.2
107.04961	2.4
110.06095	0.4
110.97593	0.2
112.14456	0.2
117.05772	1.7
117.07036	2.9
118.06554	4.0
119.06487	0.3
119.07343	6.5
119.08607	0.9
120.08121	8.6
120.08952	0.5
122.10506	0.3
123.04440	0.5
128.06238	1.2
129.07024	6.3
130.06528	0.8
130.91837	0.3
131.04932	1.7
131.07312	1.5
137.06001	0.7
144.08084	0.7
146.09669	7.2
146.10802	0.5
149.05998	0.6
154.59009	0.3
164.10732	100.0
165.11067	1.3
167.07039	1.0
168.06506	0.3
174.09059	0.3
182.08168	0.6
192.06511	0.4
192.10246	1.1
210.07892	0.7
210.11276	11.9
211.11533	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1539
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03936	4.2
55.01878	8.4
55.05515	7.8
57.03436	3.0
57.07085	11.0
65.03932	4.8
67.05242	1.1
67.05512	12.4
69.03087	1.5
69.03436	20.0
69.07065	9.5
69.42109	6.7
69.42512	2.1
71.04984	4.8
71.69528	1.1
75.04468	3.5
77.03933	1.7
78.04703	3.3
79.05497	12.3
81.03409	2.0
81.07066	16.8
83.04991	14.0
83.08630	3.6
85.02893	4.5
85.06552	7.5
89.03917	3.7
91.05486	25.5
93.03429	10.9
93.07062	19.3
95.04966	11.7
95.08610	16.8
97.06548	9.5
97.10137	2.1
99.04449	1.7
99.08074	1.5
103.05466	9.8
105.03374	2.2
105.04515	2.0
105.07027	10.5
106.04182	31.1
107.04987	2.5
107.08600	34.4
109.06528	19.1
109.10164	10.2
111.08084	9.7
117.03382	2.6
117.07063	1.2
119.05008	1.5
119.08610	5.8
121.06522	32.6
121.10150	18.7
123.04432	2.7
123.08091	8.9
123.11729	7.1
125.06016	6.6
125.09640	57.0
131.04900	4.3
131.08566	8.0
133.10143	11.5
134.03676	6.2
135.04424	2.4
135.08076	17.4
135.09038	2.0
135.11687	10.1
137.05975	4.0
137.09595	2.1
138.06813	1.7
139.07532	2.5
143.08452	1.4
145.02818	2.1
145.10109	5.6
147.11703	8.2
148.05206	4.4
149.04800	2.0
149.05995	36.1
149.09642	8.8
149.13281	14.6
150.10391	1.3
151.07559	2.6
151.11220	7.2
153.05473	3.8
153.09123	16.3
158.10941	4.2
161.09709	1.3
163.03842	1.3
163.07562	3.8
163.11217	7.0
163.14882	7.7
165.12782	15.5
166.06296	1.7
173.13280	19.2
176.11862	1.2
177.05484	18.2
179.08502	1.7
181.08641	7.1
181.09950	1.4
191.07036	3.1
191.14325	100.0
194.10960	1.6
209.04459	2.1
209.08095	11.6
209.15375	94.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1538
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
50.67384	0.7
53.03933	3.1
55.01852	2.7
55.05268	1.1
55.05516	12.1
57.03422	1.4
57.07074	5.6
59.04992	1.6
65.03944	1.1
67.05506	7.4
69.03418	3.0
69.07075	10.2
69.90235	2.7
69.90638	1.6
71.04996	2.4
71.29466	0.7
75.65263	0.7
77.62593	0.7
79.05499	17.5
81.03435	1.0
81.07063	21.9
83.04986	5.6
83.08614	4.6
85.02939	1.0
85.06541	6.7
91.05492	10.2
93.07048	38.0
95.04977	4.6
95.08616	7.6
97.06508	3.4
97.10199	4.3
99.04465	1.5
99.08099	1.0
103.05465	1.8
105.04502	0.9
105.07049	8.3
106.04163	1.7
107.04961	9.7
107.08604	50.4
109.06510	4.2
109.10207	4.0
111.08067	1.4
113.06010	3.6
115.07568	1.4
119.08588	6.9
121.06497	4.2
121.10153	100.0
123.08066	2.7
123.11700	2.8
125.06058	0.9
125.09637	2.8
131.04948	1.3
131.08571	1.6
133.10110	6.0
134.03629	1.3
135.08095	2.0
135.11702	33.2
135.12735	1.9
137.09625	1.1
145.10162	1.1
147.11665	1.8
148.05208	1.6
149.06003	3.5
149.09653	1.6
149.13278	2.2
151.11172	2.4
153.09094	1.8
163.07559	1.2
163.11263	1.1
163.14830	25.0
165.05341	1.0
167.14331	2.4
173.13240	3.4
177.05515	5.0
191.14330	15.2
194.05702	1.2
209.08018	4.9
209.11665	1.4
209.15372	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	209.1538
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
55.01857	2.0
55.05512	14.9
57.03428	2.3
57.07082	10.6
59.05002	1.6
62.93665	1.5
65.03927	2.7
66.30309	1.4
67.05510	13.6
69.03432	23.4
69.07058	5.8
69.34129	1.2
69.34869	10.9
70.45859	1.6
71.04996	3.2
75.04489	1.8
79.05499	8.6
81.07060	16.6
83.04977	27.9
83.08627	7.6
85.02883	1.7
85.06550	8.9
90.72689	1.3
91.05482	11.5
93.03401	2.2
93.07048	9.5
95.04977	25.3
95.08618	14.7
97.06529	5.2
97.10157	2.0
98.21610	1.5
99.04461	3.5
103.05499	3.5
105.07021	9.9
106.04154	6.9
107.05007	1.7
107.08595	31.8
109.06521	18.4
109.10169	8.2
111.08080	8.0
117.07036	1.7
119.08596	6.1
121.06496	12.4
121.10130	17.9
123.08056	6.4
123.11749	7.0
123.12539	1.8
125.05991	2.9
125.09637	66.5
131.04985	1.5
131.08546	8.3
133.10164	11.9
135.08054	16.9
135.11714	7.0
137.13260	1.8
143.08511	2.3
145.02815	2.1
145.10127	3.8
147.11653	5.8
148.05199	2.2
149.05989	12.5
149.09644	7.7
149.13252	11.2
151.11166	12.0
153.09099	21.0
155.56593	1.4
157.85387	1.3
158.10870	4.0
161.09557	1.6
161.13089	1.5
163.11188	3.8
163.14789	6.4
165.12753	19.8
167.14316	13.6
170.97957	1.3
173.13269	20.2
177.05489	6.1
191.14311	95.8
209.08089	4.2
209.15369	100.0
210.33209	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	209.1537
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03934	2.9
55.01872	9.7
55.05503	4.2
57.03445	1.3
57.07069	4.4
62.62722	0.9
63.15413	1.0
65.03942	3.1
67.05513	6.3
69.03416	3.6
69.07075	4.7
70.06576	1.3
71.04977	4.0
72.08175	1.3
75.04478	2.7
77.40295	1.0
78.04700	2.8
79.05507	8.3
81.03414	1.5
81.07070	8.6
83.01349	1.0
83.04975	3.5
83.08607	2.6
85.02885	2.7
85.06546	2.4
89.03175	0.9
89.03916	1.7
91.05489	16.4
93.03392	6.0
93.07047	12.1
95.04966	10.0
95.08606	6.1
97.06532	4.1
99.04440	2.4
99.08064	1.6
103.05489	6.7
105.03373	1.5
105.07054	7.4
105.54849	1.0
106.04184	16.1
107.04962	1.9
107.08610	11.2
109.06524	100.0
109.10156	11.7
111.08089	2.9
117.03391	2.1
117.07019	1.7
119.04931	2.4
119.08590	3.0
121.05690	1.6
121.06513	22.0
121.10159	6.9
121.89392	1.1
123.08070	12.2
123.11698	1.6
125.05991	4.3
125.09608	2.5
131.04922	3.3
131.08572	6.6
133.10136	3.8
134.03648	3.0
135.04385	1.2
135.08060	20.6
135.11667	3.2
137.02995	0.9
137.05983	3.1
137.09579	1.4
138.06744	1.2
139.07501	1.7
142.56781	1.0
143.08554	1.1
145.02844	2.6
145.10138	3.5
147.04439	1.4
147.11719	1.9
148.05156	3.1
149.05994	22.9
149.09650	5.9
149.10628	1.0
149.13239	3.7
150.10371	1.9
151.07529	1.4
151.11174	3.4
153.05458	2.6
153.06978	1.5
153.09109	10.4
158.10945	1.6
159.04417	1.7
161.09686	1.5
163.03889	1.1
163.07510	2.5
163.11182	2.7
163.14827	1.7
165.12758	2.6
167.08553	1.5
167.10788	1.2
167.14201	1.2
173.13263	5.6
173.83954	1.1
177.05469	16.2
179.08513	2.2
181.08601	4.2
181.10046	2.1
191.07027	3.1
191.10643	2.5
191.12674	1.9
191.14316	22.4
209.04425	4.0
209.06285	1.4
209.08098	6.6
209.09837	2.0
209.13234	3.6
209.15326	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	209.1539
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03941	1.7
55.01880	2.1
55.05513	15.0
57.03431	2.2
57.07074	3.0
59.04992	1.6
65.03950	3.4
67.05515	8.9
69.03439	8.9
69.07078	14.6
70.58886	4.4
71.04997	8.3
74.09697	1.4
78.04697	1.7
79.05505	8.9
81.07066	15.9
83.04988	26.7
83.08633	8.3
85.06535	1.8
91.05473	10.2
93.03429	1.4
93.07062	13.1
95.04985	27.2
95.08622	28.2
97.06547	7.8
97.10189	1.4
99.04469	3.9
99.08093	5.4
103.05505	1.6
105.04579	1.5
105.07051	9.3
106.04170	5.3
107.04984	2.1
107.08610	42.2
109.06524	26.5
109.10180	15.7
111.08088	4.8
113.09647	1.6
119.08595	5.9
121.06538	10.7
121.10160	35.7
123.08061	7.0
123.11715	4.2
125.06002	2.8
125.09651	12.0
131.08559	8.8
133.10146	20.2
135.08076	17.2
135.11705	7.5
137.09610	2.4
139.07536	2.3
139.11200	3.6
145.10135	4.9
147.11685	8.1
149.05978	7.6
149.09644	10.0
149.13290	19.1
151.11200	100.0
153.09122	9.1
158.10913	3.3
163.11186	2.8
163.14816	8.6
165.12721	6.8
167.14360	11.8
173.13287	14.0
173.73183	1.3
177.05528	3.6
181.08612	1.4
191.14337	45.4
191.16080	2.4
194.97218	1.1
209.11684	1.6
209.15370	19.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1539
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03942	1.5
55.01870	2.1
55.05519	4.7
57.03433	3.7
57.07071	3.1
59.04987	3.0
59.05249	0.9
61.17135	0.8
65.03950	1.3
67.05518	7.6
69.03419	1.5
69.07076	4.8
69.39189	7.6
71.04987	3.5
72.11623	0.9
78.04676	1.5
79.05503	11.1
81.07069	20.2
82.05772	0.8
83.04981	3.5
83.08631	4.4
84.06450	0.8
85.06544	2.5
91.05486	7.9
93.03398	1.9
93.07056	13.8
95.04977	22.0
95.08616	7.3
95.83907	0.8
97.06536	27.4
98.21516	1.7
99.04449	3.5
103.05450	1.8
105.07046	9.2
106.04206	5.0
107.04943	1.1
107.08604	17.1
109.06529	100.0
109.10169	21.2
110.06898	1.4
111.08077	4.4
113.06033	1.3
117.07029	1.0
119.06021	1.0
119.08586	4.1
121.06538	6.1
121.10162	21.4
123.08060	5.5
123.11710	2.1
125.09657	3.8
126.01086	5.8
131.08594	6.4
133.10144	21.0
134.03638	1.1
135.08084	10.1
135.11690	2.7
137.09592	1.4
143.08595	1.1
147.08003	1.0
147.11699	2.7
148.05258	1.3
149.05995	5.4
149.09625	3.1
149.13272	5.3
151.11185	3.1
153.05513	1.0
153.09120	25.1
158.10901	1.1
163.07558	2.0
163.14839	6.0
166.06358	0.8
168.19664	0.9
173.13274	9.2
177.05508	2.2
178.09871	2.3
179.07047	1.1
181.08635	2.8
191.07013	1.1
191.14339	14.6
194.09424	2.6
209.08060	1.8
209.11760	3.0
209.15395	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	209.1539
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03932	7.7
55.01885	15.0
55.05512	12.3
57.03427	4.9
57.07064	3.4
59.04985	4.0
62.96908	1.6
65.03941	8.3
67.05241	1.4
67.05515	15.1
68.85700	1.4
68.99780	2.4
69.03436	18.0
69.07079	11.3
69.62886	10.3
71.05003	9.8
75.04467	7.3
77.03927	3.8
78.04734	8.0
79.05499	21.9
81.03421	14.3
81.06602	2.0
81.07066	31.4
83.04987	10.6
83.08612	4.5
85.02889	7.1
85.06535	3.8
89.03912	4.9
91.05492	41.1
93.03421	21.0
93.07056	36.9
95.04977	42.8
95.08616	19.5
97.06551	16.4
99.04453	5.6
99.08105	4.6
103.05482	17.7
105.04512	2.6
105.07043	15.4
106.04191	51.5
107.04982	7.9
107.07895	2.4
107.08605	36.8
108.05691	1.8
109.05804	3.2
109.06534	53.0
109.10159	13.4
111.08073	4.8
117.03381	5.5
119.04974	3.3
119.08604	13.2
121.05676	3.4
121.06519	59.7
121.10156	30.0
123.04413	3.2
123.08077	20.2
123.11719	12.8
124.05164	1.9
125.06020	14.8
125.09626	9.2
131.04939	4.3
131.08559	8.2
133.06509	2.0
133.10143	11.5
134.03644	10.2
135.04411	3.2
135.08069	8.7
135.10751	2.1
135.11671	9.8
137.05995	8.8
137.09608	5.9
137.13261	3.1
138.06689	2.4
139.07556	3.7
139.11183	2.8
143.08517	2.6
145.02806	3.9
145.10097	7.1
147.04425	3.1
147.08076	1.7
147.11707	12.2
148.05182	8.2
149.06000	71.8
149.09634	27.2
149.13277	14.4
151.07605	2.6
151.11235	18.7
153.05450	6.1
153.09122	24.0
158.10847	1.9
163.03943	1.9
163.07532	4.5
163.11194	6.6
163.14812	7.2
165.12776	100.0
166.06219	2.4
167.07074	3.5
167.10692	5.1
167.14284	5.2
173.09531	2.4
173.13260	9.7
177.05486	32.3
181.08675	12.2
191.07011	4.9
191.10580	3.6
191.14314	23.9
194.05670	1.7
209.08098	19.9
209.11671	6.6
209.15378	57.1
210.15604	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.154
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03940	9.9
53.75341	2.5
55.01881	9.7
55.05522	85.2
57.03439	6.3
57.07085	5.3
59.05014	5.5
65.03943	3.6
66.10664	3.1
67.05519	18.7
69.03442	19.6
69.07090	16.7
69.96651	11.0
71.01363	3.8
71.05020	14.3
72.08151	3.1
79.05508	21.6
81.07063	29.9
83.01363	3.8
83.04997	95.1
83.08638	39.4
85.06525	5.9
88.23228	2.6
91.05494	21.3
92.80108	3.3
93.03433	4.6
93.07059	44.8
95.04987	100.0
95.08629	24.3
97.06563	15.1
97.10175	10.4
99.04473	20.1
99.08114	7.1
101.06026	3.6
103.05505	7.9
105.07042	26.1
106.04201	9.4
107.04999	5.6
107.08614	64.7
109.06525	21.7
109.10178	35.8
111.08112	16.7
117.06992	3.4
119.08610	12.0
121.06503	21.1
121.10167	52.9
123.08092	11.9
123.11732	27.1
125.05996	7.5
125.09653	30.7
127.07561	5.0
128.85390	2.8
129.05037	2.6
131.04974	5.2
131.08589	7.9
133.06474	2.6
133.10146	28.8
134.03674	4.3
135.08102	19.1
135.11714	23.7
137.09665	12.1
139.07607	7.8
139.11154	4.1
145.10130	6.6
147.11726	7.0
148.05214	2.9
149.06027	19.5
149.09650	46.0
149.13290	27.5
151.11211	50.9
153.05527	2.5
153.09132	42.0
158.10947	3.5
163.03894	3.2
163.07581	4.1
163.11188	8.9
163.14836	13.6
165.12733	5.1
167.07077	4.9
167.10890	3.9
167.14355	52.4
173.13290	16.9
177.05507	13.1
181.08597	3.9
181.10106	2.9
191.14357	34.5
209.04454	6.5
209.08206	8.1
209.11650	4.8
209.15407	66.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1538
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03954	3.3
55.01865	3.2
55.05508	6.2
57.03440	2.3
57.07077	2.2
57.60344	2.0
65.03931	3.4
67.05508	7.7
69.03445	12.6
69.07066	6.7
69.69841	2.3
69.74078	14.8
71.04998	2.8
79.05504	24.0
80.86802	2.7
81.07057	34.3
83.04983	5.3
83.08645	3.6
91.05478	20.2
91.24527	2.1
93.03421	3.2
93.07062	16.2
95.04977	7.5
95.08598	9.0
97.06543	6.9
103.05463	4.3
104.52760	2.3
105.07056	13.2
106.04187	9.4
107.04980	3.6
107.08606	66.4
109.06525	41.3
109.10151	10.8
111.08107	3.5
115.05512	4.7
117.07008	2.8
119.08597	9.8
121.06477	12.4
121.10168	30.1
122.07332	6.3
123.08071	4.2
123.11713	5.0
125.09642	8.1
131.08574	7.2
133.10139	100.0
135.08069	28.5
135.11687	4.9
137.05998	2.8
137.09630	76.5
141.05484	2.3
145.10123	3.7
147.11726	4.5
149.05983	9.0
149.09697	4.6
149.13271	18.1
151.11179	5.7
153.09149	5.7
158.10915	4.1
163.14830	7.6
165.12724	3.4
173.13271	8.1
177.05585	5.2
191.07056	3.0
191.14337	27.0
209.15378	23.5
224.86197	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	209.1537
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03943	4.3
53.08189	2.6
55.01858	7.5
55.05513	26.5
57.03424	5.6
57.07057	4.6
58.56139	2.4
59.04993	7.1
65.03947	3.1
67.05495	10.6
69.03416	9.0
69.07077	22.5
69.14313	3.0
69.14986	20.3
71.04981	7.3
75.02134	2.2
79.05506	17.9
81.07058	22.4
83.01347	45.5
83.04987	28.1
83.08614	11.8
85.06547	5.4
85.23499	2.0
91.05474	19.3
93.03387	3.9
93.07052	33.9
95.04960	12.3
95.08608	18.2
97.06533	27.6
97.10175	5.1
98.20752	5.8
99.04472	4.7
99.08102	31.5
101.06015	8.8
101.78867	2.4
103.05503	4.1
105.07043	16.5
106.04155	7.2
107.04964	3.1
107.08595	52.2
109.06522	22.2
109.10154	18.3
111.08093	21.5
114.45073	2.7
119.08585	7.6
121.06539	16.2
121.10142	36.2
123.08060	11.5
123.11702	8.0
125.06013	6.9
125.09620	35.8
131.04929	3.5
131.08583	12.2
133.10147	19.6
135.08067	20.6
135.11691	9.1
137.09587	16.5
139.07547	31.4
139.11194	13.3
145.10106	8.0
147.11732	3.9
149.05986	7.5
149.09637	55.0
149.13272	17.9
151.11206	35.9
153.09125	20.6
154.09869	3.4
163.11192	4.0
163.14839	11.3
167.07077	5.8
167.14304	3.1
173.13211	16.8
177.05484	8.9
177.09148	3.1
181.15878	11.0
191.14323	41.2
209.08131	4.9
209.15384	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1539
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03939	7.7
55.01863	6.3
55.05518	89.2
57.03426	8.9
57.07078	4.7
58.66986	2.3
59.05005	6.9
65.03933	3.3
67.05512	23.9
69.03440	14.6
69.07075	36.0
69.28593	15.8
69.29018	7.0
71.01363	19.5
71.04999	8.8
72.08165	2.7
79.05500	18.0
81.07065	29.8
82.70350	2.2
83.01377	2.5
83.04992	83.5
83.08632	30.9
85.02906	3.0
85.06542	7.4
91.05489	16.7
93.07058	45.0
95.04986	47.9
95.08626	22.2
97.06544	24.9
97.10173	10.7
99.04468	8.1
105.07032	17.8
106.04163	3.5
107.04962	5.2
107.08606	67.0
109.06537	18.3
109.10174	35.4
111.04470	3.4
111.08114	11.6
113.09647	3.6
119.08589	15.3
121.06512	13.7
121.10155	100.0
123.08090	9.1
123.11707	18.2
125.06004	2.9
125.09656	18.0
131.08559	9.1
133.10146	18.9
135.08060	9.8
135.11707	32.9
137.09612	16.1
139.07538	6.0
139.11201	4.5
143.08603	2.4
145.10129	10.0
147.11684	8.4
148.05211	5.1
149.05989	10.3
149.09633	9.7
149.13266	20.9
151.07603	2.9
151.11195	38.7
152.56514	2.6
153.09135	19.0
163.11201	4.8
163.14850	25.1
165.02322	2.2
165.12753	6.3
166.06279	3.3
167.07036	7.7
167.14336	40.7
173.13316	20.0
177.05479	8.6
178.06310	4.4
181.05034	5.7
181.15910	3.3
191.10681	2.9
191.14336	32.8
194.05794	6.9
209.04453	4.4
209.08018	13.7
209.09840	3.1
209.15390	62.1
220.01494	2.1
222.82576	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	209.1538
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
50.46860	0.4
53.03960	2.0
55.01888	5.5
55.05519	26.8
57.03434	0.6
57.07084	3.0
62.18454	0.3
62.56434	0.3
65.03923	0.6
65.17997	0.4
67.05515	13.9
67.52512	0.4
69.03436	1.0
69.07076	4.1
71.00526	0.5
71.00871	0.9
71.05003	1.6
75.71544	0.4
77.68653	0.4
79.05504	13.3
81.07066	17.6
83.04992	100.0
83.08629	3.7
84.05321	0.5
85.02922	0.6
85.06557	1.8
87.04489	0.6
91.05498	6.6
93.07056	21.8
95.04991	2.1
95.08619	16.2
97.06543	2.0
97.10194	1.7
99.08128	0.8
103.05502	0.5
105.04476	0.5
105.07027	3.2
107.04978	0.7
107.08610	15.4
109.06543	2.8
109.10175	4.4
111.04465	0.9
111.08097	6.9
113.09680	0.4
117.07031	1.4
117.96001	0.8
119.06016	0.5
119.08607	1.5
121.06544	2.2
121.10154	8.1
123.08071	0.8
123.11697	1.1
125.05978	0.5
125.09619	2.0
131.04948	0.6
131.08623	3.6
133.10133	1.9
135.08046	3.5
135.11717	1.2
137.09604	0.5
139.07588	0.7
145.02861	0.6
145.10159	1.6
147.11728	1.8
149.05968	0.9
149.09627	2.5
149.13274	7.7
151.11224	0.6
153.09114	1.9
153.11665	0.4
163.11237	0.6
163.14851	6.8
173.13348	2.6
177.05486	1.0
181.15927	1.0
185.59494	0.5
191.14317	5.2
209.04510	1.6
209.09750	1.0
209.11607	0.7
209.13460	0.9
209.15370	11.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1537
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03949	2.5
55.01877	6.4
55.05517	5.5
55.45612	1.1
57.07061	4.7
62.39299	1.3
65.03938	3.3
67.05516	8.0
69.03429	6.7
69.07082	7.4
69.47748	8.6
71.04977	4.6
78.04691	2.9
79.05500	8.6
81.03388	1.7
81.07069	12.3
83.04974	5.4
83.08614	3.0
85.06562	2.4
87.10248	1.1
89.03914	1.7
91.05482	14.3
93.03391	4.1
93.07054	12.5
95.04982	8.6
95.08617	11.7
97.06567	8.1
97.10163	1.4
99.04494	2.0
103.05506	3.3
105.07040	8.1
106.04173	11.9
107.04993	1.8
107.08606	18.3
109.06528	100.0
109.10179	13.8
111.08073	2.3
113.09668	1.2
116.06248	1.2
117.07013	3.6
119.04973	1.9
119.08582	3.1
121.06508	17.5
121.10155	13.0
123.08107	11.1
123.11713	2.8
125.05989	3.5
125.09567	2.2
126.03857	1.2
131.04918	2.5
131.08578	8.8
133.10135	5.9
134.03647	2.9
135.08064	24.6
135.11691	3.8
137.05959	2.0
137.09656	3.1
139.07507	1.9
143.08609	2.1
144.19482	1.2
145.02866	1.5
145.10132	4.6
145.84250	1.2
147.11716	4.1
148.05225	2.1
149.05983	16.2
149.09651	7.3
149.13239	5.9
150.10428	1.3
151.07498	1.7
151.11194	15.6
153.05447	3.2
153.09142	6.4
158.10968	1.7
159.04388	1.4
163.07593	1.3
163.11186	2.2
163.14822	2.5
165.06972	1.2
165.12762	2.2
167.10728	2.2
167.14297	1.3
173.13274	11.0
177.05467	9.2
179.08482	2.5
181.08601	4.1
182.63313	1.3
191.07109	2.1
191.14311	29.1
194.10886	1.6
209.08032	3.8
209.11653	2.3
209.15366	15.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1539
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03935	2.4
55.01874	4.5
55.05517	70.5
57.07101	3.7
59.05001	4.1
67.05515	12.1
69.03433	8.8
69.07070	12.8
70.90405	1.8
70.90750	4.0
71.04998	6.1
78.04709	1.7
79.05507	15.3
81.07067	17.8
83.04989	100.0
83.08150	3.3
83.08627	41.0
84.08129	1.9
85.02872	2.3
85.06550	2.3
86.62996	1.6
91.05509	10.2
93.07047	33.0
95.04980	32.0
95.08625	11.9
97.06538	10.5
97.10191	8.2
99.04484	5.5
103.05489	2.9
105.07029	9.5
106.04185	5.4
107.04947	3.2
107.08607	40.0
109.06529	18.3
109.10174	19.5
111.08092	14.3
113.09720	1.9
119.08585	6.2
121.06486	9.3
121.10156	84.4
123.08085	3.9
123.11717	13.1
125.05973	2.2
125.09664	14.7
131.04971	2.7
131.08578	2.6
133.10152	8.9
135.08090	3.6
135.11687	6.0
137.09604	2.7
139.07555	2.3
145.10178	2.7
147.11670	2.4
148.05101	2.8
149.05995	8.2
149.09642	3.6
149.13303	10.1
150.05516	1.7
151.11182	30.8
153.09113	8.0
163.14825	13.2
167.14339	57.5
173.13261	6.2
177.05528	6.4
177.93062	1.6
191.14313	9.9
209.04568	2.2
209.08072	7.3
209.15382	31.9
226.57127	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1539
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03939	4.5
55.01876	6.5
55.05519	41.7
57.03439	6.1
57.07069	5.8
59.05011	6.0
65.03946	3.0
66.31767	2.5
67.05518	16.7
69.03439	13.3
69.07073	22.1
69.62337	12.1
71.04984	9.1
78.04708	4.0
79.05509	15.4
81.07075	24.1
83.01352	42.8
83.04992	39.3
83.08637	15.2
85.02942	3.1
85.06538	5.1
91.05502	21.2
93.03408	6.9
93.07067	36.8
95.04983	20.3
95.08620	26.8
97.06539	28.0
99.04455	7.0
99.08092	28.9
100.77982	2.0
101.06024	7.8
103.05473	5.4
105.04562	2.9
105.07033	13.1
106.04195	12.6
107.04980	5.0
107.08617	52.6
109.06539	21.0
109.10162	25.3
109.96967	2.3
111.04378	2.3
111.08085	19.9
113.05987	2.6
117.07013	3.2
119.08616	14.6
121.06509	22.6
121.09320	4.0
121.10156	42.1
123.08052	13.5
123.11726	7.4
125.06020	6.7
125.09655	30.1
126.50005	2.3
131.08621	12.3
133.10141	27.4
134.03621	3.7
135.08076	18.9
135.11681	13.2
137.05954	2.7
137.09608	11.4
139.07555	20.0
139.11212	13.4
143.08592	2.8
145.10135	7.3
147.11697	7.5
148.05180	3.4
149.05977	17.2
149.08563	3.9
149.09645	39.3
149.13339	16.2
151.10133	4.3
151.11212	39.7
153.09105	23.6
154.09917	4.7
155.10681	2.9
161.13280	2.6
163.07559	3.0
163.11208	5.4
163.14839	10.5
165.12750	5.4
167.10742	4.5
167.14314	8.0
173.13292	19.6
177.05519	13.8
181.15874	9.9
189.36768	2.3
191.10648	2.6
191.14340	42.7
194.05701	5.3
209.08046	14.8
209.11670	4.4
209.15399	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0811
Annotation	Hofmeisterin
Peak:m/z	Relative Intensity
51.02380	1.4
53.03950	9.1
55.01630	1.9
55.01874	25.6
55.05506	10.1
56.31813	1.2
57.03422	2.5
57.07061	3.8
61.02934	1.9
65.03938	16.7
67.05502	13.2
69.03417	6.3
69.07073	9.7
70.38800	4.9
71.04993	8.3
75.04491	11.6
77.03922	3.0
78.04712	13.1
79.05499	17.5
81.03407	2.5
81.07059	18.0
83.04995	9.3
83.08612	4.6
83.98210	1.4
85.02900	9.6
85.06526	1.4
89.03936	7.5
89.06026	2.7
91.05486	56.9
93.03412	27.4
93.07050	27.6
95.04979	26.8
95.08606	13.9
97.02882	1.9
97.06536	16.1
99.08076	1.9
102.04658	1.5
103.05477	26.5
105.03395	2.1
105.04514	4.1
105.07029	11.3
106.04179	83.6
107.04974	8.3
107.08587	18.5
108.05759	3.3
109.06522	100.0
109.10169	14.8
111.04442	4.9
111.08051	6.5
117.03410	9.7
117.06996	3.4
118.04197	2.7
119.04934	5.9
119.08585	5.5
120.05694	2.5
121.02878	1.4
121.06507	80.4
121.10136	14.2
122.07262	2.3
123.04423	4.2
123.08067	14.0
123.11670	2.5
124.05204	2.1
125.05997	16.3
125.09637	6.3
131.04947	12.1
131.05783	2.1
131.08548	8.0
133.06456	2.0
133.10141	6.6
134.03610	14.9
135.04379	3.7
135.08055	23.2
135.11679	8.5
137.06004	12.4
137.09590	1.9
138.06750	3.8
139.07521	6.0
139.11201	2.3
145.02849	8.4
145.10124	8.0
147.04410	2.8
147.11708	3.3
148.05255	9.1
149.05991	99.9
149.09576	7.3
149.13257	8.9
150.10417	1.6
151.03893	3.4
151.07536	4.6
151.11136	7.0
153.05515	7.3
153.09097	22.6
155.08514	1.4
159.04427	3.5
161.44208	1.4
162.03140	1.8
163.03889	1.8
163.07579	7.3
163.11166	6.7
163.14825	3.9
165.12744	2.7
166.06236	3.7
166.07686	2.6
167.07104	2.4
167.19098	1.6
173.13278	7.4
176.04671	1.9
177.05482	52.0
179.08582	3.5
179.88864	1.3
181.08649	17.6
181.10130	3.4
191.07018	8.6
191.10632	3.7
191.14316	24.6
193.04866	1.8
194.05768	3.0
209.04436	4.3
209.08090	27.5
209.09705	2.7
209.11588	3.1
209.13336	4.9
209.15381	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	209.081
Annotation	Hofmeisterin
Peak:m/z	Relative Intensity
51.02375	2.3
53.03949	10.9
55.01877	22.7
55.05515	12.7
57.03442	6.4
57.07090	3.3
59.05008	2.7
62.77755	1.3
65.03947	19.4
66.44868	1.5
67.05513	18.3
69.03441	5.8
69.07065	11.9
69.78447	2.4
69.78848	6.0
71.01369	2.5
71.04983	8.0
71.90139	1.4
72.14939	1.4
75.04495	12.5
77.03947	4.2
78.04708	14.2
79.05502	20.9
81.03439	4.3
81.07069	26.9
82.04240	1.8
83.05001	12.0
83.08616	7.5
85.02916	11.6
85.06581	3.3
89.03941	8.5
89.06038	2.1
91.05491	64.3
92.05802	2.1
93.03410	28.9
93.07053	41.8
95.04977	46.6
95.08617	15.5
97.06542	28.6
97.10220	4.1
98.20809	2.3
99.04486	6.8
99.08089	2.9
103.05481	25.7
105.03402	3.1
105.04532	4.0
105.07034	17.2
106.04185	85.9
107.04995	9.8
107.08607	40.2
108.05757	2.7
109.06531	47.3
109.10159	17.3
110.09866	1.3
111.04452	4.5
111.08118	5.8
117.03429	8.6
117.07072	3.4
118.04175	2.7
119.04976	7.0
119.08611	9.2
120.05770	3.8
121.06515	100.0
121.10159	31.8
122.03665	1.8
123.04479	3.6
123.08082	10.7
123.11698	9.0
125.06002	24.7
125.09657	8.6
131.04984	9.3
131.05865	1.7
131.08549	7.3
133.02905	2.6
133.06548	3.9
133.10126	16.4
134.03638	16.8
135.04431	2.8
135.08061	14.8
135.11723	11.4
137.06001	13.2
137.09654	4.2
137.13348	2.8
138.06805	6.8
139.07529	9.1
139.11224	3.2
145.02861	10.7
145.10112	7.2
147.04445	3.4
147.11687	9.7
148.05177	9.1
149.06000	95.5
149.09631	13.9
149.13298	14.7
151.03932	3.5
151.07561	5.3
151.11200	24.4
152.08440	2.6
153.05516	7.7
153.09116	35.6
158.11011	2.4
159.04460	3.9
163.03947	2.7
163.07567	5.0
163.11244	5.4
163.14847	9.7
165.05577	1.8
165.06967	1.4
165.12749	11.9
166.06258	5.1
167.07120	3.8
167.10735	4.1
167.14302	7.4
173.13277	11.6
176.04736	3.7
177.05499	47.8
180.07837	2.1
181.08630	23.2
191.07019	9.2
191.10733	5.3
191.14319	34.4
194.05809	2.2
209.06186	2.1
209.08075	29.1
209.09900	2.0
209.11787	5.7
209.13477	1.8
209.15382	42.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1382
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
51.27821	0.7
53.03934	1.9
55.01871	1.5
55.05517	5.8
55.32913	0.7
57.03426	1.3
57.07064	2.6
59.05001	1.2
62.41941	0.7
65.03944	2.3
67.05508	14.3
69.03092	1.0
69.03442	13.6
69.07073	9.4
69.26260	7.7
71.05010	6.1
78.04670	0.8
79.05502	9.7
79.15356	0.8
81.03421	2.4
81.07072	9.3
83.04977	6.3
83.08620	2.2
85.02904	7.8
85.06541	6.9
90.08304	0.8
91.05486	17.6
93.07054	11.2
95.04977	11.5
95.08615	12.7
97.06548	12.1
99.04447	1.9
101.06004	1.8
103.05455	3.2
105.04545	1.0
105.07042	25.5
107.04966	3.1
107.08602	22.4
108.05728	1.2
109.06530	45.7
109.10177	7.0
109.85481	0.8
110.07328	1.7
111.04461	1.5
111.08092	28.9
113.06020	1.3
115.05452	4.2
117.07045	4.1
118.04153	1.8
119.04948	7.0
119.08595	23.7
120.17816	0.8
121.06516	7.1
121.10160	14.8
123.04430	10.9
123.08080	17.3
123.11736	7.2
125.09621	1.8
128.06224	1.4
129.03389	1.9
129.06987	2.0
131.04965	3.7
131.08595	3.7
132.05713	2.9
133.06512	18.6
133.10152	14.1
134.07253	1.1
135.08061	5.8
135.11693	2.2
136.05231	1.0
137.06023	4.6
137.09621	9.8
137.13254	2.7
138.06743	0.8
139.07579	1.5
141.06992	1.4
143.08562	2.3
145.06526	3.9
145.10150	3.5
146.03613	1.3
146.07268	2.7
147.04402	6.0
147.08076	10.3
147.09143	1.6
147.11711	26.2
148.05212	0.9
149.02356	4.1
149.06027	5.8
149.09633	24.6
151.07544	15.5
151.11292	0.9
156.09364	8.5
159.08075	3.5
159.11646	1.9
160.05241	1.0
160.08882	1.0
161.06001	47.1
161.09641	6.8
161.13287	14.4
162.06703	1.7
163.03880	1.1
163.07555	4.1
163.11180	6.1
164.04713	3.9
164.08319	3.3
165.09138	6.7
165.12753	13.0
171.11699	11.0
174.03145	1.4
174.10439	7.0
175.03963	1.4
175.07555	8.8
176.08345	100.0
177.04036	0.9
177.05484	7.2
177.09062	7.8
179.07095	5.6
179.10681	3.0
179.14313	3.0
189.08936	1.4
189.10367	1.7
189.12758	24.2
192.04204	2.4
192.07848	7.7
207.06584	12.0
207.10162	37.4
207.13818	46.6
208.10585	1.5
208.14214	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.138
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03938	2.1
55.05523	7.7
56.20461	1.2
57.03420	1.6
57.07078	4.1
59.04993	2.9
67.05511	30.3
69.03432	2.6
69.07072	4.1
70.29431	2.8
70.29831	2.9
71.04994	1.2
73.04785	1.3
79.05486	5.4
81.07065	8.5
83.04991	2.4
85.02918	7.6
85.06560	9.0
91.05482	10.1
93.07062	9.3
95.04965	3.9
95.08614	100.0
98.20853	1.5
105.07038	19.2
107.08595	17.0
109.06510	6.1
109.10167	4.6
113.06028	3.8
117.06974	2.2
119.08593	28.1
120.09352	1.5
121.06501	3.7
121.10149	16.4
123.08076	54.4
123.08975	2.8
123.11710	9.3
131.08553	5.4
133.06509	2.3
133.10127	4.3
135.08052	2.3
135.11676	3.9
137.09630	5.5
137.13258	3.1
139.07486	2.8
143.08553	2.8
144.09117	1.4
145.10155	2.2
147.08066	4.9
147.11705	17.4
149.09636	37.7
151.07587	3.2
151.14845	4.4
153.09048	1.5
156.09372	4.4
159.07979	2.0
160.08806	1.7
161.13266	18.7
163.11267	2.5
165.09077	2.3
165.12749	9.4
171.11694	3.0
173.09416	1.5
174.10388	3.3
179.14223	2.3
189.12743	18.9
207.13814	34.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1382
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03939	7.4
55.01876	7.0
55.05512	14.6
57.03445	4.0
57.07064	6.5
59.14265	1.6
65.03944	6.8
67.05510	57.1
69.03438	74.8
69.06727	2.9
69.07075	30.1
69.83290	10.4
71.04984	5.6
79.05499	28.0
81.03421	14.2
81.07065	31.8
83.04992	16.6
83.08630	6.0
85.02921	4.0
85.06560	4.4
91.05491	32.5
93.07053	27.0
95.04984	39.8
95.08617	31.9
97.02908	1.8
97.06543	19.1
98.21517	2.0
99.04491	3.8
103.05488	3.4
103.78387	1.6
105.03394	3.1
105.07040	59.6
106.03738	3.5
107.04951	6.9
107.08595	28.2
109.06527	39.8
109.10172	15.2
110.07282	8.3
111.08081	11.3
115.05478	2.5
117.07021	7.0
118.04131	2.0
119.04940	6.8
119.08594	58.4
121.06536	9.1
121.10156	33.7
122.07315	2.2
123.04446	59.4
123.08085	24.9
123.11720	4.8
125.09660	16.6
128.06227	2.8
129.07028	5.4
130.07751	4.5
131.08569	8.7
133.06503	12.4
133.10146	81.1
135.08093	12.2
135.11703	10.4
136.05310	1.9
137.06018	13.4
137.08856	2.1
137.09644	25.9
137.13303	2.4
141.06894	3.0
143.08560	4.6
145.06499	2.7
145.10136	14.7
147.04376	4.6
147.08078	10.8
147.11694	31.4
149.02328	4.1
149.09639	22.9
151.07597	9.5
151.11124	2.3
153.09094	4.9
156.09390	14.7
159.08098	3.4
159.11696	8.1
161.09659	6.6
161.13266	33.8
163.11212	22.3
164.04720	5.2
165.09135	4.7
165.12740	10.5
171.11699	12.5
174.10423	9.5
177.12740	4.6
179.07086	6.1
179.14331	8.6
189.09109	3.5
189.12753	28.4
192.04147	2.7
207.06665	11.2
207.13831	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1381
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
51.67355	2.0
55.05505	6.9
59.05011	2.9
60.74320	2.4
67.05511	18.3
69.03425	9.7
69.07061	8.8
70.62571	5.1
70.62943	5.0
71.04999	4.6
72.43168	2.4
73.03130	2.5
79.05489	10.3
81.07056	13.1
83.04993	5.8
85.02886	6.5
85.06538	3.8
91.05482	19.0
93.07059	18.8
95.04981	5.5
95.08612	64.1
97.06528	3.0
105.07037	39.5
107.08611	27.6
109.06522	14.7
109.10172	5.4
111.08025	2.6
113.06004	2.6
117.07034	5.3
119.04971	2.8
119.08588	48.3
121.06490	3.0
121.10149	24.7
123.08075	42.9
123.11692	7.5
128.06207	3.8
129.07008	4.1
131.08578	16.5
133.06548	4.4
133.10130	21.5
135.08051	3.0
135.11647	4.0
137.05923	3.2
137.09618	8.5
137.13261	4.2
143.08543	6.7
145.10159	9.6
146.10901	3.8
147.08029	11.9
147.11700	43.0
149.09625	90.3
151.07552	7.9
156.09380	10.7
159.08084	5.8
160.08771	2.9
161.05951	3.7
161.09595	3.5
161.13268	40.6
163.11174	8.6
165.12773	14.8
171.11641	9.8
174.10405	10.9
189.12761	52.4
207.13821	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1383
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03945	4.8
55.01865	6.4
55.05517	13.5
57.03426	3.8
57.07064	5.9
58.31736	2.1
59.04992	3.5
62.50983	2.0
65.03938	7.0
66.96702	2.1
67.05184	3.1
67.05512	34.8
69.03440	27.6
69.07072	16.5
71.05007	11.5
71.40357	2.6
79.05496	22.8
81.03419	4.6
81.07066	40.4
83.04991	16.5
83.08634	4.1
85.02917	14.5
85.06537	6.0
91.05488	44.7
93.07059	32.4
95.04488	1.9
95.04993	15.6
95.08620	100.0
97.06538	8.4
99.04422	2.8
99.08107	8.5
100.27971	2.1
103.05475	5.0
105.03405	2.9
105.07048	57.8
107.04986	3.4
107.08611	47.1
108.05752	2.5
109.06536	18.8
109.10169	15.4
111.08088	6.3
113.06002	5.8
115.53653	2.0
117.07032	7.5
118.04169	3.4
119.04959	21.0
119.08597	65.3
119.10770	2.1
121.02244	9.7
121.06527	15.2
121.10149	31.0
123.04475	11.7
123.07202	4.4
123.08086	66.5
123.11716	15.8
125.05968	2.8
125.09646	5.9
128.06218	3.9
128.70399	2.1
129.07001	4.3
131.08591	12.8
133.06528	9.5
133.07434	2.5
133.10141	33.1
135.04446	2.1
135.08083	11.6
135.11687	9.2
136.05208	4.8
137.05997	8.0
137.09651	15.9
139.07581	3.3
143.08554	6.4
145.06488	3.1
145.10139	11.5
146.03690	3.8
147.04424	12.9
147.08052	16.3
147.11716	48.2
149.02361	7.1
149.09634	63.3
151.07565	18.0
151.11169	3.0
151.14825	3.4
153.09108	2.3
156.09431	11.1
159.08066	2.7
159.11719	3.3
160.08902	2.4
161.06009	4.4
161.09654	10.9
161.11996	3.0
161.13275	40.0
162.05554	3.1
163.04022	2.5
163.11212	12.4
164.04701	10.0
165.09132	6.6
165.12799	16.7
171.07657	2.2
171.11705	8.7
174.06642	2.4
174.10439	8.5
175.03952	7.5
176.08322	2.8
177.12762	3.0
179.07069	9.2
179.14336	4.0
189.09105	3.7
189.12772	50.4
189.16316	2.5
192.04193	9.0
207.06523	26.1
207.10123	6.2
207.13828	99.3
208.06160	2.9
213.82899	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1383
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99651	2.7
53.03941	5.9
55.01857	3.9
55.05513	14.2
57.03429	4.7
57.07063	2.5
59.04987	5.0
65.03925	4.8
65.15593	2.4
67.05508	41.2
69.03436	28.9
69.07082	15.0
70.62437	4.7
70.62770	3.6
71.04978	9.4
79.05498	25.4
81.03428	6.6
81.07065	40.7
83.04993	12.1
83.08620	4.2
83.45843	2.2
85.02909	5.6
85.06534	6.8
91.05494	39.2
93.07051	25.9
95.04456	2.7
95.04979	16.8
95.08611	86.6
97.06521	8.7
99.08089	7.5
103.05443	4.4
105.07040	57.4
107.04958	6.6
107.08599	36.1
109.06526	21.6
109.10142	10.6
109.30543	2.2
111.08087	5.4
113.06004	3.2
115.05419	3.8
117.07014	5.1
118.04147	3.1
119.04972	21.0
119.08591	60.7
121.02267	5.2
121.06523	12.5
121.10162	29.0
123.04441	16.8
123.08076	67.5
123.11716	18.5
125.06090	2.5
125.09620	3.5
128.06261	3.7
129.06976	4.9
130.07811	3.7
131.08600	12.7
133.06496	11.4
133.10138	39.4
134.06015	2.3
135.08060	10.4
135.11714	9.1
136.05186	5.7
137.05946	5.7
137.09644	12.0
139.07626	3.8
143.08533	5.8
145.10138	12.8
146.03700	4.2
146.07251	3.0
147.04428	10.7
147.08083	17.1
147.11697	42.1
149.02353	7.7
149.09647	58.9
151.07549	18.7
156.09395	11.5
159.08086	6.7
159.11710	6.7
161.05988	4.1
161.09625	15.7
161.13284	37.9
163.03946	3.8
163.07455	2.4
163.11200	13.6
164.04684	10.4
165.09103	5.5
165.12772	15.5
171.11737	11.5
174.10440	8.8
175.03897	6.9
176.08305	2.9
177.12796	5.1
179.07043	11.1
179.14346	5.2
189.09053	3.9
189.12766	50.0
189.16304	2.5
192.04169	7.3
207.06549	29.9
207.10181	7.7
207.13814	100.0
207.17271	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	207.1381
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03933	2.2
55.01857	3.4
55.05511	5.7
57.03425	2.0
57.07059	2.9
59.04998	1.4
63.05492	0.9
65.03927	2.4
67.05507	9.9
69.03439	7.6
69.07059	3.8
70.85791	1.8
70.86126	1.3
71.04977	4.3
79.05499	11.4
81.03383	1.0
81.06596	1.4
81.07059	22.5
82.07397	1.1
83.04971	4.0
85.02911	100.0
85.06537	2.1
91.05489	31.4
93.07056	12.7
95.04950	4.0
95.08618	11.9
97.06506	1.7
98.97586	8.1
99.04476	1.4
103.05456	2.6
105.07040	25.0
107.04939	2.2
107.08595	12.7
109.06509	8.3
109.10160	19.3
111.04429	2.4
111.08035	1.2
115.05432	2.7
116.98631	1.0
117.07000	3.2
118.04163	2.6
119.04951	16.4
119.08591	27.1
121.06514	4.7
121.10158	18.5
123.04443	10.5
123.08094	7.8
123.11717	61.7
125.06005	12.2
128.06221	2.7
129.06999	1.4
131.08583	6.0
132.02069	1.6
133.06480	3.7
133.10158	9.9
135.08064	5.3
135.11697	2.0
136.05226	1.1
137.05969	4.2
137.09595	3.9
141.07056	1.1
142.07869	0.9
143.04916	1.7
143.08633	6.5
145.10129	8.4
146.03600	1.8
146.07211	1.2
146.10934	1.1
147.04428	15.2
147.08070	9.8
147.10651	1.7
147.11699	17.4
149.02313	4.4
149.09625	21.2
151.03883	1.5
151.07582	8.5
151.11197	1.8
154.90175	0.9
156.09355	3.9
157.03987	2.0
158.99680	2.3
159.05704	1.0
159.08061	1.5
159.11652	1.4
161.06004	7.7
161.09650	7.3
161.13231	9.5
163.03987	1.2
163.11192	4.2
164.04692	3.8
165.05475	1.3
165.09126	2.9
165.12715	4.3
171.08029	2.8
171.11697	3.0
174.06662	1.3
174.10384	3.7
175.03914	10.5
177.05482	1.8
179.07056	5.0
179.10654	1.1
179.14247	1.9
180.95721	1.1
189.09166	5.4
189.12746	15.7
192.04201	7.0
207.06517	13.8
207.10178	10.0
207.13803	48.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1018
Annotation	p-Methoxycinnamic acid ethyl ester
Peak:m/z	Relative Intensity
55.05523	1.4
57.03441	1.1
58.82089	0.6
59.08413	0.6
65.03936	1.1
67.05495	2.4
69.03445	3.0
69.07072	1.2
70.63065	1.9
71.05002	0.7
79.05502	3.4
81.07071	2.7
83.04993	1.6
85.02920	2.0
86.05058	0.7
87.36969	0.6
91.05492	11.8
93.03389	1.0
93.07068	3.0
95.04989	2.1
95.08616	3.6
103.05466	2.9
105.07043	9.4
107.04954	1.5
107.08603	4.3
109.06525	2.8
109.10146	1.5
111.08106	0.7
115.05472	4.2
117.07021	2.5
118.04150	1.1
119.04951	7.6
119.08600	6.7
121.02885	0.6
121.06521	5.7
121.10153	3.5
123.04447	1.9
123.08095	2.9
123.11740	0.9
129.03354	1.8
129.07018	0.7
131.04984	3.9
131.08545	1.0
132.05708	3.0
133.06505	16.9
133.10132	2.8
135.08046	0.7
136.05229	3.4
137.09669	1.2
138.06783	1.0
143.06067	0.8
143.08577	0.8
145.06500	2.6
145.10136	1.0
146.03632	2.1
146.07272	2.6
147.04427	6.5
147.08073	5.2
147.11694	5.5
148.05186	0.6
149.02368	6.7
149.06001	5.7
149.09680	2.1
151.07539	10.8
156.09322	0.8
160.05208	1.4
161.05998	42.6
161.09724	1.1
161.13281	4.6
162.06708	1.4
163.03931	1.9
163.07556	3.4
163.11140	1.1
164.04694	8.3
164.08302	1.4
165.12773	2.9
169.29427	0.7
171.11685	1.2
174.03140	2.4
174.06851	0.8
174.10455	0.8
175.03966	1.0
175.07588	8.7
176.08342	100.0
177.05502	8.4
177.09111	7.8
179.07060	8.1
179.10616	1.5
184.39702	0.6
189.09152	1.1
189.12744	5.1
191.03433	0.7
192.04239	4.2
192.07816	9.1
207.04614	1.0
207.06566	17.8
207.10178	35.9
207.13733	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	207.1019
Annotation	p-Methoxycinnamic acid ethyl ester
Peak:m/z	Relative Intensity
53.03955	0.6
55.01875	0.4
55.05507	1.0
58.51411	0.3
59.96060	0.3
61.93848	0.3
67.05514	1.1
68.99807	0.3
69.03427	0.6
69.07046	0.5
70.64057	0.9
71.04990	0.4
75.04489	0.5
75.62411	0.4
78.04707	0.4
79.05498	1.1
81.07044	1.5
83.04966	0.3
85.02915	0.7
86.59943	0.3
89.03914	0.4
91.05487	5.1
93.07085	1.6
95.04990	0.7
95.08613	1.7
103.05502	1.6
104.06274	1.0
105.03438	0.5
105.07037	6.0
106.04207	0.4
107.04966	1.6
107.08639	1.8
109.06541	1.1
109.10139	1.0
111.08071	0.6
115.05462	3.0
116.06220	0.8
117.03344	0.5
117.07046	1.8
118.04180	0.6
119.04959	2.4
119.08607	3.0
121.06519	3.8
121.10140	1.7
123.04430	0.5
123.08062	2.0
123.11687	0.8
125.06056	0.6
125.09726	0.3
129.03354	2.2
129.07008	0.4
130.04199	0.5
131.04955	3.6
132.05717	2.5
133.06509	16.3
133.10118	1.4
135.08041	1.4
136.05209	1.0
137.05975	0.9
137.09615	1.5
138.06737	0.8
139.07513	0.7
143.05009	0.4
143.06017	0.6
144.05661	0.5
145.02888	0.5
145.06499	3.4
145.10103	0.6
146.03690	0.5
146.07265	2.0
147.04430	1.0
147.08064	4.5
147.11694	2.4
148.05307	0.4
149.02298	0.7
149.06004	4.7
149.09642	1.9
151.07561	6.8
151.11212	0.4
160.05232	1.5
161.06000	44.8
161.13310	2.7
161.43819	0.4
162.06789	1.6
163.03960	0.8
163.07571	3.5
163.11186	0.5
164.04710	1.1
164.08345	1.8
165.05318	0.3
165.12781	0.9
171.11604	0.4
174.06757	1.0
175.03963	0.5
175.07558	8.0
176.08345	100.0
177.05487	6.7
177.09093	5.3
179.07108	1.7
179.10715	2.2
189.12776	2.4
191.07022	1.2
192.04184	0.5
192.07843	8.2
207.06596	2.0
207.10188	38.2
207.13568	4.7
208.10504	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.0815
Annotation	Oxyhydrastinine
Peak:m/z	Relative Intensity
53.03961	0.9
54.03486	0.8
55.05523	0.9
57.03446	0.6
65.03946	3.0
67.05511	26.4
68.05897	0.4
68.06268	0.4
69.03442	1.0
69.07092	1.5
70.40775	0.8
70.41142	0.9
71.05000	0.6
72.04532	0.6
72.08177	0.5
75.31664	0.4
79.05502	6.4
80.05020	0.8
81.03436	0.9
81.05810	0.5
81.07064	3.4
82.02953	3.5
82.06612	0.8
83.05004	0.8
84.04528	2.3
84.08165	0.5
85.02911	0.6
91.05503	2.3
92.05054	0.4
92.05838	0.8
93.05806	1.7
93.07057	1.2
94.06588	2.1
94.07352	0.6
95.04977	14.6
95.05566	0.9
95.08638	1.5
96.04494	4.6
96.05778	1.2
97.06564	0.8
103.05504	0.4
105.07047	4.3
106.06572	1.8
106.07343	0.8
107.07358	4.5
107.08599	1.3
108.08132	19.8
109.06536	0.8
110.02441	0.7
110.06058	6.0
115.05468	0.7
117.05754	1.1
118.06449	0.4
118.07359	0.8
119.04957	1.0
119.08623	1.5
120.08932	0.6
121.06505	1.0
121.10141	0.8
122.02423	1.0
122.06039	1.6
122.06878	1.0
122.09685	8.3
122.10506	0.8
123.04421	0.8
123.08061	0.5
125.06075	0.4
130.07385	0.4
132.08099	1.9
132.08975	0.8
133.06526	0.8
133.10144	0.7
134.06029	1.6
134.10555	0.4
135.06822	2.4
135.07967	0.6
135.11745	0.5
136.12007	0.4
145.10104	0.8
146.05948	0.7
146.06960	0.4
146.10509	0.9
147.04388	0.9
147.11679	0.6
148.07538	0.9
149.02374	0.4
149.09686	0.6
150.02730	0.7
150.09157	34.8
151.07607	0.5
151.09428	0.8
152.07051	0.7
160.07599	1.5
160.12059	1.1
161.05899	0.6
161.09604	1.0
161.13246	0.8
164.11533	0.7
174.93243	0.5
175.03958	1.0
176.08014	0.5
178.08649	100.0
179.08992	1.1
189.12843	0.8
192.94417	0.6
206.08138	60.0
206.15930	0.8
207.06438	1.5
207.08430	1.3
207.10213	0.9
207.13808	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.0627
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02039	0.6
53.03936	2.6
55.01865	2.7
55.05517	17.9
56.05033	0.9
56.05860	1.2
56.96568	51.4
57.03438	9.7
58.06577	0.7
59.04988	1.3
59.69711	0.7
60.04512	1.6
60.95857	0.9
61.02931	4.0
64.55051	0.7
65.03936	0.9
67.05503	2.1
69.03084	0.9
69.03434	12.5
69.38017	5.2
70.03751	1.1
70.06596	1.8
70.98127	0.9
71.01357	9.7
71.04988	2.1
71.95265	1.9
72.01670	0.9
72.08167	0.9
73.02921	9.7
73.06558	15.2
74.06882	1.1
74.93171	1.2
74.97602	1.9
75.04472	0.8
76.92877	1.1
77.17564	0.7
79.05492	1.6
80.04999	0.9
81.03417	5.9
82.03732	0.7
83.00789	0.9
83.01308	1.0
83.02602	1.5
83.04966	1.0
84.04498	2.4
84.08143	1.5
84.96032	8.1
85.02906	17.9
85.05291	1.3
85.06563	1.4
86.03214	1.2
86.09724	1.6
87.04494	3.6
87.83640	0.7
89.00763	1.9
90.01569	0.8
90.05551	1.6
91.05486	1.6
92.03104	1.2
93.07037	0.8
95.00773	1.0
95.04971	1.6
96.08131	1.9
97.02292	1.2
97.02897	16.1
97.96791	1.5
98.01316	1.1
98.03201	1.9
98.18100	0.7
98.97589	55.4
99.04442	2.2
99.97902	1.3
100.02213	1.5
100.03953	0.7
100.97167	0.8
101.00801	2.7
101.02406	1.2
102.96894	1.0
104.01339	0.8
104.03129	1.1
105.07023	1.3
107.04948	1.5
108.01543	1.2
109.02887	2.8
110.01291	3.1
110.03142	2.5
110.06052	1.4
110.97572	12.8
111.02045	1.4
111.03833	0.9
112.99129	2.4
112.99902	0.7
113.02393	1.9
114.05535	0.8
114.65282	0.7
115.00626	1.0
115.02420	0.7
116.01733	4.5
116.03083	0.9
116.98630	16.2
117.03875	1.8
117.05782	1.6
117.98952	1.0
118.02805	0.9
119.01813	7.9
119.03664	1.1
120.02590	2.4
121.06507	0.8
122.01279	0.7
122.06013	1.1
123.04448	6.1
124.00996	1.2
124.07624	1.2
124.99123	1.9
125.01779	0.9
125.03616	1.7
126.97031	1.3
127.00687	1.3
127.03938	2.5
128.02318	2.5
128.07066	1.0
128.98613	10.4
129.02237	3.2
129.03107	1.7
129.98940	0.8
130.02870	0.7
131.00214	1.5
131.01874	2.6
131.03636	1.0
132.04356	1.4
132.08109	4.9
133.01726	0.9
133.03439	0.9
134.53032	0.7
134.99646	3.3
135.04501	0.8
135.84367	0.7
136.05161	1.8
136.99118	1.4
137.01790	0.9
137.05911	0.8
140.02368	1.4
140.98615	2.9
141.03149	1.6
142.03426	0.8
142.08630	1.3
143.00177	4.2
143.01888	1.7
144.98099	2.8
145.01642	2.3
145.05110	1.8
146.04095	9.4
146.05110	0.9
146.54335	1.2
146.99670	5.0
147.03293	8.3
147.04356	1.1
147.05615	1.1
147.55945	0.8
149.01219	0.9
149.02328	0.9
149.05930	0.9
150.00633	0.6
150.02661	1.6
150.06688	0.8
151.03923	4.2
152.07132	1.2
152.98602	1.2
153.03070	1.4
153.05486	1.7
154.02031	1.0
154.03903	1.0
155.00211	4.0
155.04665	100.0
155.54834	17.0
156.04834	2.8
157.01744	1.5
158.99672	17.4
159.01028	0.9
160.00041	1.3
160.04289	4.6
160.07610	6.6
160.09724	1.5
160.13362	1.2
161.01405	3.8
161.02907	3.5
161.04738	1.1
161.06058	1.1
162.05519	1.7
162.99127	2.5
163.02789	2.2
164.05193	17.8
164.55382	2.8
164.98616	2.5
165.00705	0.7
165.04326	4.9
165.05516	1.2
166.09818	0.8
166.55508	3.5
167.02838	3.4
167.05650	1.3
167.07004	0.8
168.98120	1.0
170.05258	0.8
170.08124	2.8
170.99654	3.3
171.01279	1.5
173.01245	3.7
173.02827	0.9
174.93301	1.0
174.99173	1.9
175.02760	1.3
175.56032	0.9
176.03346	1.5
177.00711	11.8
177.04324	1.6
178.04999	11.0
178.08638	9.0
179.02356	1.3
182.99680	10.3
185.01443	1.2
185.02939	1.4
186.99191	1.9
187.02895	0.8
188.09215	2.5
189.00731	2.9
189.04317	2.2
191.02277	1.3
192.94350	2.8
194.01967	0.9
194.03537	1.5
195.01910	1.2
197.01219	0.8
201.00726	21.1
201.02386	1.8
201.04361	1.3
201.84059	0.8
202.01073	0.8
205.00163	0.9
206.04536	5.4
206.06326	3.9
206.08191	10.7
206.10236	3.3
206.11945	0.9
206.13728	0.8
207.01620	0.9
207.05373	0.9
210.02007	1.0
217.00104	0.7
219.01773	6.4
219.05486	1.4
224.02039	0.9
225.00705	1.1
227.99481	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.045
Annotation	6-Hydroxykynurenate
Peak:m/z	Relative Intensity
53.03947	0.2
55.05517	0.2
56.96571	1.3
57.03445	0.4
57.07102	0.2
67.05521	0.3
69.03437	0.5
70.22884	0.8
72.08166	0.2
77.03922	0.2
79.91629	0.2
81.03443	0.5
85.02925	0.5
91.05499	0.2
93.05803	0.2
97.02909	0.5
98.97598	1.1
104.05007	0.6
105.03405	1.0
105.07060	0.2
110.97591	0.5
116.98617	0.4
117.05762	1.4
122.06023	0.2
127.00736	0.3
128.98605	0.4
129.93840	0.2
130.06577	0.2
131.07295	0.4
132.04462	3.6
132.08102	3.1
133.02882	0.3
134.06081	0.2
136.07649	0.4
145.05251	0.8
149.02379	0.3
150.02710	0.6
150.05527	1.6
151.03943	1.1
160.03995	1.2
160.07591	4.5
164.07021	0.2
164.98636	1.0
170.81949	0.2
170.99609	0.2
174.93234	0.3
178.05013	100.0
178.08463	6.6
179.05389	1.1
180.05388	0.2
182.99667	3.8
191.14316	0.3
192.94337	0.6
201.00720	5.0
201.02580	0.3
206.04507	36.0
206.08000	5.3
206.11873	0.6
207.04808	0.3
209.86748	0.2
219.01831	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1954
Annotation	(+)-Theonellin
Peak:m/z	Relative Intensity
53.03942	1.3
55.05320	0.6
55.05519	7.1
57.06830	1.0
57.07086	12.1
65.03952	5.4
67.05512	5.6
69.03412	0.9
69.06731	1.1
69.07082	12.1
71.08614	0.8
73.23026	0.6
79.05507	6.1
81.03437	1.7
81.07066	24.5
83.08621	3.8
84.04523	1.1
85.02895	1.9
91.05496	4.8
93.03394	1.2
93.07056	24.9
95.08620	16.0
97.02904	3.1
97.10174	3.9
99.04507	1.2
103.92145	0.6
105.07053	4.2
106.06586	0.7
107.04964	0.7
107.08608	20.6
109.02863	1.9
109.06476	0.8
109.10175	14.7
110.17667	0.7
111.04449	1.3
111.11755	1.7
111.45408	0.7
113.96416	0.8
115.05421	0.7
117.07077	0.9
119.08603	2.0
121.02878	13.3
121.03983	1.9
121.06535	1.8
121.10162	38.3
123.08031	0.8
123.11732	7.3
127.03924	1.7
131.08603	1.2
133.10143	0.8
135.08058	1.1
135.11717	12.6
137.13239	1.0
145.10117	2.5
147.11713	0.9
149.02362	100.0
149.09671	1.3
149.13283	20.7
150.02673	1.6
159.08125	0.7
159.11720	1.9
163.11171	1.6
163.14882	3.0
167.03491	0.8
174.93333	0.8
177.12766	2.0
187.14877	0.7
190.04947	0.9
190.09979	0.8
190.11783	0.9
192.94173	0.8
205.04939	0.8
205.06862	1.1
205.08574	1.4
205.12279	4.0
205.14203	2.9
205.15985	2.9
205.19543	16.3
206.08153	0.8
206.11952	0.8
214.83211	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1955
Annotation	(-)-alpha-Chamipinene
Peak:m/z	Relative Intensity
53.03936	1.8
53.71038	1.2
55.05318	1.3
55.05525	15.1
56.05037	1.6
56.94206	1.2
57.07090	13.9
65.03948	7.6
67.05517	28.4
68.05066	1.6
69.03436	3.7
69.07085	24.4
70.33416	3.5
70.33754	1.3
71.06139	2.0
73.46252	1.2
75.22189	1.7
79.05500	5.9
81.07073	20.4
83.08627	8.0
84.04505	2.2
85.02909	4.0
91.05491	4.6
93.03372	1.5
93.07069	20.8
95.08626	46.0
97.02894	2.9
97.10180	7.4
99.04507	1.4
100.55964	1.5
105.07024	4.3
107.08620	22.6
109.05124	1.2
109.10180	88.9
110.07235	1.2
110.10548	1.3
111.04458	2.8
111.11756	11.0
116.05364	2.1
117.07105	1.5
119.08585	3.1
121.02898	11.6
121.03975	4.1
121.06521	2.9
121.10169	23.1
122.68052	1.5
123.08084	1.4
123.11733	13.4
123.18854	1.4
126.05462	1.5
127.05869	3.4
131.08588	2.3
131.15712	1.3
131.97485	1.5
135.08095	2.3
135.11723	29.1
137.08192	1.3
137.13301	2.4
145.10150	4.7
149.02374	100.0
149.09689	3.1
149.13283	17.8
150.02663	2.1
159.11723	1.7
161.13336	1.5
163.09859	2.6
163.11157	3.1
163.14885	5.5
164.09386	4.7
167.03391	1.5
177.12810	2.0
187.14864	1.9
190.09979	1.9
205.06796	2.0
205.08853	2.8
205.12257	13.0
205.14223	3.7
205.15947	5.3
205.19572	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	205.1591
Annotation	(+)-Chamecynenol
Peak:m/z	Relative Intensity
53.03938	6.1
54.46207	1.5
55.01874	3.7
55.05519	16.6
56.25962	1.7
57.03437	2.4
57.07080	9.5
58.00028	2.1
59.04992	5.7
59.27315	1.9
65.03936	5.0
66.92207	2.0
67.05511	15.2
69.03436	18.5
69.07076	22.3
70.48662	6.6
71.05011	9.1
72.08154	3.0
72.38145	1.9
79.05509	19.1
81.03438	3.5
81.07066	43.6
83.05005	10.9
83.08641	11.3
85.02888	5.7
85.06546	4.4
91.05491	38.0
93.06492	3.1
93.07058	56.4
95.04987	16.5
95.08615	26.2
97.02893	4.2
97.06545	12.1
97.10178	6.6
98.97605	15.3
99.08066	2.8
103.05493	5.0
105.07051	49.6
107.04978	4.6
107.08611	65.4
109.02893	2.4
109.06541	30.1
109.10172	17.0
111.08082	5.8
115.05448	7.7
116.98664	3.8
117.07037	17.7
119.08594	47.4
121.02878	4.5
121.05665	3.3
121.06526	48.1
121.10158	60.9
123.08082	8.5
123.11749	11.3
125.09669	4.4
127.03954	2.7
129.07022	8.0
130.07793	5.4
131.06947	2.5
131.08594	24.2
133.06461	3.9
133.10172	21.8
135.08087	31.9
135.11705	17.4
137.09576	4.5
142.07732	2.1
143.08577	7.4
144.05707	2.2
144.09352	8.3
145.06534	9.6
145.10150	70.6
147.08051	5.2
147.11707	56.2
149.02361	29.3
149.06012	11.8
149.07903	4.1
149.09634	15.2
149.13268	3.3
151.11186	5.3
157.10165	6.9
158.10957	4.1
158.99672	3.3
159.08096	5.0
159.11716	33.8
161.06044	2.4
161.09613	7.2
161.13292	14.8
162.10413	4.1
163.11201	20.1
163.14867	11.3
169.12201	3.5
172.08849	3.8
172.12492	5.6
173.05966	4.2
175.07622	9.1
175.11162	4.6
175.14838	2.9
177.00812	2.3
177.09180	4.9
177.12750	10.3
177.16394	13.1
187.07556	2.4
187.11243	10.5
187.14851	38.3
190.13625	1.9
205.05159	2.6
205.06851	7.7
205.08669	9.5
205.12294	48.9
205.15901	100.0
206.16345	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	205.1951
Annotation	(-)-alpha-Chamipinene
Peak:m/z	Relative Intensity
53.03937	1.4
55.05511	12.2
57.07077	8.9
65.03937	4.0
67.05508	27.0
69.07072	29.6
70.34557	2.9
71.04964	0.9
71.08612	0.8
79.05496	6.9
81.07059	17.9
83.08627	6.4
88.02187	0.9
91.05466	3.5
93.07057	16.2
94.68273	0.7
95.08614	43.5
96.08932	1.3
97.02862	1.7
97.10184	8.0
99.29588	0.7
105.07053	4.0
107.08599	23.7
109.10162	100.0
110.10512	1.1
111.11726	9.3
114.96947	0.7
119.08592	2.1
121.02872	4.4
121.04008	1.1
121.06536	1.7
121.10150	23.6
123.11714	11.2
126.05544	0.8
127.05835	1.4
134.10458	0.8
135.08064	1.3
135.11700	28.3
137.13258	2.0
145.10133	1.5
149.02354	37.3
149.13271	20.3
163.14836	5.8
164.09358	1.1
177.12766	1.3
187.14751	0.9
205.06715	0.9
205.08618	1.3
205.10692	0.9
205.12285	3.2
205.14194	1.9
205.15880	2.6
205.19545	42.0
206.19888	0.9
209.25458	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1591
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	6.1
54.46207	1.5
55.01874	3.7
55.05519	16.6
56.25962	1.7
57.03437	2.4
57.07080	9.5
58.00028	2.1
59.04992	5.7
59.27315	1.9
65.03936	5.0
66.92207	2.0
67.05511	15.2
69.03436	18.5
69.07076	22.3
70.48662	6.6
71.05011	9.1
72.08154	3.0
72.38145	1.9
79.05509	19.1
81.03438	3.5
81.07066	43.6
83.05005	10.9
83.08641	11.3
85.02888	5.7
85.06546	4.4
91.05491	38.0
93.06492	3.1
93.07058	56.4
95.04987	16.5
95.08615	26.2
97.02893	4.2
97.06545	12.1
97.10178	6.6
98.97605	15.3
99.08066	2.8
103.05493	5.0
105.07051	49.6
107.04978	4.6
107.08611	65.4
109.02893	2.4
109.06541	30.1
109.10172	17.0
111.08082	5.8
115.05448	7.7
116.98664	3.8
117.07037	17.7
119.08594	47.4
121.02878	4.5
121.05665	3.3
121.06526	48.1
121.10158	60.9
123.08082	8.5
123.11749	11.3
125.09669	4.4
127.03954	2.7
129.07022	8.0
130.07793	5.4
131.06947	2.5
131.08594	24.2
133.06461	3.9
133.10172	21.8
135.08087	31.9
135.11705	17.4
137.09576	4.5
142.07732	2.1
143.08577	7.4
144.05707	2.2
144.09352	8.3
145.06534	9.6
145.10150	70.6
147.08051	5.2
147.11707	56.2
149.02361	29.3
149.06012	11.8
149.07903	4.1
149.09634	15.2
149.13268	3.3
151.11186	5.3
157.10165	6.9
158.10957	4.1
158.99672	3.3
159.08096	5.0
159.11716	33.8
161.06044	2.4
161.09613	7.2
161.13292	14.8
162.10413	4.1
163.11201	20.1
163.14867	11.3
169.12201	3.5
172.08849	3.8
172.12492	5.6
173.05966	4.2
175.07622	9.1
175.11162	4.6
175.14838	2.9
177.00812	2.3
177.09180	4.9
177.12750	10.3
177.16394	13.1
187.07556	2.4
187.11243	10.5
187.14851	38.3
190.13625	1.9
205.05159	2.6
205.06851	7.7
205.08669	9.5
205.12294	48.9
205.15901	100.0
206.16345	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	205.1224
Annotation	Plastoquinone-1
Peak:m/z	Relative Intensity
50.66314	0.5
53.03949	1.4
55.01876	1.0
55.05515	3.9
57.03441	0.8
57.07083	2.5
59.00616	0.4
65.03944	1.3
65.82140	0.4
67.05498	4.9
68.89928	0.5
69.03433	5.5
69.07070	3.0
69.58403	0.5
71.05002	2.6
71.51697	0.5
74.69080	0.4
77.03894	0.7
78.40631	0.5
79.05494	8.5
81.03406	1.6
81.07059	7.6
83.04990	2.0
83.08624	1.0
85.02926	2.4
85.06545	0.9
91.04920	0.8
91.05484	15.8
93.03403	0.6
93.07045	9.6
95.04955	2.9
95.08611	4.7
97.02895	2.2
97.06535	4.3
98.97613	2.4
99.04465	2.2
100.11257	1.1
102.04707	1.1
103.05466	5.3
105.07034	30.7
107.04967	2.3
107.08593	11.2
109.02847	0.9
109.06524	24.3
109.10153	2.1
111.04429	1.0
111.08109	1.0
115.05461	23.2
116.06223	1.6
116.98642	1.3
117.07024	38.7
118.06527	0.6
118.07300	0.5
119.04987	0.6
119.08586	12.1
121.02858	1.4
121.06515	7.0
121.10135	5.7
123.08079	1.9
123.11758	0.8
127.03946	0.8
127.05468	0.8
128.06230	2.1
129.07014	7.3
130.04160	2.5
130.07802	10.2
131.04929	1.8
131.08565	18.1
132.05771	0.5
133.06477	0.6
133.10146	4.5
133.11697	0.6
135.04416	0.7
135.08046	4.5
135.11674	4.2
136.97388	0.5
137.05948	0.5
137.09633	1.0
141.06996	1.2
141.11482	1.5
142.07703	0.6
143.04922	0.8
143.08578	5.4
144.05759	1.0
144.09355	7.1
145.06491	40.8
145.10127	100.0
146.10736	1.5
147.04396	1.1
147.08054	2.4
147.11661	2.9
149.02347	12.5
149.05966	3.6
149.09608	3.9
149.13266	3.4
154.07785	1.4
155.04845	0.9
155.06047	11.2
157.10129	2.1
158.07196	0.6
159.04399	0.5
159.08096	3.1
159.11699	40.9
160.05164	0.6
161.05991	2.1
161.09683	2.4
161.13249	2.2
162.10376	1.0
163.07518	3.7
163.11211	6.2
163.14876	1.0
169.10162	4.2
172.08850	1.7
173.05991	23.4
175.07532	1.9
175.11208	0.8
177.09140	1.4
177.12779	6.8
182.15442	1.1
187.07597	1.0
187.11188	19.5
187.14809	3.1
190.06279	4.1
190.07756	1.1
190.09895	2.2
191.14357	0.6
204.09267	0.9
205.04922	1.3
205.06865	0.9
205.08551	8.7
205.12245	51.0
205.15797	9.8
205.19508	1.4
206.12556	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0686
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96554	1.8
57.03447	2.5
69.03435	2.3
69.45831	11.5
73.02935	4.1
74.53015	1.6
82.99883	2.0
97.02903	3.0
101.00913	9.0
103.00648	2.7
115.02434	2.6
119.01921	10.1
121.01674	3.1
131.01871	1.4
133.03500	2.9
145.01692	3.0
145.03531	2.7
157.03484	5.7
160.04044	3.2
163.02809	2.5
163.04596	2.3
175.04486	4.3
205.06900	100.0
206.07346	2.0
213.54286	1.5
223.06720	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	205.1225
Annotation	Plastoquinone-1
Peak:m/z	Relative Intensity
51.02387	0.5
53.03952	4.2
55.01876	0.4
55.05509	0.5
56.96570	0.3
57.07080	0.6
65.03928	0.5
67.05495	1.0
69.03436	0.9
69.07059	0.4
70.79068	0.9
72.08160	0.5
73.42371	0.3
77.03925	2.3
79.05500	1.5
81.03427	0.9
81.07050	0.9
83.05001	0.9
83.08633	0.4
85.06547	0.9
91.04904	0.6
91.05489	17.8
93.07052	62.5
95.04980	4.8
95.08601	0.4
99.04481	0.5
103.05495	3.9
105.04515	1.6
105.07046	2.3
107.04965	0.6
107.08588	1.9
115.05472	0.3
117.07064	1.8
119.08588	1.9
121.06515	100.0
121.10148	1.4
122.06836	0.9
127.07568	0.5
129.07028	0.9
129.30396	0.4
130.81303	0.4
131.08571	1.4
133.10149	0.5
134.88351	0.3
135.08054	1.5
135.11714	1.2
141.07030	0.4
144.09303	0.9
145.06494	0.9
145.10124	2.2
147.08041	0.9
147.11722	0.4
149.02354	3.2
149.09645	0.4
156.42876	0.3
159.08075	1.1
159.11697	5.1
161.06018	0.7
163.11180	1.4
172.08812	0.9
173.05894	0.4
173.38548	0.3
177.09187	0.3
177.12868	1.6
187.11192	1.4
187.14848	0.6
205.05048	0.4
205.06879	0.7
205.08681	0.6
205.12259	13.4
205.14182	0.7
205.15891	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1227
Annotation	Plastoquinone-1
Peak:m/z	Relative Intensity
53.03964	0.8
55.01893	0.8
55.05266	0.5
55.05518	1.6
55.29817	0.5
57.03442	0.6
57.07082	1.0
65.03949	0.7
67.05527	3.0
69.03429	3.5
69.07074	1.4
71.05004	2.6
71.25058	0.9
76.15675	0.5
79.05511	6.3
81.03449	0.6
81.07065	8.8
83.05013	1.0
83.30595	0.6
85.06550	0.7
87.85499	0.6
88.19617	0.5
91.05490	9.3
93.07068	6.9
95.04960	1.7
95.08614	2.2
97.02921	0.6
97.06544	4.8
99.04446	1.4
103.05466	2.2
105.07045	22.8
107.04973	1.3
107.08615	6.6
107.14172	0.5
109.06533	30.5
109.10166	1.0
111.04441	1.0
115.05460	5.2
116.06258	1.0
117.07035	15.0
119.08606	7.4
121.02897	1.2
121.06535	3.7
121.10126	3.5
123.08072	0.8
128.06247	1.7
129.07021	3.7
130.07814	7.9
131.08591	12.9
133.06514	0.8
133.10143	2.1
135.04486	0.6
135.08105	3.4
135.11710	1.7
141.07007	1.2
143.08569	6.9
144.09366	5.7
145.06503	6.1
145.10144	100.0
146.07336	0.6
146.10612	1.0
147.08038	0.9
149.02373	5.5
149.05959	2.4
149.09624	1.5
149.13287	1.6
154.07773	0.8
155.06047	1.8
157.10144	1.0
159.08093	2.4
159.11720	32.8
161.06007	0.8
161.09615	1.3
161.13242	1.4
163.07578	2.2
163.11226	3.0
164.74146	0.6
169.10175	4.0
172.08823	1.5
173.05991	3.9
175.07588	0.7
175.11215	0.9
177.09116	0.8
177.12831	4.0
177.16302	0.5
187.11221	15.4
187.14836	1.6
190.09874	1.5
205.08597	2.5
205.10416	1.4
205.12260	40.4
205.15846	2.9
205.19598	1.3
206.12576	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1797
Annotation	Eremophila-1(10),8,11-triene
Peak:m/z	Relative Intensity
53.03941	1.5
55.01873	1.1
55.05512	7.3
57.07065	2.7
62.55250	0.9
67.05511	12.9
67.17332	0.8
69.06726	1.4
69.07071	14.7
70.56374	1.8
70.56738	1.8
70.80979	0.8
71.08633	1.7
73.22611	0.8
79.05149	0.8
79.05505	9.5
81.06592	1.9
81.07062	34.0
83.08619	3.5
84.04500	1.0
85.02923	1.1
91.05485	19.3
93.07046	14.8
95.04993	1.5
95.08614	33.2
105.07037	59.3
107.08607	16.8
108.08385	0.8
108.21705	0.8
109.10159	20.1
115.05437	1.4
116.24377	0.9
117.07009	3.9
119.08591	42.3
121.10159	14.5
123.11685	5.3
126.05507	0.9
131.08607	5.8
133.06468	1.1
133.10143	42.6
135.11687	3.8
142.07841	1.1
143.08562	1.8
144.09346	1.0
145.10136	9.0
146.10754	1.0
147.08051	2.1
147.11699	100.0
157.10161	2.2
159.11775	4.4
160.12492	4.5
161.09688	1.5
161.13275	18.3
170.10957	1.0
170.74513	0.8
174.14136	0.9
175.07527	1.1
175.14886	5.4
185.05983	1.0
185.13315	1.6
188.08307	1.2
203.03403	1.1
203.06981	3.7
203.08710	1.5
203.10565	5.5
203.14311	4.4
203.17967	95.0
204.13675	1.1
204.18315	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1797
Annotation	(+)-alpha-Curcumene
Peak:m/z	Relative Intensity
53.03944	1.5
55.05513	7.3
57.07065	2.1
59.27457	1.0
60.04517	3.4
65.03923	1.0
67.05505	13.3
67.39507	0.8
68.38973	1.0
68.88203	1.0
69.03444	1.4
69.07070	7.7
69.28934	1.9
69.29332	9.1
69.70895	0.8
72.08147	1.7
79.05493	7.3
81.03415	1.5
81.07058	17.7
83.04955	1.5
83.08607	2.8
84.04485	1.0
85.02898	1.2
86.09708	2.1
91.05482	17.6
93.07056	10.3
95.04951	1.5
95.08613	37.3
97.02902	1.0
103.05486	2.1
105.07038	60.2
107.08599	14.3
109.06470	1.4
109.10165	23.7
114.08271	1.0
115.05432	4.0
117.07022	5.8
119.08589	44.7
121.06501	1.0
121.10143	12.1
123.11720	6.5
126.05508	2.0
128.06238	2.7
129.06992	3.5
130.06523	1.1
131.04926	1.5
131.08586	7.6
132.05690	1.0
133.06516	2.6
133.09134	2.6
133.10139	45.0
135.08083	1.5
135.11702	1.9
142.07835	2.0
143.04893	1.3
143.08571	7.7
145.06546	1.0
145.10132	10.5
146.10867	1.3
147.08054	5.4
147.11700	93.4
155.08565	1.3
157.10146	6.9
159.11697	5.8
160.05266	1.2
160.12451	3.5
161.09697	6.1
161.13295	14.3
170.10876	2.4
175.07570	4.6
175.11192	3.2
175.14893	6.3
185.09625	2.3
185.13304	4.2
188.04643	1.4
203.06950	6.1
203.08710	1.3
203.10614	9.3
203.14371	17.2
203.17973	100.0
204.08679	2.0
204.18344	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1797
Annotation	Eremophila-1(10),8,11-triene
Peak:m/z	Relative Intensity
53.03935	2.4
55.01868	1.5
55.05515	10.3
56.05066	0.9
57.03436	2.1
57.07065	3.6
59.04986	1.5
60.04519	3.5
65.03922	1.2
67.05510	23.0
69.03424	2.9
69.07078	12.1
70.06586	1.0
71.04990	1.2
71.50446	1.7
72.08152	3.7
72.99812	1.1
73.02905	1.3
79.05068	1.5
79.05499	16.4
81.03381	1.3
81.06588	1.8
81.07066	26.0
83.04967	4.1
83.08602	2.6
85.02908	2.2
86.09722	4.7
91.05489	21.1
91.49726	1.0
92.14262	1.1
93.03408	1.4
93.07053	13.7
95.04968	2.2
95.08613	36.1
96.04514	1.0
97.02864	1.6
97.06547	2.0
97.10194	1.7
98.97604	1.0
99.08119	1.0
103.05455	1.4
105.07039	74.3
107.08604	36.5
109.06503	3.1
109.10166	24.4
111.04461	8.7
112.11235	1.8
115.05453	3.6
116.98513	1.0
117.07024	6.9
119.04923	1.1
119.08588	55.5
121.06528	1.6
121.10160	12.6
123.08072	0.9
123.11710	7.0
125.09620	2.3
128.06245	3.1
129.07011	6.0
130.06506	5.0
131.08575	14.3
133.06535	1.6
133.09128	2.3
133.10141	42.4
135.08072	4.5
135.11708	1.8
142.07776	4.2
143.08577	7.1
144.09229	1.0
145.06487	1.6
145.10133	13.5
146.11020	1.2
147.08058	3.7
147.11700	100.0
148.07550	2.0
148.12021	1.4
149.09625	1.2
153.09106	11.4
153.10245	1.6
155.08595	1.1
157.06477	1.5
157.07634	3.0
157.10141	9.0
159.08101	1.3
159.11708	5.8
160.05202	2.9
160.08865	1.4
160.12498	4.5
161.06013	1.5
161.09608	6.7
161.13281	17.2
170.10886	2.8
171.10173	4.1
172.05186	1.3
172.93480	1.3
173.13217	1.2
174.06787	1.1
175.07541	6.1
175.11169	3.9
175.14862	5.3
176.07181	1.3
185.09628	1.7
185.13243	4.8
188.04672	2.3
188.08336	1.2
194.06992	1.0
203.03465	2.4
203.07028	10.5
203.10655	9.0
203.14355	15.1
203.17978	81.5
204.06586	2.7
204.08565	1.1
204.13960	1.9
204.18365	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1281
Annotation	Sebacic acid
Peak:m/z	Relative Intensity
53.03941	2.7
55.01864	5.7
55.05503	6.0
57.03438	4.4
58.99577	6.0
59.04995	3.4
60.04522	4.1
61.02927	1.9
67.05500	8.0
68.05000	1.8
68.99792	2.1
69.03423	7.3
69.07069	5.5
69.87993	1.7
70.06580	3.0
71.05003	20.4
71.42340	3.4
72.08148	5.5
74.81592	1.6
79.05080	3.4
79.05504	47.6
80.11629	1.6
81.03429	12.9
81.07069	13.8
83.04980	7.2
84.04476	3.2
84.08163	3.3
85.02892	6.9
85.06535	6.4
86.09720	5.1
86.99047	7.9
87.04465	4.7
89.18300	1.7
91.05495	24.1
93.07062	16.6
95.04969	6.9
95.08613	5.1
97.02898	3.9
97.06544	9.7
98.97602	4.3
99.04465	23.1
101.06011	2.1
105.07043	17.8
107.04969	100.0
107.08604	31.4
109.06531	19.6
109.10168	3.6
111.04444	2.8
111.08105	4.2
112.11250	3.3
115.05480	6.5
117.07005	10.0
119.08607	11.6
121.06522	66.4
123.08102	2.9
125.09650	3.1
127.03879	2.4
127.07586	17.0
128.06227	7.5
129.01862	4.2
129.07014	6.5
129.13896	2.9
130.06555	8.7
131.08578	6.5
132.05681	2.9
133.06520	3.5
133.10133	8.5
135.08066	70.3
142.07782	5.5
143.04919	3.3
143.08595	10.3
145.06490	5.0
145.10123	5.8
147.04382	3.5
147.08064	7.1
147.11723	3.1
149.09639	17.2
153.01837	7.8
153.09123	46.8
157.06487	5.1
157.07642	12.5
157.10126	8.0
159.11711	5.5
160.05243	7.8
160.08925	1.8
161.06017	4.3
161.09653	9.7
161.13309	4.1
167.10612	2.2
170.10892	1.9
171.10110	2.2
172.05186	4.2
175.03978	1.9
175.07520	19.1
175.11211	3.2
175.14935	2.4
185.02780	2.0
185.05908	2.4
185.09692	3.0
185.11768	3.6
185.13283	6.8
194.07043	3.4
203.03561	7.9
203.06827	20.3
203.10568	9.9
203.12581	1.9
203.14380	18.8
203.17973	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1434
Annotation	Penidienone
Peak:m/z	Relative Intensity
53.03935	5.2
53.49274	1.4
53.68015	1.1
55.01865	4.9
55.05515	16.4
56.05027	1.4
56.96568	8.2
57.03452	6.7
57.07071	3.3
58.06614	2.0
58.99574	2.2
59.05000	2.5
60.04528	8.1
65.03931	2.3
66.96832	1.5
67.05518	13.1
68.05035	1.5
68.99783	1.9
69.03439	11.6
69.07080	16.6
69.46612	9.5
70.06590	3.5
70.98116	1.5
71.01347	2.6
71.04994	13.6
72.08163	27.3
73.02921	2.9
77.03897	1.3
79.05500	14.4
81.03429	12.8
81.06664	1.4
81.07065	15.2
83.04986	6.8
83.08614	4.7
84.04494	4.6
84.08144	5.6
84.96010	2.2
85.02882	4.0
85.06522	1.5
86.09703	19.6
86.99058	1.6
87.00843	14.6
87.04460	4.1
89.06023	3.8
91.05490	36.7
93.07047	19.6
95.04977	18.1
95.08617	19.3
96.04505	3.3
97.02891	5.8
97.06510	6.1
98.97595	12.7
99.04457	16.3
101.00856	1.6
103.05453	4.5
105.01839	2.1
105.07040	49.6
107.04951	4.0
107.07980	1.9
107.08603	23.1
109.06544	9.8
109.10172	8.7
110.97553	3.2
111.04433	3.2
111.08057	3.9
112.11240	9.0
114.05536	2.9
115.05449	11.2
116.06281	1.5
116.07097	1.7
116.98623	2.9
117.05521	11.6
117.07026	22.3
119.01921	5.1
119.04943	3.8
119.08589	65.9
120.96487	2.6
121.06563	7.5
121.10156	18.4
122.04866	1.9
123.04385	1.5
123.08073	5.5
124.07587	1.7
126.05513	4.6
127.03873	1.6
128.06216	10.7
129.05467	2.0
129.07022	17.5
129.13885	6.3
129.91034	1.6
130.06531	3.0
130.07776	2.4
131.01816	2.3
131.04961	3.9
131.08572	20.3
132.05696	5.2
132.10179	2.9
133.06502	9.5
133.10139	35.5
135.08058	4.9
141.05432	2.1
141.07100	2.5
142.07779	10.2
143.01793	2.0
143.04910	4.6
143.08580	30.7
144.05640	1.6
144.09346	3.9
145.06435	5.4
145.10143	30.6
147.04457	4.4
147.08052	34.1
147.11697	19.1
155.05994	2.0
155.08528	5.0
156.09328	3.3
157.03363	1.7
157.04999	3.2
157.06525	3.4
157.07619	4.2
157.10133	19.7
157.12248	1.8
158.99774	3.4
159.08022	4.9
159.11711	21.9
160.05161	10.7
160.08827	4.7
161.03023	3.4
161.05975	6.8
161.09618	30.1
161.13234	10.3
168.06537	1.8
170.10938	10.0
171.04422	4.5
172.05194	6.0
172.93472	1.9
173.09741	1.7
173.13197	6.8
174.10432	2.3
175.03870	2.3
175.06038	2.1
175.07550	28.4
175.11194	8.5
175.14830	30.5
177.00751	2.4
185.06042	2.3
185.09763	3.9
185.13240	28.2
188.04712	2.7
188.11983	2.3
190.94514	2.4
203.03622	2.8
203.05327	5.8
203.07068	33.4
203.10626	7.5
203.14328	100.0
204.08723	2.5
204.13914	4.4
223.52245	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1281
Annotation	Sebacic acid
Peak:m/z	Relative Intensity
50.87494	1.5
53.03937	1.9
54.23479	1.6
55.01864	6.5
55.05513	11.3
56.96556	2.6
57.03430	7.6
57.07074	4.0
59.05001	4.3
60.04519	6.5
65.03917	2.4
67.05515	48.7
69.03420	7.7
69.07062	8.0
70.06580	2.1
71.04987	5.9
71.50712	3.1
72.08150	6.5
72.25195	1.6
73.02907	3.7
79.05504	62.6
81.03438	2.0
81.07072	42.0
83.04990	12.0
83.08621	3.8
85.02898	4.4
85.06541	3.7
86.09701	7.7
87.04516	1.7
91.05494	29.8
93.03400	4.7
93.07060	17.8
95.04987	4.6
95.08622	22.8
95.39138	1.8
97.02897	4.5
97.06541	4.4
97.10177	1.9
98.97595	2.9
99.04442	2.7
99.08112	4.2
101.00896	2.3
103.05491	2.0
105.07049	49.7
107.04951	14.6
107.08607	100.0
109.06520	9.2
109.10175	23.4
111.03719	3.3
111.04454	39.1
111.08072	3.2
112.04772	2.0
112.11239	2.0
113.87560	1.7
115.05461	7.7
117.07030	12.4
117.09302	1.7
119.01941	2.9
119.06052	2.6
119.08591	42.3
121.06511	6.3
121.10181	9.6
123.08131	2.1
123.11721	3.4
125.09650	13.6
126.05530	2.7
128.06241	11.0
129.07022	16.2
130.06554	16.5
131.04892	4.1
131.08572	16.6
131.84886	1.6
132.05756	2.2
133.06474	5.2
133.10139	31.4
134.02374	4.6
135.08072	24.6
141.06999	3.8
142.07793	11.4
143.01956	2.8
143.04871	2.5
143.08588	16.5
144.05748	2.3
144.09334	3.7
145.06517	4.3
145.10147	17.5
146.07280	2.0
147.04367	3.5
147.08043	12.9
147.11700	36.1
148.07533	7.7
149.09564	3.8
153.09117	54.4
153.10359	2.8
155.08501	3.3
156.09384	3.1
157.06464	3.4
157.07616	5.8
157.10158	25.8
159.08031	2.1
159.11723	9.9
160.05237	6.1
161.03004	2.9
161.04637	2.6
161.06009	5.4
161.09631	11.3
161.13287	10.2
166.90855	1.8
167.10754	2.1
170.10896	4.9
171.02939	2.3
171.04442	3.8
171.08029	4.0
171.10191	20.6
172.05202	5.1
172.93428	2.3
173.09727	1.9
173.13237	2.6
175.07588	13.5
175.11179	6.9
175.14885	9.7
176.07079	8.5
184.02072	2.0
185.09647	4.9
185.13313	13.6
188.04701	4.2
188.08324	4.7
190.94281	2.4
202.56790	2.3
203.03461	2.1
203.06915	25.7
203.10646	22.8
203.14322	36.1
203.17987	33.7
204.06647	11.2
204.08405	2.8
204.13873	2.9
223.00392	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.0401
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40023	0.9
56.96568	2.0
63.37539	1.0
80.54482	0.9
82.99857	3.8
98.97578	3.8
100.02476	1.5
101.00886	43.9
102.00941	6.3
102.96877	1.3
103.00622	2.7
112.11263	1.4
113.00859	1.0
116.98608	2.2
117.15488	0.9
119.01929	100.0
120.02005	18.4
120.96507	1.1
121.01682	4.4
131.01921	1.9
137.02957	26.6
138.03085	3.5
138.96375	0.9
139.02621	1.8
142.03506	2.0
143.01915	5.3
143.03636	6.1
144.03299	1.7
147.11711	0.9
156.97485	3.2
157.03481	6.2
161.02969	25.7
161.04434	1.7
161.04698	1.2
162.03081	5.4
174.98511	2.7
175.04555	2.2
179.00673	1.1
179.04024	19.4
179.99104	3.8
180.03970	5.4
181.03618	1.4
198.00221	2.8
203.04085	2.3
203.14319	1.0
221.01640	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	203.0554
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81153	0.8
53.03950	9.6
55.01875	1.9
55.05519	6.1
56.96334	1.0
56.96574	9.8
57.03445	16.4
58.06600	0.9
59.05017	1.2
60.04516	1.7
67.05511	1.7
68.99801	2.8
69.03433	3.9
69.07085	2.0
69.51273	4.1
69.51691	1.5
70.06590	1.5
71.01362	2.4
71.05002	20.2
72.08164	4.6
73.02921	2.4
73.06565	1.6
79.05505	1.9
81.02975	1.5
81.03426	13.9
81.07053	1.1
83.05000	1.0
83.08614	1.4
84.04522	2.5
84.08150	2.8
84.96026	2.0
85.02918	3.0
86.09718	36.0
87.00842	100.0
87.04475	3.1
89.06042	36.1
91.05500	2.5
93.07059	1.2
95.08617	1.9
97.02893	2.3
98.21439	2.0
98.97607	11.8
99.04467	71.1
99.56567	0.8
100.02206	0.9
101.00869	1.2
105.01876	9.9
105.07043	3.9
107.08607	1.4
110.97551	1.6
112.11258	5.5
112.99125	1.3
115.05509	1.0
116.98628	4.8
117.05517	22.8
117.06984	1.3
119.01894	2.5
119.08570	3.0
121.10191	1.1
124.01064	1.0
126.05526	1.0
128.02327	1.0
128.06279	1.6
128.98679	1.6
129.01851	1.4
129.07014	1.7
129.13918	1.9
130.06554	2.7
131.08589	1.2
132.09236	1.5
132.10223	23.0
133.10129	2.1
134.99683	1.0
143.00185	1.5
143.01941	1.2
143.03445	0.9
143.08566	1.2
144.98083	1.1
145.10150	1.1
147.08051	2.0
147.11740	1.3
157.05006	7.6
157.06296	1.5
157.07637	5.4
157.10263	1.6
157.13358	2.0
158.99696	2.9
159.11726	1.5
160.05539	1.4
161.02971	1.8
161.04646	1.4
161.05968	1.4
161.09645	1.1
175.06003	3.3
175.07582	3.3
175.11172	1.3
175.14854	0.9
177.00816	2.1
185.10011	2.5
185.13313	2.0
187.66005	1.0
194.07040	1.0
202.99019	1.0
203.05472	13.1
203.07101	3.6
203.10721	2.0
203.14334	5.9
207.01776	1.2
223.78500	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1641
Annotation	gamma-Calacorene
Peak:m/z	Relative Intensity
50.89783	0.9
53.03945	1.6
55.05501	4.3
57.07069	4.3
57.62758	0.9
59.93149	0.9
67.05508	10.1
69.03432	1.8
69.07085	12.2
70.06625	1.0
70.82820	0.9
71.08635	2.2
71.18523	1.1
72.20417	0.9
74.87915	0.8
79.05503	10.9
81.07069	17.3
82.02082	0.8
83.08620	2.2
83.59650	1.0
91.05494	18.6
93.07059	17.5
95.04955	2.2
95.08620	13.2
103.05480	1.8
105.07047	31.3
107.08595	16.5
109.06551	1.0
109.10167	6.6
111.13046	0.9
112.45035	0.9
115.05468	3.3
116.06242	1.5
117.07047	24.9
119.08595	24.7
121.10159	8.7
128.06232	3.5
128.52945	0.8
128.72307	0.9
129.07018	11.1
130.07825	9.3
131.08588	51.2
132.09348	1.0
133.10153	10.3
141.07016	2.5
142.07831	2.8
143.08588	13.8
144.09352	9.9
145.06499	3.1
145.10146	100.0
146.10770	2.2
147.11697	6.5
150.36392	0.9
153.07027	1.2
155.04982	0.9
155.08606	4.0
156.09349	1.7
157.10150	10.2
158.07310	2.3
158.10960	9.7
159.08124	4.8
159.11716	71.0
160.12141	2.0
163.39330	1.0
168.09341	3.3
171.08022	1.7
171.11765	4.5
172.12450	2.6
173.06030	1.1
173.09549	2.9
173.13300	27.0
183.11655	5.0
186.10425	2.3
186.14101	2.0
189.20415	1.0
201.05585	3.0
201.09196	3.3
201.12778	21.7
201.16415	86.2
201.20439	4.2
202.16699	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.164
Annotation	gamma-Calacorene
Peak:m/z	Relative Intensity
53.03928	1.5
55.05518	4.5
57.03437	0.9
57.07079	5.2
60.43752	0.6
65.03934	1.5
67.05508	9.7
68.90977	0.7
69.03422	1.7
69.07074	8.6
70.06566	0.6
71.04976	1.3
71.08631	2.5
71.25010	0.7
71.25327	1.0
72.08147	1.0
72.70765	0.6
79.05492	9.5
81.03423	0.8
81.07061	18.4
81.26215	0.7
83.05008	0.7
83.08621	1.6
83.53838	0.7
85.02921	1.1
85.06537	1.1
86.09711	1.0
91.05487	19.2
93.06480	1.1
93.07049	14.7
95.04967	1.8
95.08615	21.6
102.04691	0.9
103.05481	1.9
105.07038	43.8
107.08604	27.8
109.06510	1.2
109.10164	6.2
115.05444	6.0
116.06223	2.0
117.07024	28.6
117.94025	0.8
119.04916	0.8
119.06125	0.8
119.08592	33.0
121.10162	10.8
127.03868	0.7
128.06236	3.8
129.07011	9.4
130.04196	1.1
130.07800	12.2
131.08577	49.2
132.08878	0.9
133.10150	10.9
133.82182	0.6
135.11690	0.9
135.93416	0.7
141.07018	5.7
142.07785	4.8
143.08569	15.4
144.09346	10.7
145.06522	4.6
145.10133	97.2
146.10847	3.1
147.11674	2.1
153.07024	1.2
155.06050	1.2
155.08594	2.3
156.09373	1.2
157.06546	0.8
157.10136	13.2
158.03635	2.2
158.07288	2.9
158.10924	6.7
159.08131	4.8
159.11700	97.8
160.12119	2.4
168.05800	0.7
168.09361	2.1
169.06514	2.3
170.07176	0.8
171.11688	7.5
172.12506	3.2
173.05994	3.7
173.09644	3.3
173.13275	21.7
183.11629	3.2
185.13412	1.0
186.03188	0.8
186.06755	4.1
186.10445	1.9
186.14081	4.9
186.22163	0.7
201.05473	8.2
201.09129	12.3
201.12740	13.8
201.16400	100.0
202.16711	2.9
211.23294	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1276
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11412	0.7
53.03936	2.8
55.05511	4.5
57.03437	0.8
57.07063	3.1
65.03936	3.1
67.05515	11.6
68.35972	0.8
69.03431	2.0
69.07082	4.7
69.68249	3.0
69.68659	1.1
70.06607	0.9
71.04988	1.3
79.05499	11.7
81.03407	0.7
81.07063	14.2
83.08642	0.8
91.05488	33.5
93.07053	14.3
95.04382	1.3
95.04981	25.5
95.08615	10.1
98.21484	1.6
103.05463	3.2
105.04430	0.8
105.07040	33.2
106.94741	0.7
107.08610	12.5
109.06521	1.7
109.10144	3.1
110.81507	0.8
115.05448	6.7
116.06256	4.4
117.07025	25.8
119.08591	48.2
121.05630	0.7
121.06495	4.1
121.10146	5.0
123.08059	0.8
128.06239	8.9
129.07019	21.5
130.07793	10.1
131.08580	74.6
133.06451	2.0
133.10135	8.9
137.06020	1.3
141.07001	8.1
142.07784	11.9
143.08569	37.2
144.05734	1.8
144.09361	13.1
145.06483	8.1
145.10136	82.7
146.07237	0.9
146.10698	1.1
147.08104	1.4
147.11662	1.6
153.07013	6.8
154.07710	1.4
155.06100	1.2
155.08578	11.6
156.09361	10.2
157.06520	1.9
157.10147	21.5
158.07288	4.0
158.10919	24.3
159.08083	24.4
159.11707	51.0
160.08855	1.3
167.08624	1.6
168.09352	13.2
171.08043	5.0
171.11700	7.9
172.08855	7.0
172.12543	4.1
173.05962	2.2
173.09688	8.2
173.13277	55.0
174.13618	1.2
183.11702	23.3
186.06747	1.0
186.10413	14.0
186.14044	1.9
201.05522	3.4
201.09174	4.2
201.12762	100.0
201.16391	47.0
201.20279	1.8
202.13110	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1276
Annotation	Lacinilene A
Peak:m/z	Relative Intensity
53.03944	2.6
53.42368	0.7
55.01861	3.2
55.05513	4.4
56.68457	0.7
56.96576	5.9
57.07057	2.3
59.89540	0.8
60.58517	0.7
65.03931	1.7
67.05235	0.8
67.05510	9.3
67.27979	0.7
67.55478	0.8
69.03082	0.9
69.03435	10.7
69.07059	3.5
69.71127	4.6
74.97626	1.2
79.05492	7.3
81.07061	9.7
91.05488	18.6
93.07053	7.5
95.04962	3.0
95.08617	3.3
103.05496	2.1
105.07038	29.4
107.04933	1.6
107.08597	6.4
109.06517	2.3
109.10150	1.3
115.05450	4.9
116.06228	2.7
117.06229	1.4
117.07033	19.9
119.04926	1.4
119.08589	39.8
121.06499	3.4
121.10140	1.6
123.07969	0.7
128.06223	5.8
129.07028	15.4
130.07794	6.4
131.08585	62.2
133.06520	1.8
133.10147	15.8
137.09433	0.8
141.07027	5.4
142.07784	10.1
143.08577	21.0
144.05704	0.8
144.09360	12.2
145.06497	7.8
145.10138	67.2
146.10468	0.9
147.08044	1.3
147.11708	29.7
150.77386	0.7
153.07011	10.1
155.08574	23.2
156.09328	3.2
157.06558	0.9
157.10152	16.6
157.12128	0.8
158.07278	1.7
158.10930	14.6
159.08089	13.3
159.11707	24.1
160.08853	1.1
161.13313	1.1
165.06883	1.1
167.08557	1.5
168.09367	22.9
169.09798	0.8
171.08076	2.3
171.11743	6.6
172.08957	3.8
173.09734	8.4
173.13280	80.2
174.13594	1.8
181.10188	1.0
183.11710	36.8
185.09729	0.9
186.10373	3.9
201.12764	100.0
201.16400	13.2
202.13078	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	201.1277
Annotation	Lacinilene A
Peak:m/z	Relative Intensity
50.55193	1.0
53.03945	2.0
54.55958	0.9
55.05500	3.8
57.03434	1.2
57.07063	3.6
61.58638	0.9
65.03947	1.5
66.14503	0.9
67.05510	10.4
69.03432	2.0
69.07073	6.4
70.97926	1.7
79.05503	10.9
81.07053	12.9
83.08605	1.4
91.05486	33.5
91.45822	1.0
93.07053	14.0
95.04980	24.3
95.08608	8.6
103.05466	1.9
105.06317	1.1
105.07040	29.9
107.08591	10.6
109.06516	2.6
109.10158	3.5
115.05467	6.4
116.06232	3.8
117.07033	23.8
119.08590	51.6
121.06493	4.4
121.10133	3.9
121.73869	0.9
123.08051	1.4
127.04038	1.0
128.06236	9.4
129.07011	20.1
130.07802	8.8
131.08578	71.7
132.09032	0.9
133.06477	1.0
133.10132	9.6
141.06981	7.8
142.07791	12.0
143.08571	37.0
144.05743	1.8
144.09355	13.8
145.06482	9.6
145.10132	84.5
146.10776	1.4
147.11723	1.1
153.07037	7.0
155.05963	1.2
155.08551	11.8
156.09354	8.7
157.06532	1.3
157.10144	21.5
158.07298	4.6
158.10918	22.5
159.08058	22.5
159.11702	52.4
160.08701	1.3
167.08583	1.7
168.09363	13.1
171.08087	5.6
171.11711	9.9
172.08823	8.6
172.12462	3.5
173.05922	1.6
173.09654	9.9
173.13272	55.9
174.13654	1.0
183.11700	21.9
186.10417	12.7
186.14050	1.9
190.79124	1.0
198.08109	1.1
201.05432	3.4
201.09142	5.8
201.12759	100.0
201.16391	52.9
201.18289	2.1
202.13104	2.5
220.22569	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1276
Annotation	Lacinilene A
Peak:m/z	Relative Intensity
55.05510	3.2
57.07058	2.4
62.79831	1.4
69.07064	2.0
70.06591	2.8
71.04123	1.9
71.04444	2.0
78.11788	1.2
79.05498	3.4
81.07050	5.8
86.76411	1.2
91.05496	18.3
93.07052	4.2
96.08202	1.4
105.07044	12.0
113.02377	1.3
114.95665	2.1
115.05476	3.5
116.06242	4.3
117.07053	7.9
118.96777	10.4
119.08585	8.0
127.03936	1.7
128.06201	6.2
129.07031	8.9
130.07797	4.7
131.08591	39.5
132.96643	1.6
133.10152	3.3
133.99123	2.3
141.01950	1.6
141.07019	6.6
142.07790	2.0
143.08568	12.4
144.05710	1.9
144.09373	3.3
145.06485	5.7
145.10150	22.6
146.07358	1.5
150.95732	1.6
153.06972	2.5
154.86937	1.3
154.96465	3.0
155.08640	4.4
157.10130	3.9
158.10904	4.3
159.08083	99.1
159.11697	15.3
160.08472	1.7
168.09355	4.5
171.08066	4.5
171.11572	1.5
172.08812	3.9
173.09634	10.8
173.13297	12.8
177.98090	7.5
183.11752	5.8
186.10423	5.6
194.56767	1.2
201.12776	100.0
201.16347	12.9
202.13170	2.6
219.24893	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	200.0233
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	3.5
56.96572	20.3
57.03430	8.7
58.06623	2.9
58.92720	1.9
61.02929	6.4
61.43619	1.9
63.02141	2.0
68.00262	2.2
69.03429	8.8
71.41342	3.2
72.08147	3.2
73.02914	19.0
74.00264	2.2
74.09712	3.9
81.03424	4.0
83.00782	2.5
84.96067	4.0
85.02913	13.3
89.00782	2.4
97.02895	12.0
98.97591	100.0
101.00866	6.6
104.01268	2.1
110.01287	5.2
110.97586	8.8
111.02066	7.5
112.99133	4.1
116.98643	34.6
119.01867	20.8
120.02591	12.9
124.99199	2.7
125.37199	2.1
127.03921	3.6
128.02309	2.4
128.98598	8.3
129.03108	15.1
131.00171	2.3
131.01843	5.3
133.03462	2.8
134.02336	2.4
134.99698	7.4
137.01930	3.1
137.02913	2.6
138.02629	2.6
143.00160	4.6
146.02339	8.9
146.99666	4.5
147.03145	3.2
149.02924	2.6
152.02289	3.3
153.03166	4.1
155.02791	5.8
156.03601	4.5
157.00961	2.2
157.03499	2.1
158.99684	9.4
161.01360	2.4
161.02832	5.2
162.03671	2.6
170.03409	2.6
170.99707	4.2
173.01297	2.9
176.07562	3.6
177.00793	13.3
177.02180	2.1
179.02420	2.4
182.03287	3.2
183.04160	2.0
189.00731	4.5
192.04706	3.2
197.03389	2.6
200.07684	8.4
201.00685	2.4
201.05290	3.8
218.08789	9.2
219.01775	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	197.1174
Annotation	LOLIOLIDE
Peak:m/z	Relative Intensity
53.03955	1.7
55.01873	9.4
55.05273	1.0
55.05517	12.0
57.03437	0.8
57.07081	0.9
59.05004	1.0
65.03925	1.0
67.00042	0.8
67.05515	5.2
68.99798	0.9
69.03423	3.7
69.07062	2.9
70.27902	1.4
70.28281	1.2
70.95863	5.2
71.01343	0.8
71.05007	1.3
72.34199	0.7
72.66470	0.7
72.93796	3.1
77.03950	0.9
78.04273	0.6
79.05508	9.7
81.06586	1.6
81.07065	28.7
83.04987	2.1
83.08643	0.8
85.06555	1.2
88.96893	1.0
91.05494	8.9
93.07053	8.5
95.04968	4.0
95.08608	4.2
97.06559	3.7
99.04453	5.2
101.68102	0.8
105.03396	6.6
105.07053	11.6
107.04948	1.5
107.08606	14.9
109.06534	16.4
109.10178	6.2
110.08789	0.7
110.09654	0.8
111.04453	5.8
111.08104	1.1
111.98501	5.0
115.05450	0.9
117.07061	1.1
119.04969	1.2
119.08578	4.7
121.06522	2.5
121.10099	1.0
123.04446	2.0
123.08102	3.7
123.11707	1.9
125.06008	40.0
125.09643	0.9
127.03947	12.4
128.06227	1.4
128.21753	0.7
129.07040	1.8
129.99516	1.3
131.08598	0.9
131.58939	0.6
132.95869	10.8
133.02875	1.2
133.10146	17.0
135.08072	1.8
135.11713	6.1
137.05995	100.0
137.09601	6.7
138.09190	0.8
140.83595	0.7
141.07013	2.7
142.07767	0.8
143.08633	4.1
150.96924	8.4
151.03967	1.8
151.07603	1.4
151.11209	4.5
153.07071	1.8
154.07820	1.7
155.08580	6.9
155.97446	6.0
156.09389	2.3
157.10110	0.9
161.09625	12.4
165.05644	0.9
167.08568	4.5
168.09462	1.7
169.10130	6.6
173.98528	6.6
179.07120	1.5
179.09064	1.3
179.10703	19.4
181.10197	0.9
182.10922	5.6
192.26903	0.7
197.06184	0.9
197.08060	1.3
197.09853	1.6
197.11742	12.5
197.13324	12.5
198.18588	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	199.1332
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
53.03963	1.2
55.05521	20.0
57.07086	12.2
59.04451	1.3
60.72845	1.3
67.05516	3.5
69.07076	4.9
69.87454	5.2
69.87869	2.1
70.07390	1.5
72.04533	2.6
72.57201	1.4
74.09726	15.0
79.05502	3.3
81.07070	4.7
83.04995	9.5
83.08638	4.3
84.38847	1.4
85.06561	4.9
91.05505	2.8
93.07053	12.2
95.08614	12.8
97.06561	4.5
98.20850	2.2
100.07656	3.5
105.07062	5.7
107.08612	15.9
109.06549	4.3
109.10171	2.6
111.04460	100.0
111.08107	3.2
113.06035	1.6
116.97232	8.7
117.07024	1.7
119.08621	1.6
121.06509	3.2
121.10127	1.7
125.06015	26.7
127.07580	2.8
128.06290	2.4
129.07019	2.0
131.99593	2.2
134.95883	1.5
135.08084	13.7
135.11714	20.7
137.13338	2.2
137.37137	1.3
139.07568	3.1
141.49870	1.3
142.07860	2.5
143.08618	4.1
145.10129	13.5
153.05510	1.4
153.12794	4.2
157.10194	3.6
157.23692	1.2
157.97472	1.6
163.11203	20.3
171.11716	2.7
175.18793	1.5
175.98604	6.2
181.12253	23.8
184.12560	1.5
199.07663	2.2
199.11385	2.7
199.14923	5.1
199.18932	55.0
216.84425	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1174
Annotation	LOLIOLIDE
Peak:m/z	Relative Intensity
50.47090	0.8
53.03959	1.3
55.01862	2.4
55.05512	3.8
57.07067	2.4
59.04986	1.3
61.39056	0.7
65.03943	1.8
65.20731	1.0
65.25827	0.8
66.52571	0.8
67.05512	10.5
68.99802	1.7
69.03419	2.7
69.07072	4.8
70.95856	2.8
71.04997	1.1
71.40971	1.4
72.93777	1.7
79.05495	5.2
81.07062	26.6
83.04984	2.0
83.08630	1.0
85.02932	1.7
85.06547	1.4
91.05489	32.0
92.19218	0.7
93.07044	8.6
95.04975	58.6
95.08610	21.0
97.06570	1.2
102.30785	0.7
103.05473	7.9
105.03397	2.7
105.07053	8.8
107.08604	20.9
109.06528	10.1
109.10169	31.2
111.04485	4.9
111.98499	3.0
115.05521	0.7
116.87371	0.8
119.04952	29.1
119.08598	3.4
121.06504	2.5
121.10130	2.6
123.04460	1.0
123.08080	7.8
123.11715	51.3
125.05978	2.6
129.07037	1.3
132.95827	6.9
133.02917	1.0
133.10138	15.7
135.11705	6.4
137.05977	6.1
137.09625	41.2
141.06979	3.7
143.08577	1.4
148.16927	0.7
150.96906	4.3
151.03944	0.9
151.11188	27.0
151.62907	0.7
153.06960	1.9
154.07782	3.4
155.08557	6.6
155.71320	0.8
155.97453	3.8
156.09370	1.2
161.09654	8.0
167.08621	6.4
169.06436	0.8
169.10123	5.0
169.12250	1.6
173.98531	4.2
178.07759	9.0
179.08640	6.4
179.10683	100.0
180.10995	1.9
182.07315	3.3
182.10901	5.9
197.08018	1.6
197.09659	10.3
197.11719	11.4
197.13301	13.2
198.18562	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1174
Annotation	Kobifuranone A
Peak:m/z	Relative Intensity
50.50850	0.8
50.74346	0.7
51.02382	0.8
52.37709	0.7
53.03715	0.9
53.03950	15.1
54.92939	0.7
55.01878	4.9
55.05275	0.8
55.05512	9.3
57.03425	2.8
57.07078	24.1
57.11123	0.6
59.04988	1.0
65.03925	2.3
67.05508	17.7
68.99780	0.8
69.03432	3.7
69.07066	5.4
69.53819	3.8
70.95851	2.6
71.01340	1.4
71.04998	4.0
72.93772	1.2
78.59650	0.8
79.05498	14.4
81.03423	22.8
81.07058	35.2
83.01334	1.2
83.04966	3.1
83.08638	1.3
85.06546	11.2
91.05484	24.9
93.07046	11.5
95.04967	14.8
95.08611	8.8
97.02883	2.9
97.06534	9.4
99.04449	1.9
103.05479	4.0
105.03373	1.4
105.04502	1.8
105.07030	19.9
107.04961	1.8
107.08598	10.8
108.05718	2.4
109.06521	17.1
109.10172	4.8
111.04462	1.8
111.08092	1.8
111.22343	0.7
111.98483	2.7
113.05978	1.7
115.05461	0.8
117.07022	1.2
118.07790	0.8
119.04945	14.5
119.08607	2.9
121.06511	2.3
121.10135	1.5
123.04393	3.4
123.08108	3.8
123.11687	6.3
125.05994	14.5
128.06227	2.1
131.08603	1.4
132.95850	6.6
133.02887	1.2
133.06480	0.8
133.10138	17.4
133.13011	0.7
135.11696	3.1
136.05185	1.0
137.05981	10.6
137.09624	1.7
139.11201	1.9
141.05469	42.5
141.07034	3.8
143.08585	3.4
146.07315	0.9
147.39265	0.6
150.06696	1.1
150.96880	4.3
151.03975	0.9
151.07587	1.2
151.11185	25.6
153.07014	1.2
153.12854	0.9
154.06245	1.9
154.07785	1.5
155.08565	4.1
155.10641	1.3
155.97400	3.6
156.09296	1.4
161.09605	7.5
165.05435	1.3
167.08617	2.8
169.06401	0.7
169.10152	2.9
171.37671	0.7
173.98485	3.6
178.07730	4.3
179.08649	2.4
179.10677	53.9
182.07256	1.2
182.10947	3.4
197.09709	4.8
197.11726	100.0
197.13257	7.5
198.18539	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	197.1174
Annotation	Kobifuranone A
Peak:m/z	Relative Intensity
51.02381	1.2
53.03952	5.1
53.04167	1.0
55.05500	4.0
57.03426	1.6
57.07092	1.0
59.04991	2.2
65.03935	1.3
65.96846	0.9
67.05510	6.5
69.03413	1.4
69.07050	1.4
70.64558	3.1
70.95843	1.5
75.02685	0.9
76.01057	1.0
77.03915	2.7
79.05499	11.4
81.03413	1.4
81.07052	5.7
85.06535	1.1
91.05481	22.8
93.07050	27.6
95.04971	11.2
95.08614	4.4
97.06525	1.2
105.03394	75.7
105.04539	3.1
105.07031	29.9
106.03680	1.5
107.08595	67.3
109.06504	5.2
109.10149	5.9
113.05987	1.0
115.05470	1.4
117.06968	1.2
119.04950	3.4
119.06034	1.1
119.08589	9.4
120.09362	1.0
121.06508	8.6
121.10085	1.6
123.04404	6.1
123.08081	2.2
123.11685	3.6
125.06019	1.9
130.50153	0.9
131.08559	3.0
132.95842	3.4
133.10130	71.2
135.11693	58.0
135.13261	1.4
137.05963	4.8
137.09624	4.1
141.06949	1.8
143.08586	2.0
146.07225	3.0
150.96939	1.1
151.11157	6.5
155.08514	3.8
155.97369	1.1
161.09630	35.8
167.08571	3.3
168.09430	1.3
169.10150	3.4
173.98503	1.1
179.07231	2.3
179.10678	100.0
180.11017	1.3
182.10938	5.0
196.78677	1.0
197.11729	64.3
197.13295	9.7
198.12129	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1175
Annotation	Tschimganical A
Peak:m/z	Relative Intensity
53.03948	1.3
55.01868	3.4
55.05515	6.0
57.03435	1.6
57.07078	1.3
59.05019	1.4
60.26948	1.0
65.03939	1.1
67.05518	6.4
69.03419	4.7
69.07062	4.2
69.72614	2.0
69.73019	5.2
70.45461	1.1
70.95884	6.7
71.04988	2.5
72.93778	2.8
73.02933	1.2
73.96768	1.1
79.05502	12.6
81.07068	12.9
83.04973	2.4
83.08618	1.2
84.04491	1.1
84.37219	1.0
85.06557	2.5
91.05495	22.1
93.07056	21.0
93.12864	1.0
93.46526	1.1
95.04997	8.0
95.08626	10.4
97.06522	3.2
99.08121	1.1
103.05503	1.4
105.03452	1.4
105.07043	32.9
107.04961	1.7
107.08607	100.0
109.06523	7.6
109.10182	8.8
111.04442	1.4
111.98482	6.5
113.09635	1.1
115.05476	1.6
116.67759	1.0
117.12617	1.1
119.04953	5.6
119.08601	17.8
121.06510	3.7
121.10157	19.1
123.04456	2.4
123.06355	2.5
123.08077	3.7
123.11697	6.2
125.05988	4.7
125.09619	1.9
126.21579	1.1
128.06224	2.5
129.06996	2.6
129.99553	2.1
131.08568	4.1
132.95836	13.8
133.06503	1.6
133.10143	66.1
135.08025	1.2
135.11693	8.6
137.05988	13.9
137.09608	6.3
139.07513	3.5
141.06987	9.0
142.07822	1.5
143.08553	3.9
146.07231	1.9
149.09654	10.1
150.96928	9.7
151.03925	1.7
151.07549	3.2
151.11197	21.6
153.07010	3.1
154.07779	5.2
155.08580	13.9
155.10533	1.2
155.97502	6.8
156.09352	7.8
157.10216	1.1
161.09636	22.2
165.05496	1.8
167.08592	10.7
167.10709	26.7
169.06470	1.4
169.10161	9.6
173.98509	6.8
178.07762	1.5
179.08824	2.2
179.10687	54.4
182.05791	1.7
182.07249	1.7
182.10934	11.4
197.06078	1.5
197.09895	15.9
197.11740	47.1
197.13309	29.8
198.18530	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	197.1174
Annotation	Kobifuranone A
Peak:m/z	Relative Intensity
53.03928	1.3
55.01870	0.9
55.05511	7.3
55.87510	0.7
59.04994	1.0
65.03933	1.5
67.05510	5.8
69.03426	2.1
69.07068	2.2
69.24611	4.7
69.25024	1.6
70.95866	3.0
71.05003	2.6
72.08147	0.9
72.93796	2.0
73.02919	1.3
79.05495	6.7
81.03420	1.2
81.07058	8.2
83.04990	1.8
88.96891	0.8
91.05488	16.2
93.03377	0.7
93.07056	10.3
94.32017	0.6
95.04961	3.6
95.08633	3.9
97.03001	0.6
97.06542	1.6
99.04481	1.6
103.05460	0.7
105.03362	1.1
105.07040	23.8
107.04996	1.8
107.08602	100.0
108.08958	1.2
109.02917	0.8
109.06534	8.2
109.10168	9.4
111.04502	1.0
111.08119	0.8
111.98482	4.0
113.05982	1.2
115.05422	0.9
117.07043	1.2
118.07832	0.8
119.04944	1.9
119.06070	1.1
119.08592	6.0
121.06512	3.4
121.10108	1.3
123.04417	1.2
123.08074	2.2
123.11707	2.0
125.05993	4.8
127.03923	1.5
128.06258	1.2
129.07036	1.3
129.99512	1.6
131.08589	3.0
132.95847	8.3
133.02959	1.5
133.06468	1.0
133.10141	57.3
135.08022	0.8
135.11705	13.7
137.05992	12.0
137.09612	4.6
141.07060	3.8
143.08600	2.1
146.07286	1.5
149.09618	0.7
150.96925	7.6
151.03894	6.5
151.04984	1.1
151.07542	1.4
151.11191	5.5
153.07008	1.7
154.07820	2.5
155.08578	9.7
155.97426	4.5
156.09357	2.5
161.09641	16.6
161.10962	1.1
165.05576	1.8
167.08571	6.9
168.09357	1.4
169.10118	8.4
173.98518	5.1
179.07133	1.6
179.10687	20.6
182.05748	1.3
182.07227	0.8
182.10907	8.0
197.04489	1.0
197.08073	2.1
197.11752	35.5
197.13329	16.6
198.18591	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	197.0962
Annotation	trans-4-Hydroxystilbene
Peak:m/z	Relative Intensity
53.03955	1.3
55.01860	2.8
55.05510	3.2
57.03426	0.7
57.07091	0.7
65.03938	3.2
67.05499	3.5
69.03432	2.4
69.07069	2.4
70.95875	2.4
71.05007	1.5
71.17782	1.4
72.93786	1.4
77.03896	0.5
79.05502	3.7
81.03445	0.7
81.07056	6.3
83.04987	2.1
83.08609	0.8
85.06536	1.3
91.05485	94.3
92.05801	0.6
93.07029	3.4
95.04969	6.9
95.08611	5.4
97.06552	0.7
97.10155	0.8
103.05473	24.7
104.06264	1.9
105.03396	5.7
105.07039	3.4
107.08604	5.3
109.06511	3.9
109.10155	3.8
111.04514	0.7
111.08089	0.8
111.98497	2.9
113.09667	0.7
115.05452	0.7
119.04945	100.0
119.08572	2.4
121.10143	1.1
123.04444	0.7
123.08085	1.3
123.11711	3.9
125.06015	1.6
125.09566	0.6
127.07583	0.5
128.06197	1.0
129.06995	1.8
131.08604	0.6
132.95834	4.7
133.10147	4.2
135.11716	2.4
137.05988	5.1
137.09628	4.3
137.13277	0.6
141.07007	6.6
143.08488	0.7
150.96880	4.1
151.03996	0.9
151.11185	3.4
152.06218	0.7
153.06999	2.2
154.07780	4.9
155.08559	6.7
155.97426	2.8
156.09326	1.6
161.09631	2.7
165.05605	1.4
165.06908	1.2
167.07234	1.0
167.08594	6.5
168.09277	1.0
169.10138	7.4
173.98526	3.6
177.06993	1.2
178.07784	32.8
179.08566	19.5
179.10664	11.1
181.06522	2.9
182.07272	7.4
182.10887	5.0
195.08015	0.9
197.04395	0.6
197.08073	1.4
197.09637	26.4
197.11639	3.6
197.13263	9.7
198.18579	4.7
207.09167	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0963
Annotation	trans-4-Hydroxystilbene
Peak:m/z	Relative Intensity
53.03944	1.3
55.01869	2.1
55.05505	1.8
57.03447	0.6
57.07078	3.3
65.03942	2.1
67.05496	3.1
69.03432	1.5
69.07058	0.7
70.36270	0.4
70.95876	2.8
71.05001	0.8
71.51657	0.6
72.93784	0.8
77.03926	0.9
79.05487	3.2
80.07484	0.4
81.03407	1.2
81.07054	3.5
83.04983	1.3
85.06548	1.7
85.10208	0.5
87.81979	0.4
91.05486	88.9
92.05792	0.6
93.03397	0.5
93.07056	1.8
95.04952	2.4
95.08611	2.0
99.04459	0.6
103.05476	22.1
104.06248	2.0
105.03406	4.6
105.04485	0.8
105.07021	3.0
107.08620	2.9
109.06515	2.7
109.10163	1.7
111.98490	1.2
115.05441	0.8
119.04949	100.0
120.05283	1.4
121.10114	0.7
123.04411	0.9
123.11686	0.9
125.06017	0.8
128.06216	0.9
129.06992	1.5
129.99538	0.6
132.95810	3.3
133.02898	0.9
133.10139	3.1
135.11703	1.5
137.05965	2.8
137.09596	0.6
141.05493	1.5
141.07004	6.0
143.08543	0.6
150.96944	2.7
151.03902	0.6
151.11212	1.5
152.06252	0.8
153.06987	2.4
154.07799	3.8
155.08548	3.3
155.97453	1.8
156.09341	0.6
161.09592	1.2
161.13329	0.5
165.07060	1.1
167.08580	5.4
168.09457	0.7
169.06396	0.5
169.10147	5.2
173.98518	2.2
177.07028	1.4
178.07788	30.7
179.08571	19.0
179.10680	2.9
181.06508	2.7
182.05725	1.1
182.07277	7.5
182.10861	2.3
195.08023	1.3
196.08745	0.6
197.08061	1.6
197.09653	27.0
197.11662	3.9
197.13261	5.2
198.18536	2.9
204.64261	0.5
207.09106	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.081
Annotation	beta-Hydroxypropiovanillone
Peak:m/z	Relative Intensity
50.20574	0.3
50.51206	0.3
53.03938	0.9
55.01878	2.5
55.05514	2.1
57.07058	0.3
58.03020	0.3
59.04953	0.3
62.54088	0.3
65.03944	1.9
67.05509	2.4
68.72344	0.3
69.03439	0.4
69.07070	0.4
69.49140	1.7
69.49554	0.6
70.95865	1.0
71.01337	0.3
71.05009	0.4
72.93776	0.6
73.02922	21.3
79.05492	1.0
81.07056	0.9
83.04982	1.3
85.02885	0.3
85.06494	0.3
91.05480	3.1
93.03415	1.7
93.07008	0.5
95.04992	1.5
95.08607	0.8
97.06529	0.7
98.21515	0.5
105.03433	0.5
105.07037	0.6
107.08585	0.6
108.02087	2.4
109.06509	1.0
109.10171	0.6
110.03659	2.8
111.04495	1.5
111.98493	1.2
115.15592	0.4
117.03423	0.4
119.04944	2.0
119.08609	0.4
121.04001	0.4
122.65305	0.4
123.04454	0.4
123.08064	0.3
125.02410	0.3
125.06001	13.7
127.52265	0.3
132.95839	2.4
133.10168	0.6
136.01552	0.6
137.05963	2.4
137.09644	0.5
141.05478	1.6
141.06989	0.5
147.04433	0.4
149.05977	2.9
150.96965	1.5
151.03920	100.0
151.05023	9.6
151.07434	3.6
152.04289	1.1
155.08574	1.4
155.97432	1.3
165.05550	0.3
167.08578	1.0
169.10143	1.0
173.98465	1.4
179.07047	17.5
179.10526	0.5
179.14195	0.3
182.05786	0.8
182.10942	1.5
197.04398	0.5
197.08109	5.1
197.09782	0.6
197.11697	0.5
197.13234	2.5
198.18564	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0811
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02361	1.1
53.03752	0.4
53.03959	5.3
55.01871	1.2
55.05514	4.2
57.03436	2.3
57.07088	0.6
65.03929	1.1
67.05506	3.9
68.99798	0.5
69.03426	1.6
69.07074	2.1
70.95872	4.1
71.04989	1.8
71.23892	0.8
72.08159	1.5
72.78612	0.5
72.93801	3.0
73.02918	1.6
77.03938	1.8
79.05074	0.7
79.05500	9.1
81.03416	2.1
81.07070	5.3
81.61057	0.7
83.04995	2.0
83.08614	0.8
84.04505	0.7
85.06530	0.9
88.96904	0.7
90.94839	0.6
91.05500	4.7
93.03422	0.5
93.07063	3.9
94.04197	0.9
95.04979	6.8
95.08617	2.9
97.02899	0.7
97.06557	2.5
99.04462	1.3
105.03405	100.0
105.04554	3.2
105.07039	5.2
106.03752	1.8
107.04955	0.9
107.08587	4.2
109.02913	0.7
109.06531	5.7
109.10181	2.1
111.04459	1.3
111.08109	0.9
111.98499	3.5
113.06061	0.6
113.96419	1.0
115.05477	0.7
117.07032	0.5
119.04977	1.2
119.08588	2.0
121.10166	1.6
122.03625	0.5
123.04445	6.1
123.08099	2.4
123.11726	1.1
125.02430	1.0
125.06017	1.9
125.09636	0.9
127.03989	0.7
129.07053	0.9
129.99545	1.2
131.08556	0.6
132.95853	9.6
133.02847	1.8
133.10164	3.6
135.04430	0.6
135.08093	0.8
135.11707	1.5
136.05215	0.7
137.06003	9.8
137.09631	2.3
139.03902	0.9
139.07597	0.8
141.05467	1.1
141.07002	4.3
142.07797	1.1
143.08563	1.2
147.04445	1.4
150.96912	8.9
151.03938	9.8
151.05038	0.9
151.07574	2.1
151.11220	1.7
152.04691	1.8
152.06039	0.5
153.05582	0.6
153.07039	1.6
154.07825	2.0
155.08575	9.7
155.97441	5.7
156.09386	2.9
160.23119	0.5
161.09666	2.0
165.05511	1.6
165.06927	1.0
167.03363	0.5
167.07129	1.0
167.08548	5.7
168.09422	1.4
169.04935	0.5
169.10135	8.5
173.98502	5.7
179.03484	0.6
179.07082	5.7
179.08395	0.7
179.10692	3.8
179.14326	1.1
181.05055	0.6
181.10199	0.8
182.05786	8.6
182.07271	1.0
182.10931	8.2
187.02893	0.5
197.06329	0.9
197.08141	4.0
197.09657	2.1
197.11726	3.6
197.13315	19.1
198.18593	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	197.081
Annotation	beta-Hydroxypropiovanillone
Peak:m/z	Relative Intensity
52.28793	0.4
53.03945	1.6
55.01877	3.6
55.05518	5.7
57.03448	0.6
57.07082	0.4
59.04997	0.4
65.03939	2.6
67.05509	3.4
69.03432	1.6
69.07066	1.7
69.51711	2.9
70.06597	0.4
70.95863	2.6
71.05005	1.1
72.08157	1.4
72.93795	1.3
73.02922	20.3
77.03950	0.7
79.01858	0.7
79.05492	3.0
81.03430	1.2
81.07072	3.1
83.04988	3.9
84.08105	0.6
85.02913	1.3
85.06546	0.5
88.96908	0.5
89.03946	0.6
91.05485	5.7
93.03416	1.4
93.07055	2.0
95.04981	3.9
95.08608	2.5
96.50572	0.4
96.76077	0.4
97.02897	1.4
97.06534	1.4
105.03392	6.0
105.04535	0.6
105.07040	4.5
107.01346	1.3
107.04982	0.7
107.08585	2.0
108.02124	2.2
109.02904	1.1
109.06529	4.3
109.10181	1.4
110.03658	2.6
111.04451	2.6
111.08113	0.6
111.09008	0.4
111.98490	2.6
112.07589	0.4
113.02398	0.5
117.07022	1.0
119.04970	2.3
119.08601	1.3
121.10155	0.6
122.03679	0.5
123.04443	1.7
123.06800	0.4
123.08061	2.1
123.11728	0.6
125.02372	2.5
125.06004	15.2
128.06265	0.8
129.07033	0.8
129.99541	1.2
131.08583	0.4
132.95848	6.5
133.02858	1.2
133.10159	2.5
135.11714	0.8
136.01613	0.9
137.06007	5.6
137.09659	1.8
138.05544	0.6
141.05504	2.0
141.07005	4.0
142.07788	1.9
143.08582	1.4
149.06009	2.8
150.96902	5.2
151.03920	100.0
151.05029	9.3
151.07468	3.9
151.11179	0.5
152.04256	1.2
153.05681	0.7
153.07007	2.2
154.06221	0.5
154.07794	1.9
155.08571	12.6
155.97449	3.9
156.09366	3.9
157.10181	1.6
161.09673	1.0
165.05495	1.3
165.06880	0.5
167.08580	9.6
167.09889	0.8
168.09302	2.2
169.10144	10.4
173.98489	4.3
179.07045	17.1
179.10577	2.6
179.14307	1.2
181.10164	1.1
182.05785	1.6
182.10933	12.4
182.12567	0.5
197.04387	1.6
197.06210	0.9
197.08128	6.7
197.09557	0.8
197.11768	1.8
197.13286	29.2
198.13560	0.6
198.18521	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	195.1745
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	3.4
55.05515	13.8
57.03442	2.2
57.07085	12.5
67.05503	11.2
68.49448	1.4
69.03431	4.3
69.07069	21.8
70.96682	3.7
71.04992	3.1
77.03933	1.5
79.05496	15.4
81.03383	1.6
81.07063	38.7
83.04983	3.3
83.06111	1.4
83.08634	12.0
85.06556	3.3
89.03886	1.4
91.05478	11.7
93.07053	29.4
95.04958	4.5
95.08616	62.6
97.02896	2.1
97.06527	2.5
97.10185	5.1
99.08099	14.7
102.47907	1.6
103.05451	2.1
105.07019	10.1
107.04974	22.8
107.08604	48.7
109.06558	2.9
109.10164	17.6
109.83041	1.6
111.08064	8.8
111.11703	2.7
112.81892	1.2
113.09663	2.0
115.45629	1.3
117.03397	2.8
117.07038	2.0
119.08571	2.5
121.06547	4.5
121.10152	55.5
123.08075	2.0
123.11733	11.6
125.09618	9.9
131.08557	1.2
133.10127	3.0
135.04414	5.7
135.08063	6.9
135.11699	30.1
136.12068	1.6
137.05995	3.1
137.13263	100.0
139.11142	4.2
145.02867	3.6
149.06021	4.2
149.09657	4.2
149.13309	10.4
151.83098	1.3
152.06171	1.5
153.05389	1.3
154.06244	1.5
159.11693	3.3
163.03943	6.2
163.07578	4.3
165.07014	5.5
166.07718	1.7
167.07016	4.1
167.08606	4.6
177.05481	4.2
177.09167	3.2
177.12822	3.1
177.16405	53.0
178.16750	1.6
180.09329	3.7
195.04933	1.4
195.06592	5.8
195.10144	4.7
195.11740	8.0
195.13797	4.4
195.17480	47.8
213.07568	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.081
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	1.1
53.03948	6.1
53.23834	1.0
55.05503	3.8
57.03439	1.6
57.07064	1.0
59.04989	3.4
65.03917	1.8
67.05499	7.1
69.03414	2.6
69.07062	2.2
70.77558	2.6
77.00120	0.9
77.03928	1.8
79.05116	1.1
79.05498	10.0
81.07060	7.2
91.05488	21.6
93.07048	23.5
95.04971	13.8
95.08598	2.3
103.05494	1.0
105.03397	86.9
105.04535	3.1
105.07034	37.9
107.04984	1.3
107.08598	69.3
109.06520	5.7
109.10156	7.9
113.06010	1.1
115.05420	1.3
119.04972	2.3
119.06002	1.4
119.08595	8.0
121.06510	6.6
123.04432	5.1
123.11694	3.1
125.05987	1.0
128.06180	1.6
131.08571	1.8
132.95866	3.0
133.10135	71.8
134.10460	1.3
135.11693	57.5
137.05983	5.2
137.09622	5.1
141.07031	1.8
143.08536	2.9
146.07259	1.7
150.96970	1.9
151.11176	6.0
153.06935	1.1
155.08539	3.1
155.97461	1.1
156.09305	1.7
161.09621	38.5
167.07196	1.6
167.08574	4.3
169.10138	4.2
179.07155	2.9
179.10678	100.0
180.11011	1.8
181.10103	1.1
182.10857	5.3
183.61047	1.0
197.11731	64.8
197.13307	9.7
198.18535	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1746
Annotation	Geranylacetone
Peak:m/z	Relative Intensity
53.03957	1.5
55.01867	1.3
55.05519	8.7
57.03439	1.4
57.06824	1.2
57.07076	11.1
59.04998	1.3
65.03959	0.9
67.05225	0.8
67.05508	8.2
69.03421	1.4
69.07072	13.7
69.53452	5.6
71.04993	2.9
79.05498	9.8
79.09202	0.8
81.07062	28.1
83.04976	1.8
83.08627	8.7
85.06544	1.3
89.03921	1.2
91.05484	7.3
93.07047	18.5
95.04971	2.4
95.08616	49.6
97.06531	2.2
97.10165	3.7
98.20744	1.0
99.08091	4.4
103.05460	2.1
105.07047	6.8
107.04301	1.3
107.04971	16.8
107.08601	33.5
109.06515	2.4
109.10165	16.0
111.08086	3.6
115.05509	1.2
117.03364	1.4
117.07037	1.1
119.08602	3.0
121.02869	0.8
121.06516	1.9
121.10151	43.1
123.04470	0.8
123.08037	1.6
123.11697	11.1
125.09621	4.0
131.08592	1.8
133.10141	0.9
135.04410	3.0
135.08054	5.5
135.11703	17.7
137.06001	0.9
137.13266	100.0
138.13628	0.9
139.07504	1.2
139.11192	2.2
145.02878	2.8
149.06036	1.9
149.09624	1.5
149.13254	6.0
151.07550	1.0
151.14806	2.1
153.05501	1.0
154.06223	0.8
155.06989	0.7
159.11655	1.4
163.03905	3.0
163.07521	4.7
165.06987	2.1
167.07053	4.2
177.05479	3.2
177.09000	0.9
177.12796	1.6
177.16406	41.2
180.09320	1.0
182.93584	0.8
195.02782	0.9
195.06516	2.2
195.08403	1.2
195.10168	5.7
195.11742	3.3
195.13731	1.7
195.17464	37.0
196.17792	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1745
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	1.9
55.01873	5.4
55.05513	13.3
57.03412	1.6
57.07083	14.8
65.03928	3.3
67.05507	15.4
69.03425	6.6
69.07075	20.6
69.39578	12.6
71.04996	3.0
72.70927	1.6
79.05501	21.9
80.61018	1.5
81.03411	2.1
81.07065	38.1
83.04986	2.7
83.08633	9.8
85.06537	3.8
89.03907	2.8
91.05492	18.1
92.71552	1.6
93.06484	2.5
93.07050	36.6
95.04953	6.1
95.08613	61.2
97.06532	3.8
97.10170	3.7
99.08052	3.6
103.05472	7.4
105.07038	18.4
107.04965	38.8
107.05545	1.1
107.08602	48.7
109.06512	4.3
109.10165	22.9
111.04435	2.7
111.08080	5.8
113.09694	2.2
115.05466	3.1
117.03326	1.9
117.07028	3.6
119.08572	4.5
121.06556	7.9
121.10149	63.2
123.08077	3.7
123.11700	13.9
125.06011	3.6
125.09641	6.0
131.08566	8.7
133.06514	1.7
133.10181	2.0
135.04417	5.2
135.08069	14.3
135.11696	25.1
137.13264	100.0
139.03918	3.9
139.07553	4.2
139.11206	6.1
143.37509	1.7
145.02841	4.2
147.04437	1.7
147.09113	1.7
149.02367	5.2
149.05972	4.0
149.09621	18.8
149.13257	10.1
151.07562	3.7
151.11145	2.6
151.14896	1.7
153.05486	3.9
154.06212	4.1
159.11661	3.0
163.03874	4.7
163.07524	11.2
165.07014	6.5
165.16335	2.7
167.07036	11.5
167.08481	2.9
167.10641	2.3
177.05470	6.4
177.09097	4.5
177.12787	4.4
177.16428	47.4
180.07910	2.0
180.09344	5.1
195.06490	4.7
195.08298	3.6
195.10181	19.7
195.11717	6.7
195.13664	3.4
195.17465	42.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1745
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	1.9
55.01873	5.4
55.05513	13.3
57.03412	1.6
57.07083	14.8
65.03928	3.3
67.05507	15.4
69.03425	6.6
69.07075	20.6
69.39578	12.6
71.04996	3.0
72.70927	1.6
79.05501	21.9
80.61018	1.5
81.03411	2.1
81.07065	38.1
83.04986	2.7
83.08633	9.8
85.06537	3.8
89.03907	2.8
91.05492	18.1
92.71552	1.6
93.06484	2.5
93.07050	36.6
95.04953	6.1
95.08613	61.2
97.06532	3.8
97.10170	3.7
99.08052	3.6
103.05472	7.4
105.07038	18.4
107.04965	38.8
107.05545	1.1
107.08602	48.7
109.06512	4.3
109.10165	22.9
111.04435	2.7
111.08080	5.8
113.09694	2.2
115.05466	3.1
117.03326	1.9
117.07028	3.6
119.08572	4.5
121.06556	7.9
121.10149	63.2
123.08077	3.7
123.11700	13.9
125.06011	3.6
125.09641	6.0
131.08566	8.7
133.06514	1.7
133.10181	2.0
135.04417	5.2
135.08069	14.3
135.11696	25.1
137.13264	100.0
139.03918	3.9
139.07553	4.2
139.11206	6.1
143.37509	1.7
145.02841	4.2
147.04437	1.7
147.09113	1.7
149.02367	5.2
149.05972	4.0
149.09621	18.8
149.13257	10.1
151.07562	3.7
151.11145	2.6
151.14896	1.7
153.05486	3.9
154.06212	4.1
159.11661	3.0
163.03874	4.7
163.07524	11.2
165.07014	6.5
165.16335	2.7
167.07036	11.5
167.08481	2.9
167.10641	2.3
177.05470	6.4
177.09097	4.5
177.12787	4.4
177.16428	47.4
180.07910	2.0
180.09344	5.1
195.06490	4.7
195.08298	3.6
195.10181	19.7
195.11717	6.7
195.13664	3.4
195.17465	42.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1383
Annotation	6-Methyl-7-(3-oxobutyl)-bicyclo[4.1.0]heptan-3-one
Peak:m/z	Relative Intensity
53.03956	4.3
55.01874	4.2
55.05518	19.1
56.96551	1.0
57.03445	2.4
57.07078	1.3
59.04985	2.0
64.46187	0.8
65.03939	1.8
67.05509	10.3
68.99813	1.2
69.03445	5.5
69.07076	5.5
69.86045	4.7
71.05009	2.6
72.08174	1.2
78.04708	0.9
79.05501	17.1
81.03416	2.2
81.07055	10.2
83.01353	48.2
83.04993	33.4
83.08624	2.1
85.02917	1.3
85.06594	1.6
89.03926	12.0
91.05491	16.5
93.03400	2.3
93.07058	26.3
95.04987	6.9
95.08614	8.8
97.06533	4.8
99.04447	1.0
99.08092	1.2
101.06036	1.2
103.05458	7.0
105.04525	0.9
105.07046	13.0
106.04218	1.3
106.07384	1.0
107.04969	39.3
107.08597	15.9
109.02917	1.2
109.06531	7.4
109.10156	3.3
110.03739	1.1
111.04469	4.1
111.08092	50.2
112.08422	1.6
115.05511	2.5
117.03396	22.5
117.07009	2.0
119.04970	1.3
119.08588	4.8
120.05724	0.9
121.06511	7.7
121.10159	13.7
123.04438	1.4
123.08108	5.9
123.11720	1.3
124.05235	1.7
125.05999	3.2
125.09610	1.7
129.07028	1.0
130.96355	1.2
131.05002	2.0
131.08588	6.3
133.02859	1.3
133.06506	1.9
133.10149	3.5
134.03635	2.8
135.04439	7.4
135.07130	1.8
135.08080	19.9
135.09114	1.0
135.11717	8.5
136.00739	0.9
136.08475	1.2
137.06004	3.3
137.09644	3.5
139.03992	1.8
139.07558	100.0
140.07912	2.3
145.02869	39.6
147.04398	1.6
149.06017	15.4
149.09644	13.3
149.13264	4.2
151.03949	1.0
151.07545	5.4
151.11172	1.4
152.04655	1.0
152.06174	1.4
153.01881	1.9
153.05496	4.3
153.09108	1.6
154.06253	1.7
159.11734	3.6
163.03951	8.2
163.06389	1.1
163.07584	10.9
165.05486	2.3
165.07011	5.6
167.07077	11.7
167.08496	1.3
167.10703	2.9
177.05490	44.7
177.09065	7.3
177.12775	7.5
177.16376	1.2
178.08672	2.0
179.08592	1.7
180.04248	1.0
180.07835	2.3
180.09381	3.2
195.02934	2.5
195.06534	8.7
195.08261	1.5
195.10207	15.8
195.11780	6.1
195.13837	40.7
196.09708	1.2
196.14192	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1382
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
53.03955	4.8
55.01873	3.7
55.05513	18.7
55.05765	2.0
56.96574	1.5
57.03431	4.0
57.07079	1.1
57.62169	0.9
60.81948	0.9
61.25180	1.0
65.03935	3.6
67.05512	60.6
69.07074	16.9
71.01359	1.4
71.02852	2.5
71.04992	5.4
73.02913	1.3
77.03907	1.3
79.05502	44.7
81.03420	12.5
81.07065	100.0
83.04987	10.6
83.08620	11.0
85.02862	1.4
85.06537	5.1
87.04509	1.1
91.05489	39.7
93.07053	57.7
95.04984	6.1
95.08617	29.4
97.06544	9.6
98.21481	1.1
105.04502	2.0
105.07053	14.1
107.04960	3.0
107.08607	24.0
109.06535	3.4
109.10180	4.1
111.08085	4.1
115.05508	1.3
117.07032	13.5
119.08571	3.5
121.06512	5.8
121.10143	6.9
123.08056	1.6
123.11725	2.8
129.06993	2.0
131.08575	14.6
133.10146	27.5
135.08112	5.4
135.11700	34.1
139.07579	1.0
144.54146	1.1
149.09636	1.8
149.13287	18.2
151.11168	3.0
159.11703	14.5
167.14378	1.1
177.12787	10.2
195.13826	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	195.1383
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
53.03957	4.4
55.01880	4.2
55.05518	11.5
56.96561	3.5
57.03436	3.1
57.07056	1.2
65.03944	2.6
67.05515	49.8
69.03449	2.0
69.07079	12.5
69.70542	5.2
69.96081	0.8
70.06589	0.9
71.01359	1.5
71.04994	4.5
73.02904	1.8
79.05504	36.7
81.03436	8.6
81.07069	100.0
82.07384	1.4
83.04990	7.8
83.08622	4.9
84.08177	1.1
85.02910	1.4
85.06535	4.7
89.03931	2.0
89.06055	1.7
91.05490	24.4
93.07056	58.7
93.17100	0.8
95.04980	8.7
95.08618	43.9
97.06557	9.8
99.04385	0.9
101.06043	1.4
103.05479	2.1
105.04512	2.0
105.07044	11.0
107.04980	8.1
107.08607	25.0
109.06532	3.7
109.10171	3.5
109.98914	1.3
111.04459	1.6
111.08096	4.8
115.05462	1.0
117.03385	3.7
117.07015	8.3
119.08599	2.5
121.02951	0.8
121.06516	5.6
121.07248	0.8
121.10141	8.6
123.08069	1.9
123.11694	1.5
125.06042	1.1
125.09656	1.8
127.07548	0.8
129.07011	1.5
130.96342	1.4
131.08582	11.8
131.96173	1.7
132.06085	1.0
133.10144	13.9
135.04419	2.9
135.08093	6.3
135.11713	37.8
136.12126	1.2
137.09657	1.2
137.13245	1.7
139.03871	1.9
139.07570	1.4
145.02844	5.2
148.97389	2.2
149.05974	2.9
149.09624	2.9
149.13289	16.3
149.97258	1.5
150.09203	0.9
151.11188	1.6
153.05551	0.8
153.97874	0.9
154.06297	1.7
159.11714	15.9
163.03966	4.0
163.07564	2.2
165.05769	1.1
165.06998	5.3
167.07133	1.5
167.08679	2.9
168.10201	2.7
171.98997	1.4
174.08008	0.9
177.04149	1.3
177.05469	6.5
177.09055	1.5
177.12801	11.3
180.09361	3.6
195.02879	2.0
195.06577	3.0
195.08105	2.3
195.10115	2.0
195.11732	9.1
195.13829	13.7
195.15703	2.4
195.17416	1.4
196.09691	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.138
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
53.03937	4.4
55.01852	1.8
55.05515	7.4
57.03433	1.2
57.07062	2.4
59.04992	1.9
67.05516	8.8
69.03403	1.5
69.07066	5.7
70.12880	1.2
71.04999	1.2
71.51677	2.0
79.05497	14.7
81.03409	2.3
81.06654	1.4
81.07067	16.5
83.04993	2.1
83.08591	1.7
84.08179	1.3
85.02897	1.7
89.03929	1.3
89.06040	6.0
91.05486	16.9
91.56166	1.2
93.03396	1.2
93.07048	48.0
95.04971	6.1
95.08611	10.8
96.05743	1.5
97.06519	2.3
103.05441	1.2
105.07040	9.5
107.04971	6.5
107.08604	39.8
108.99965	1.0
109.06521	17.0
109.10134	2.1
111.04472	2.2
111.08083	7.0
117.03342	2.8
117.07010	5.2
119.08578	9.1
120.09358	1.9
121.06537	6.6
121.10146	7.0
123.08102	1.6
124.05151	1.2
125.05993	2.3
125.09637	2.8
130.07773	1.9
131.96133	1.6
133.10136	3.0
135.04387	1.6
135.08063	10.2
135.11699	40.3
137.05994	11.2
137.09619	1.8
137.13316	1.5
139.07556	26.5
145.02849	3.9
145.10149	9.2
148.97389	1.2
149.05959	3.3
149.13266	2.8
149.97186	1.7
152.08307	8.7
152.11990	3.4
153.12772	1.7
159.11728	2.0
163.03909	2.8
163.11177	17.3
165.06937	2.0
167.07085	2.5
167.08661	2.5
167.14304	4.5
177.05482	6.4
177.12720	2.5
177.16393	1.7
180.09428	2.3
195.02953	2.7
195.06454	2.7
195.08212	2.2
195.10065	3.6
195.11803	3.8
195.13817	100.0
196.09657	2.1
196.14117	1.8
196.17075	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1382
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
53.03949	5.3
55.01876	3.7
55.05515	18.8
57.03442	4.6
57.07079	2.5
64.85432	0.6
65.03937	3.5
67.05510	66.2
68.99795	0.9
69.03425	2.4
69.07073	18.8
69.77293	4.5
71.01361	4.2
71.04996	6.8
73.02927	1.4
77.03941	1.0
79.05499	46.8
80.05840	0.8
81.03429	15.1
81.07062	100.0
82.07396	1.2
83.04988	13.0
83.08630	11.5
84.08143	1.0
85.02898	1.3
85.06550	4.2
87.04456	0.8
89.03911	1.1
89.06046	1.8
91.04904	1.7
91.05489	48.0
93.07051	65.3
95.04989	9.6
95.08614	38.3
97.02888	0.8
97.06533	12.7
97.10146	1.3
98.21457	1.5
99.04472	0.8
99.08109	2.5
103.05476	1.5
105.04532	1.7
105.07040	14.5
105.07694	1.4
107.04977	9.8
107.08601	29.9
107.09307	1.6
109.06544	5.4
109.10151	5.6
110.92240	0.8
111.07417	0.9
111.08074	5.9
115.05454	1.9
117.03403	1.6
117.07027	15.0
119.08583	4.7
121.06524	6.7
121.10145	12.3
123.08116	2.0
123.11734	3.0
125.06096	1.2
125.09636	1.3
129.07036	1.4
130.96344	1.5
131.08577	15.8
133.06512	1.5
133.09122	1.6
133.10143	30.9
134.10457	1.0
135.04460	2.7
135.08086	6.0
135.11697	38.0
137.05989	1.1
137.09656	0.9
137.13275	1.5
139.03865	1.1
139.07610	1.3
145.02875	3.4
147.11729	1.2
148.97363	1.0
149.06042	2.0
149.09656	3.5
149.13266	19.0
149.97247	1.1
151.11188	3.8
153.09120	2.0
155.88991	0.7
159.11705	15.6
163.03941	4.9
163.07680	1.3
165.07037	1.7
167.07091	1.8
167.08490	1.4
167.14441	0.9
171.99040	1.1
177.05473	4.7
177.12773	14.4
180.09331	1.6
195.02943	2.4
195.06555	2.1
195.08080	2.0
195.10130	5.7
195.11736	4.7
195.13855	20.3
195.15506	1.2
196.09726	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1018
Annotation	gamma-Methoxyisoeugenol
Peak:m/z	Relative Intensity
53.03949	3.4
55.01872	4.2
55.05314	0.8
55.05521	9.9
56.77630	0.8
57.03431	2.6
57.07074	3.0
59.04990	1.5
65.03944	1.5
67.05518	7.4
69.03442	5.4
69.06744	1.2
69.07082	14.5
69.71619	1.7
69.72029	3.8
71.01361	1.2
71.04649	0.8
71.04995	4.4
72.08157	1.4
77.03934	2.1
78.04724	0.7
79.05502	21.9
80.44178	0.8
81.03426	1.7
81.07069	19.6
83.01311	0.9
83.04992	5.0
83.08638	4.7
85.06567	3.9
89.03918	2.0
91.05494	15.4
93.03416	0.9
93.06493	1.1
93.07058	18.6
95.04999	7.2
95.08623	21.7
97.02905	0.8
97.06541	3.1
97.10165	2.6
99.08105	11.5
103.05487	11.3
105.04538	1.4
105.07039	18.2
106.04199	1.1
107.04969	100.0
107.07876	1.4
107.08609	22.9
108.05264	1.2
109.06535	4.1
109.10166	7.4
111.04450	2.1
111.08081	7.3
111.11736	1.2
115.05476	8.1
117.03390	3.8
117.06337	0.9
117.07013	4.3
119.04963	1.6
119.08585	4.5
120.05730	3.4
121.06508	7.6
121.10158	22.5
123.04434	3.4
123.08067	2.7
123.11706	4.5
124.05206	3.1
125.05989	3.1
125.09644	10.0
131.04936	1.0
131.08571	3.7
133.06543	1.1
133.10144	2.9
135.04451	2.9
135.08075	30.2
135.11722	15.8
137.05975	4.2
137.09660	6.0
137.13240	3.8
139.03944	3.2
139.07530	5.2
139.11195	0.9
140.69405	0.9
141.46890	0.7
145.02856	6.6
145.07635	2.5
147.04407	2.9
148.05194	0.9
149.05994	3.4
149.09644	5.0
149.13268	6.1
150.09212	1.2
151.03929	0.9
151.07588	0.9
151.11232	1.0
153.01865	2.6
153.05510	1.7
153.09081	1.4
153.12704	1.3
154.06255	5.6
159.11722	4.5
163.03922	2.7
163.07564	36.6
165.05516	2.1
165.07016	5.0
167.07074	27.8
167.08426	1.2
177.05502	8.2
177.09116	2.9
177.12814	6.8
177.16417	17.9
178.05055	1.5
180.07834	8.8
180.09355	3.7
195.02853	0.9
195.06558	11.3
195.08281	1.4
195.10191	29.5
195.11751	4.7
195.13821	5.9
195.15781	2.9
195.17406	5.4
196.09932	0.8
200.69518	0.8
206.42938	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.159
Annotation	(-)-gamma-ionone
Peak:m/z	Relative Intensity
53.03951	3.2
55.01850	3.0
55.05515	35.5
57.03428	4.3
57.07067	10.3
59.04995	3.0
60.64846	2.0
65.03951	2.1
67.05515	34.3
69.03418	14.2
69.07072	31.7
70.70921	7.3
71.04980	8.2
71.08593	5.0
79.05504	18.9
81.07066	43.5
83.04994	19.1
83.08627	18.1
85.06547	8.7
91.05484	19.7
93.07056	36.7
95.04966	20.2
95.08619	62.7
97.06531	7.9
97.10165	7.7
99.08098	6.6
103.05463	5.5
103.17892	2.2
105.07041	73.9
107.08601	59.9
109.06530	36.3
109.10168	100.0
111.08087	8.0
115.05473	8.0
115.60842	2.0
117.07012	3.9
118.04169	3.4
119.08595	80.7
121.10152	64.6
122.07339	3.0
123.08083	49.3
123.11706	27.2
125.09652	6.5
131.08543	4.5
133.06509	30.0
133.10144	73.5
135.11697	56.9
137.09636	51.6
137.13255	9.3
138.10416	4.2
139.11153	2.5
143.06081	3.2
145.10124	3.1
147.11736	15.0
148.69427	2.1
149.13263	36.9
151.11197	10.5
151.14781	12.9
161.06018	28.7
165.16417	6.3
175.14848	76.0
180.81244	2.2
183.32425	2.7
190.63319	2.5
190.65158	2.4
193.04994	4.1
193.08632	14.2
193.12206	4.9
193.15910	89.9
194.16328	2.4
201.37837	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1589
Annotation	beta-Ionone
Peak:m/z	Relative Intensity
53.03933	3.9
55.01877	2.6
55.05513	31.9
57.03420	6.4
57.07067	8.8
58.50281	2.2
59.05007	2.8
65.03931	4.2
67.05511	35.2
69.03432	13.7
69.07076	25.8
69.31273	15.4
69.31675	4.7
71.04992	12.5
71.08648	3.0
79.05486	18.7
81.07061	43.5
83.04994	13.8
83.08616	16.7
85.06532	16.7
90.04713	2.4
91.05486	16.6
91.89428	2.0
93.07042	33.4
95.04967	13.9
95.07992	3.1
95.08610	63.5
97.06525	7.6
97.10175	7.4
99.08087	14.0
99.94989	2.4
103.05477	4.7
104.06326	2.7
105.07037	63.7
107.08601	62.8
109.06520	32.9
109.07195	4.1
109.10159	100.0
111.08113	11.0
114.40154	2.1
115.05457	7.8
118.04163	5.1
119.08586	68.5
121.09329	4.0
121.10146	55.3
123.08082	47.5
123.11725	23.4
125.09615	4.0
131.05002	2.4
131.08578	6.0
133.06522	23.9
133.10135	63.5
135.08060	2.6
135.11700	64.6
137.09630	45.7
137.13234	4.8
138.10382	7.1
145.10150	2.5
147.11717	11.2
149.13263	34.2
151.11217	13.4
151.14818	14.3
161.06004	19.6
165.16420	9.2
175.14832	70.1
193.04971	4.4
193.08534	18.1
193.10008	2.0
193.12218	4.7
193.15887	99.2
194.16351	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1589
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
53.03943	3.3
55.01870	5.2
55.05516	13.1
57.03434	2.7
57.05360	1.2
57.07071	4.1
59.05006	3.1
65.03928	2.0
67.05510	23.2
69.03419	4.7
69.07069	11.6
69.28435	1.1
70.28217	4.0
71.04990	4.8
79.05504	19.9
81.07061	25.3
83.04985	11.6
83.08623	4.9
85.06551	9.6
90.04698	2.0
91.05483	19.1
93.07048	19.3
95.04966	7.7
95.08613	22.6
97.06544	3.3
99.04456	1.4
99.08102	34.5
103.05479	13.2
105.07039	100.0
107.08601	25.4
109.02846	1.4
109.06534	12.8
109.10159	42.8
110.10509	1.9
111.08099	3.3
115.05459	16.4
117.07031	2.2
118.04163	9.3
119.08589	31.9
121.06468	1.8
121.10146	14.7
123.06037	1.3
123.08071	14.1
123.11720	9.0
131.04964	4.3
131.08585	1.8
132.05711	2.1
133.02863	1.7
133.06500	74.3
133.10136	37.6
133.11891	1.3
134.06827	2.5
135.08078	2.5
135.11697	25.5
137.05998	2.5
137.09610	19.0
143.05051	1.5
143.06059	6.0
145.10075	1.4
147.04387	1.8
147.08104	3.1
147.11687	13.1
149.05981	1.7
149.09644	1.9
149.13249	6.4
151.11212	8.4
151.14795	2.5
161.05998	72.5
165.12695	2.0
175.07590	2.2
175.11241	5.4
175.14850	25.3
193.04999	6.5
193.08607	20.4
193.12262	5.7
193.15912	42.8
194.33588	1.2
205.85899	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.159
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
53.03939	3.7
55.01860	4.2
55.05516	46.0
55.37975	1.0
57.07079	2.5
58.66168	0.9
59.67278	0.9
64.73860	1.0
66.10020	0.9
67.05183	1.8
67.05510	21.0
68.86259	1.1
69.03410	3.2
69.07072	22.4
71.04981	3.3
71.31050	1.5
71.31402	1.3
71.81619	1.2
79.05499	19.2
81.07063	51.6
83.04989	100.0
83.08631	5.1
85.06528	3.4
88.16475	1.0
90.85773	1.1
91.05489	11.1
93.07047	18.3
95.04962	4.6
95.08064	1.9
95.08617	24.6
97.06534	4.1
99.08094	1.3
103.05453	2.5
105.07035	30.2
107.08609	19.8
108.39334	1.1
109.06526	14.4
109.10169	35.8
111.08073	7.1
111.11728	2.4
115.05457	4.1
118.04180	3.5
119.07813	1.8
119.08594	23.0
121.06523	1.1
121.10154	9.5
123.08083	11.6
123.11730	7.4
125.09569	1.7
131.08545	1.9
133.06516	20.0
133.10138	23.3
135.11713	20.4
137.09631	22.5
143.56471	1.3
146.03619	1.2
147.11707	6.1
149.13245	4.5
151.11169	4.1
151.14857	1.2
161.06003	19.6
175.07542	1.2
175.14847	24.4
193.05045	2.5
193.08591	4.5
193.12245	1.4
193.15903	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	193.1589
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
53.03952	2.6
54.22125	1.6
55.01868	4.8
55.05515	55.7
56.00880	1.6
57.03433	1.7
57.07080	3.9
63.61455	1.7
65.03942	2.6
67.05508	31.4
69.03429	4.4
69.07079	27.2
71.04993	6.6
71.09312	3.9
75.90343	1.7
79.05500	23.2
81.07059	59.1
83.04986	100.0
83.08628	8.0
85.06535	6.6
91.05490	14.3
93.07051	22.6
95.04986	8.4
95.08613	29.2
97.06538	6.2
99.08090	4.2
103.05476	7.6
104.50321	1.9
105.07039	49.1
107.08596	25.5
108.97789	1.7
109.06543	20.6
109.10159	55.8
111.08079	7.6
111.11779	2.4
115.05463	6.7
117.07037	2.4
118.04155	4.5
119.08580	34.2
121.10172	12.9
123.08056	12.6
123.11689	8.7
125.09648	2.7
129.06976	1.8
131.04877	2.6
131.08585	3.4
133.06490	34.6
133.10146	42.5
135.08070	3.2
135.11694	27.8
137.09631	30.1
143.06015	2.7
145.10117	3.7
147.08055	2.6
147.11670	11.9
149.13240	5.2
151.11220	5.2
151.14827	2.1
161.05989	30.0
175.11150	4.4
175.14862	27.8
193.05019	5.0
193.08607	10.6
193.10156	1.6
193.12222	6.4
193.15904	41.9
195.04465	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	193.159
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
51.02370	1.5
53.03937	4.2
55.01864	5.5
55.05515	37.6
57.03440	8.7
57.07071	5.8
59.05001	7.5
62.29591	1.2
63.36655	1.2
65.03944	2.6
66.04736	1.4
67.05186	2.2
67.05512	28.9
69.03442	9.7
69.06727	2.1
69.07072	27.7
70.18292	4.2
71.05010	7.1
71.95237	1.2
77.03944	1.9
79.05497	34.0
81.03427	1.9
81.07065	68.0
83.04990	65.3
83.08624	9.0
84.18058	1.3
85.02920	2.6
85.06557	5.4
88.93918	1.2
90.04710	1.2
91.05489	33.0
93.07049	28.2
95.04974	12.9
95.08616	39.8
97.06533	5.8
97.10188	1.5
99.08088	2.3
103.05490	11.6
104.06298	1.6
105.07039	100.0
106.07391	1.6
107.04969	4.8
107.08609	35.6
109.06528	60.5
109.10159	45.5
111.08128	6.8
111.11676	1.4
115.05468	13.3
117.07018	4.9
118.04181	7.3
119.04925	3.6
119.08591	89.4
120.08830	1.3
121.06519	9.2
121.10140	15.5
123.08079	24.5
123.11716	12.8
129.07005	4.5
131.04916	3.2
131.08562	4.1
132.05756	1.7
133.02858	2.4
133.06500	56.2
133.10143	79.1
134.03650	1.3
135.08093	16.3
135.11700	30.0
137.05997	8.7
137.09633	36.2
137.13235	1.9
142.07796	2.5
143.06078	4.2
145.06467	5.3
145.10121	6.0
146.03592	1.6
146.07256	1.6
147.04503	2.7
147.08084	9.7
147.11697	36.5
147.12820	2.6
148.07631	1.6
149.02306	3.2
149.06001	3.1
149.09613	5.3
149.13278	10.0
150.06743	1.4
150.10423	1.7
151.07578	3.7
151.11179	19.1
151.14832	3.9
157.10123	3.9
160.08809	12.2
160.12471	4.1
161.05984	52.9
165.05472	2.7
165.09093	2.5
165.12785	5.3
175.03860	2.1
175.07735	2.8
175.11218	50.2
175.14841	84.9
176.03468	1.2
176.15169	2.2
178.02602	3.1
178.06317	3.3
193.04993	19.1
193.08609	18.0
193.10384	3.2
193.12260	61.9
193.15903	42.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0861
Annotation	(E)-Methyl 4-methoxycinnamate
Peak:m/z	Relative Intensity
51.02369	0.6
53.03944	1.7
55.01874	5.7
55.05513	4.7
57.03440	1.1
57.07063	1.6
57.51827	0.6
59.04989	1.3
65.03943	0.7
66.04719	0.8
67.05507	6.2
69.03432	1.3
69.07082	3.1
71.05004	1.3
72.08137	0.6
77.03941	1.1
79.05495	17.5
81.03425	1.7
81.07060	6.0
83.04983	3.0
83.08619	3.5
85.06547	2.2
89.03908	0.9
90.04703	1.5
90.66369	0.5
91.05482	10.9
93.07034	6.3
95.01331	0.8
95.04962	4.2
95.08602	5.2
97.06526	0.8
99.08088	2.6
103.05468	18.1
104.06251	0.9
105.07032	100.0
106.07394	1.1
107.04976	1.0
107.08599	6.7
109.06522	4.3
109.10159	8.2
111.08088	0.8
115.05458	24.9
117.07034	1.5
118.04163	11.9
119.08569	9.0
121.06505	1.9
121.10155	2.9
123.04449	0.9
123.08067	4.1
123.11713	2.8
125.09671	0.6
129.06989	1.9
131.04941	3.3
131.08611	1.5
132.05711	1.7
133.06496	85.8
133.10123	11.0
134.06828	1.5
135.08078	2.7
135.11705	5.3
137.05997	2.3
137.09604	4.8
142.07816	0.7
143.04932	2.4
143.06050	8.6
145.10124	1.0
146.03690	0.8
147.04425	1.6
147.08040	2.8
147.11713	4.7
148.07608	1.0
149.06003	1.3
149.09586	0.7
149.13297	1.4
150.03055	0.6
151.07567	2.1
151.11230	3.1
151.14844	0.7
157.06625	0.8
157.10182	1.5
160.05159	0.7
160.08820	1.4
161.05984	86.3
162.06448	1.1
164.01672	0.6
165.05458	0.9
165.09152	1.1
175.03954	1.2
175.07541	1.6
175.11200	6.9
175.14850	7.0
178.06276	0.8
193.04913	3.5
193.08606	15.4
193.10364	1.3
193.12196	5.9
193.15869	10.0
196.40266	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0863
Annotation	(E)-Methyl 4-methoxycinnamate
Peak:m/z	Relative Intensity
53.03951	2.8
55.01871	3.7
55.05508	4.7
56.96566	3.7
65.03926	1.8
67.05506	7.1
69.03438	3.6
69.07060	3.2
69.39465	7.7
69.39875	2.8
71.04998	2.5
72.08127	1.6
74.52162	1.0
79.05497	15.2
80.05014	2.8
81.03418	3.9
81.07051	8.7
83.04992	4.2
83.08612	1.4
87.04456	2.6
91.05493	13.0
93.07050	7.5
94.04190	1.5
95.04986	5.8
95.08622	6.1
98.20718	2.1
103.05477	16.1
105.04586	1.6
105.07040	100.0
107.04955	2.6
107.08617	7.0
109.02886	1.8
109.06510	3.8
109.10187	5.7
115.05470	23.6
117.52580	1.4
118.04164	12.4
119.04943	1.9
119.08558	9.2
121.06481	1.7
121.07630	1.5
121.10167	3.0
123.08067	3.9
123.11787	1.9
131.04944	3.2
131.08607	2.0
132.05788	1.5
133.02885	2.5
133.06505	77.9
133.10170	9.9
135.08057	1.6
135.11722	4.7
136.07556	2.2
137.05980	17.9
137.09647	3.0
143.06055	7.9
146.97443	5.4
147.04417	1.7
147.08061	2.1
147.11711	4.6
149.02409	6.7
149.03398	1.3
149.13225	1.6
151.11157	1.7
161.06003	80.0
165.05469	1.4
165.09015	1.3
165.12669	1.5
166.08629	3.5
169.99086	2.6
175.03932	1.7
175.07585	2.3
175.11166	3.5
175.14835	4.3
178.07930	1.3
193.04956	20.2
193.06770	2.4
193.08453	13.1
193.10213	5.3
193.12270	6.2
193.15895	10.6
194.08223	3.8
194.15445	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	191.1795
Annotation	Senedigitalene
Peak:m/z	Relative Intensity
53.03939	3.5
54.03486	1.5
55.05516	25.4
56.05026	1.3
57.07064	4.9
58.98159	1.3
61.05796	1.4
61.18899	1.2
65.03934	1.5
67.05511	17.2
68.05028	1.6
69.03426	2.9
69.07074	41.5
70.69485	3.0
70.69810	1.7
74.09690	2.2
79.05498	18.1
80.05054	1.4
81.04540	1.7
81.07065	24.5
83.04958	1.5
83.06148	1.6
83.08616	19.6
87.82060	1.2
91.05476	16.0
93.07052	53.2
95.04966	3.4
95.06069	2.0
95.08612	85.5
97.10165	13.6
98.08825	1.2
98.21079	3.1
105.04572	1.5
105.07041	16.1
107.04948	1.2
107.06061	1.4
107.08603	78.9
109.04028	3.6
109.06546	2.6
109.07672	3.2
109.10159	45.4
110.07202	2.6
111.11707	2.1
112.26662	1.2
116.17281	1.3
117.07019	1.8
119.08603	6.4
121.06465	3.7
121.10146	100.0
122.07173	2.2
123.06736	1.7
123.08049	1.5
123.11723	7.3
131.08583	5.3
133.10149	4.5
134.07101	1.8
135.08072	11.0
135.11699	68.9
137.05898	1.4
143.08653	1.7
145.10143	5.4
146.05963	2.3
147.08080	1.5
147.11682	4.0
149.08241	4.4
149.09537	2.8
149.13251	15.4
150.08951	1.3
155.16771	1.3
160.05128	6.3
161.15039	1.3
163.09891	1.6
163.11235	4.2
163.14848	2.7
166.07803	1.3
173.09666	2.9
173.13242	5.9
176.08337	3.8
177.07889	1.8
191.03477	1.8
191.05299	1.4
191.06877	1.5
191.10704	22.4
191.12872	2.6
191.14346	15.7
191.17972	78.4
192.10234	6.4
192.12398	2.5
192.17455	1.7
197.43672	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1797
Annotation	Senedigitalene
Peak:m/z	Relative Intensity
53.03939	2.6
55.05518	24.6
56.05037	3.5
57.07082	5.2
65.03934	3.0
67.05510	15.7
68.05024	3.9
69.03438	3.7
69.06744	2.4
69.07085	40.2
70.69009	5.8
74.09741	14.4
79.05518	22.4
80.05021	2.8
81.04563	2.6
81.07072	18.7
83.08637	17.3
91.05471	18.9
93.07062	61.6
95.08628	83.0
96.08158	2.4
97.07628	2.4
97.10195	11.5
105.07054	19.9
107.04988	3.5
107.08617	82.3
109.04047	5.4
109.06475	3.0
109.07658	6.9
109.10181	46.0
110.07185	5.5
111.04484	3.1
115.05426	4.3
117.07000	3.1
117.08570	2.5
119.08596	7.0
121.06497	8.1
121.07640	2.4
121.10168	100.0
122.07185	5.4
123.08118	3.7
123.11747	11.5
123.98674	2.6
131.08615	8.4
132.05614	2.5
133.07605	3.5
133.10149	9.6
135.08084	20.0
135.11717	64.1
145.10165	9.9
147.04446	3.9
147.11729	6.4
148.08752	3.4
149.08240	7.5
149.09622	4.3
149.13307	18.5
150.10258	5.1
151.11176	2.5
158.07298	3.9
160.03957	3.0
160.05147	10.9
163.11205	5.1
163.14902	3.8
173.09724	7.3
173.13319	3.8
176.08339	6.7
191.06935	3.8
191.10722	41.3
191.12842	6.2
191.14340	31.0
191.17995	81.4
192.10246	8.7
192.12488	6.7
192.17606	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0498
Annotation	4-METHYLDAPHNETIN
Peak:m/z	Relative Intensity
53.03941	0.5
55.01867	0.6
55.05304	0.2
55.05513	2.5
57.03435	0.3
61.15322	0.2
65.03948	0.2
67.01870	3.0
67.05500	1.7
68.99796	1.5
69.03416	0.6
69.07069	1.2
70.28217	0.8
71.04991	0.2
79.05501	2.2
81.03442	0.4
81.07058	2.8
83.04986	3.7
83.78356	0.2
85.02911	1.4
85.06533	0.3
91.01852	0.2
91.05491	2.2
93.07048	1.4
95.04957	0.9
95.08614	2.0
97.06539	0.3
98.21467	0.2
99.08086	0.9
103.05491	1.8
105.07042	12.2
106.07300	0.2
107.04966	0.4
107.08616	2.1
109.02882	0.6
109.06521	0.9
109.10170	2.7
115.05466	2.3
117.07027	0.3
118.04164	1.5
119.04950	0.5
119.08598	2.6
121.06500	0.3
121.10141	1.0
123.04448	0.4
123.08071	1.0
123.11652	0.5
125.02321	0.4
125.06002	1.6
127.03917	0.7
131.04913	0.5
131.08636	0.3
133.02820	0.2
133.06503	9.1
133.10133	3.2
135.08041	0.4
135.11717	1.2
137.06006	0.7
137.09654	1.5
143.06070	0.8
147.04428	2.2
147.08012	0.3
147.11723	1.1
149.05983	0.4
149.13269	0.3
151.03862	1.3
151.11195	0.5
153.01837	3.2
157.10019	0.3
161.05998	10.0
165.05518	0.3
165.09125	0.3
169.04935	1.0
175.03894	0.5
175.07484	0.3
175.11182	0.3
175.14847	1.8
178.06334	0.4
193.04979	100.0
193.08629	3.1
193.12093	1.1
193.15942	2.7
194.05336	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1432
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
53.03947	1.2
55.01860	4.6
55.05502	4.7
57.03436	1.5
57.07075	2.2
65.03928	1.5
67.05511	15.6
69.03437	6.5
69.07077	12.7
69.90689	3.1
69.91093	2.5
71.05008	9.3
79.05500	11.0
81.07066	14.4
83.04980	3.8
83.08597	3.8
85.06532	3.6
91.05488	18.5
93.07059	17.8
95.04977	12.6
95.08612	14.4
97.06541	5.4
97.10198	1.3
97.11341	0.9
103.05477	5.4
105.07043	25.3
107.04939	2.6
107.08605	33.6
109.06533	30.9
109.10165	54.4
111.08070	1.8
115.05439	2.3
116.06257	1.4
117.07041	8.0
119.08595	12.8
121.06521	11.6
121.10154	20.8
123.08080	10.4
129.07001	3.4
130.07765	2.9
131.04962	5.4
131.08577	40.2
133.06483	1.3
133.10141	27.8
135.08069	62.1
135.11688	5.3
143.08604	6.3
144.09331	2.0
145.10132	16.3
147.08076	2.1
147.11711	12.2
148.05148	2.4
148.08821	3.3
149.09628	14.6
149.13281	12.7
150.10382	3.3
158.10942	10.5
161.09665	5.2
163.07538	4.7
163.11127	2.5
163.14810	2.3
173.09567	1.0
173.13272	36.8
176.11964	1.9
191.07034	4.9
191.10742	5.2
191.14319	100.0
214.33110	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1433
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
53.03944	3.2
55.01865	3.0
55.05526	12.8
57.03423	3.4
57.07076	3.7
65.03958	1.8
67.05512	9.1
69.03150	1.6
69.03445	19.8
69.07080	12.4
69.79826	1.8
70.63893	4.7
71.04994	5.3
73.83755	1.4
78.39024	1.3
79.05502	12.6
80.53028	1.5
81.07060	12.4
83.04993	11.8
83.08623	5.7
85.06532	3.0
85.93016	1.4
91.05495	25.4
93.07063	24.0
95.04979	4.4
95.08620	16.8
96.36294	1.5
97.06539	5.9
103.05473	13.5
105.07044	52.5
107.04957	2.3
107.08614	59.9
109.06507	8.9
109.10171	10.9
115.05473	4.9
117.07005	11.6
118.04183	2.4
119.06054	1.4
119.08596	33.8
121.06516	15.1
121.10167	53.4
123.08097	4.1
128.06274	2.2
129.07024	7.8
130.07761	2.3
131.04936	8.4
131.08591	77.5
133.10146	50.3
134.10670	1.4
135.08067	26.0
135.11700	12.4
136.08887	2.1
137.09624	2.5
143.08574	17.0
144.09370	7.1
145.06502	4.6
145.10138	35.9
147.08070	2.6
147.11691	22.8
148.05188	4.6
149.09683	10.5
149.13271	22.2
158.07349	2.6
158.10953	25.3
158.52507	1.5
161.09618	2.7
161.13293	4.7
163.07556	7.7
163.11182	3.3
163.14825	14.0
171.11703	2.6
173.06218	2.0
173.09659	6.5
173.13290	86.5
176.04744	2.9
187.78325	1.4
191.07022	9.0
191.10692	12.3
191.14336	100.0
192.14699	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1432
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	2.2
53.43502	1.2
55.05516	7.4
57.07062	2.0
59.05007	1.2
67.05513	6.9
69.03442	7.0
69.06738	1.2
69.07066	9.2
69.38496	9.6
71.04972	3.5
79.05489	9.4
81.07069	10.7
83.04973	4.8
83.08624	5.6
85.06551	2.8
89.12001	1.3
90.02023	1.3
91.05482	21.9
93.07044	17.7
95.04969	5.2
95.08595	11.8
97.06513	10.9
103.05482	6.0
105.07034	43.3
105.30526	1.2
107.04952	2.5
107.08599	34.3
109.06513	8.1
109.10150	11.0
111.08076	2.4
115.05404	1.7
116.06248	1.5
117.07015	5.9
119.08594	17.9
121.06516	10.8
121.10157	17.2
123.08095	7.1
123.11710	1.4
129.06992	3.6
130.07782	2.0
131.04933	5.8
131.07603	2.2
131.08578	40.5
132.15439	1.3
133.06488	1.7
133.10138	100.0
134.10522	1.3
135.07114	2.2
135.08060	18.0
135.11674	5.0
143.08574	9.3
144.09352	2.7
145.10132	20.5
147.11691	11.6
148.05234	3.6
148.08803	2.1
149.05951	2.4
149.09631	8.5
149.13274	12.8
158.10928	14.7
161.09647	1.5
163.07542	6.1
163.11156	3.5
163.14824	5.1
173.09744	1.9
173.13278	49.2
176.04611	1.4
191.07034	4.5
191.10678	4.3
191.14322	76.3
192.14705	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1432
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
51.53972	2.7
53.03959	21.1
55.01857	3.4
55.05523	13.9
57.03426	4.2
57.07072	6.6
62.28162	3.0
66.24675	2.5
67.05507	22.0
69.03419	10.8
69.07070	34.2
69.20193	5.9
69.20594	22.0
74.45951	2.5
79.05499	59.2
80.34246	2.6
81.03423	44.6
81.07063	48.8
83.04977	14.1
83.08598	6.8
85.06517	2.6
91.05492	40.2
93.07048	55.2
95.04953	9.1
95.08619	31.8
97.06531	14.6
98.20745	5.2
103.05495	6.7
105.07043	70.9
106.06576	4.6
107.04987	13.6
107.08601	100.0
108.01552	3.1
109.06535	11.1
109.10167	19.6
111.08064	3.9
115.05472	4.3
117.07005	20.3
119.07282	2.9
119.08594	60.7
119.88776	2.4
121.06490	13.6
121.10143	47.5
123.08090	8.9
123.11726	4.5
129.07007	4.5
130.07814	4.2
131.04904	9.0
131.08577	77.1
132.95801	5.4
133.10147	44.6
135.08084	25.8
135.11743	14.5
143.08548	13.3
144.09303	4.7
145.06476	3.6
145.10135	46.8
147.11703	77.7
149.09619	10.1
149.13255	22.0
158.10905	19.5
161.13225	5.0
163.05872	4.1
163.07648	3.4
163.11142	3.7
163.14821	16.5
163.65070	2.7
173.13277	58.7
191.07022	6.8
191.10744	4.5
191.14317	90.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1432
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55868	2.7
53.03955	33.5
55.05517	16.9
57.07069	2.4
67.05515	17.0
69.03419	9.7
69.07075	34.5
70.05912	12.7
71.04981	6.7
75.09045	2.4
79.05074	3.8
79.05500	62.7
81.03425	62.0
81.07056	53.5
83.04984	14.4
83.08627	3.3
91.05486	41.2
93.07052	56.6
95.04967	9.6
95.08604	22.2
97.06506	6.6
103.05454	10.1
105.07041	57.7
106.06558	2.7
107.04972	7.6
107.08601	100.0
109.06538	12.3
109.10168	14.8
115.05447	4.9
117.07031	18.4
118.04095	2.7
119.06102	3.1
119.07814	3.5
119.08597	43.7
121.06532	15.0
121.10151	43.7
123.08041	5.6
123.11674	3.0
129.07022	5.6
130.07805	2.5
131.04944	6.3
131.08572	56.7
133.10141	46.8
135.08055	28.9
135.11743	17.7
143.08562	10.9
144.09346	4.8
145.06470	4.9
145.10138	38.1
147.11697	57.4
149.09644	13.7
149.13315	15.9
158.10927	15.3
160.05144	3.0
161.09689	5.0
163.03883	4.1
163.07530	7.0
163.11188	5.2
163.14809	16.8
173.09613	2.9
173.13269	54.8
191.03450	3.6
191.05354	3.6
191.06956	12.8
191.10654	8.4
191.14317	95.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1432
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84665	2.1
53.00151	2.1
53.03942	4.9
53.23717	2.0
55.01871	3.3
55.05499	9.3
55.86319	1.9
60.40058	2.1
64.22694	2.0
65.03925	3.9
67.05506	12.7
69.03432	38.9
69.07084	11.5
71.17721	2.8
73.36546	2.4
76.12914	2.2
77.03918	3.6
79.05498	63.0
81.03409	3.1
81.07063	62.5
83.04990	18.1
83.08609	4.8
85.06536	5.2
91.05486	32.1
93.07051	23.5
94.34624	1.8
95.04964	9.1
95.08607	16.5
97.06536	3.9
97.49651	2.4
103.05479	6.8
105.07037	30.3
107.04971	34.0
107.08601	85.2
107.59533	2.0
109.06535	8.4
109.10143	16.0
111.08031	2.7
117.06988	6.0
119.08572	12.1
121.05782	1.9
121.06488	12.1
121.10146	30.4
122.07294	3.3
123.08030	6.3
129.07033	3.0
131.04912	3.4
131.08572	23.5
133.09134	4.6
133.10136	82.6
135.08060	27.3
135.11742	7.8
136.08875	2.2
137.09642	19.9
143.08566	5.7
145.10147	15.4
147.11668	14.4
148.05234	4.3
149.09631	8.3
149.13266	21.0
158.10959	8.1
161.09746	4.0
163.07561	4.3
163.14810	7.3
173.13283	33.7
176.11975	2.5
191.07022	4.9
191.10661	5.6
191.14323	100.0
196.11061	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1433
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
50.29460	0.8
52.81543	0.7
53.03938	2.1
55.01878	4.9
55.05509	7.4
57.03436	1.8
57.07073	1.8
58.88987	0.8
59.04989	1.3
65.03941	2.5
66.04723	1.4
66.31799	0.7
67.05181	1.4
67.05511	19.3
69.03148	0.8
69.03439	10.4
69.07072	10.0
69.38463	7.1
70.42104	0.9
71.04129	0.7
71.04649	1.0
71.04999	9.3
77.03896	1.0
78.85510	0.7
79.05025	1.0
79.05489	16.8
81.03408	1.5
81.06597	0.9
81.07062	14.8
83.04984	5.3
83.08617	4.3
84.65376	0.8
85.06535	4.9
89.28142	0.8
91.05485	27.2
93.06480	1.6
93.07045	21.9
95.04977	12.2
95.08613	17.2
96.92059	0.8
97.06540	5.9
102.04713	1.1
103.05487	8.3
105.07040	38.7
107.04950	3.0
107.08604	38.5
109.05807	1.9
109.06529	34.5
109.10167	55.1
111.04417	1.3
111.08085	1.6
115.05450	3.8
116.06263	1.9
116.77059	0.9
117.07012	8.5
118.04147	3.0
119.04902	1.5
119.08588	18.7
121.06526	11.8
121.10154	27.0
122.07236	1.1
123.08075	14.8
129.07013	3.7
130.04164	1.8
130.07846	2.0
131.04958	4.9
131.08580	48.0
133.02870	1.3
133.06444	2.0
133.10143	75.9
134.10483	1.2
135.08064	73.2
135.11688	7.9
137.09644	1.3
143.08560	8.1
144.09320	3.0
145.06555	2.1
145.10124	21.4
147.08052	2.8
147.11696	8.9
148.05222	4.2
148.08803	2.8
149.09634	16.1
149.13258	9.5
150.10403	4.7
158.07254	1.5
158.10925	12.2
160.05057	2.8
161.06015	1.7
161.09573	6.1
163.07509	5.9
163.11191	5.1
163.14813	2.5
173.09680	5.1
173.13274	50.4
174.13589	1.4
176.04703	2.7
176.08342	2.9
176.12004	3.3
189.06975	1.2
190.07739	1.8
191.03336	2.8
191.07002	9.3
191.08578	9.9
191.10675	20.6
191.14319	100.0
192.06525	1.2
192.10228	0.9
192.14671	1.5
202.03865	0.9
202.27661	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1432
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
55.01868	2.4
55.05520	9.6
56.81639	1.8
57.07069	2.3
67.05516	9.9
69.03431	21.4
69.07074	10.1
69.35194	8.0
69.35617	7.8
71.04983	3.1
71.57817	1.7
79.05492	18.3
81.03374	2.0
81.07049	11.6
83.04965	6.1
83.08634	2.7
85.06539	3.9
89.85300	1.7
91.05488	16.1
93.07042	13.9
95.04968	4.5
95.08608	8.0
97.06509	2.9
103.05479	3.7
103.73775	1.8
105.07034	21.4
107.04939	7.5
107.08598	39.1
109.06520	13.5
109.09473	2.4
109.10172	26.6
117.07019	5.6
119.08569	10.7
121.06516	6.9
121.10162	23.0
123.08059	8.4
126.32771	1.9
129.07065	2.3
131.05002	1.9
131.08575	20.9
133.10136	100.0
135.08063	31.2
135.11737	7.0
137.09624	13.8
143.08563	7.0
145.10152	12.2
147.11661	11.1
148.05241	2.1
149.09647	9.6
149.13277	16.7
158.10922	7.7
161.09622	2.9
163.07553	2.4
163.14813	5.8
173.09683	2.1
173.13289	33.9
191.07233	2.2
191.10849	4.3
191.14320	72.1
204.41800	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1431
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31760	1.1
53.03947	1.7
55.01877	6.3
55.05499	4.1
55.40055	1.0
59.04987	1.3
67.05517	8.3
69.03436	8.9
69.06731	1.4
69.07070	18.4
69.17738	2.0
69.18132	9.6
71.05004	4.5
73.57072	1.0
79.05493	9.7
81.07058	8.2
83.04968	4.0
83.08607	2.6
85.06543	1.3
87.15405	1.0
91.05480	16.2
93.07053	18.5
95.04988	5.0
95.08611	8.0
97.06542	5.4
98.21539	2.0
103.05481	5.1
105.07037	22.5
107.04967	1.9
107.08600	30.6
109.06528	14.4
109.09511	1.1
109.10164	25.3
115.05448	3.2
117.07013	7.1
118.04166	2.3
119.07826	1.0
119.08596	11.6
121.06506	20.1
121.09333	1.6
121.10145	21.3
123.08090	7.4
129.07033	2.7
130.04176	1.9
130.07782	1.2
131.04938	8.9
131.08574	25.7
132.05708	4.7
133.06511	1.5
133.10135	21.8
135.08064	38.4
135.11678	6.6
137.09615	1.6
143.08566	5.4
144.09361	2.5
145.10135	18.0
147.04448	1.2
147.08066	2.4
147.11699	28.0
148.05196	2.8
149.09624	9.9
149.13269	19.0
158.10892	8.4
160.05144	1.2
161.09605	4.9
162.10315	1.2
162.21005	1.3
163.07568	3.9
163.11151	2.3
163.14838	4.7
173.09676	1.2
173.13271	28.8
176.04631	1.1
176.11964	4.2
177.05559	2.2
191.07060	5.2
191.10704	6.0
191.14313	100.0
192.07826	2.9
192.14624	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1432
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.2
55.01858	2.1
55.05505	5.6
57.03446	1.7
57.07070	2.6
60.69017	1.0
64.87220	1.1
67.05514	6.3
69.03441	10.9
69.07079	11.8
70.49894	2.3
71.04977	2.5
77.90801	1.3
79.05512	10.4
80.32223	1.3
81.03418	1.3
81.07065	12.7
83.04996	9.9
83.08627	5.0
83.69417	1.1
85.06527	3.8
91.05495	19.4
93.07047	19.0
95.04998	5.9
95.08083	1.2
95.08629	16.4
97.06548	7.6
98.39385	1.2
103.05476	9.9
105.07046	32.4
107.04964	7.6
107.08609	48.9
109.06502	7.8
109.10159	7.3
111.08077	3.1
115.05448	2.6
117.07034	5.1
119.08607	16.0
121.06512	15.5
121.09333	2.5
121.10156	32.8
123.08086	8.2
123.11747	1.3
129.07014	4.3
130.04135	2.9
130.07779	3.1
131.04990	7.7
131.08592	32.6
133.06558	1.4
133.10149	47.8
135.08078	20.4
135.11697	6.9
137.09671	1.9
143.08585	5.9
144.09398	2.2
145.06487	2.6
145.10143	24.8
147.08025	2.8
147.11725	14.5
148.05177	5.2
148.08841	1.4
149.05995	1.6
149.09642	16.9
149.13268	14.8
158.10928	10.7
159.08014	1.4
161.09648	2.2
163.07558	7.8
163.11198	3.9
163.14864	8.0
173.05983	2.5
173.09706	2.2
173.11780	1.9
173.13283	33.1
176.04716	3.1
176.12018	1.5
191.07008	7.4
191.10747	7.6
191.14337	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1433
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
53.55909	0.7
55.01860	0.9
55.05523	3.3
57.07093	1.0
67.05504	1.8
69.03439	10.4
69.07080	3.4
70.85481	1.4
72.63025	0.7
78.13081	0.7
79.05529	3.9
81.07058	2.8
82.10472	0.7
83.05006	7.8
83.08622	1.2
91.05482	4.1
93.07045	4.7
95.08617	2.0
97.06537	1.3
103.05482	1.7
105.07059	6.6
107.04949	1.3
107.08617	16.6
108.55304	0.7
109.06526	2.6
109.10165	1.4
117.07018	0.9
119.08598	6.1
121.06522	2.9
121.10175	10.5
123.11510	0.7
129.06992	1.2
131.04921	1.0
131.08595	8.4
133.10156	10.7
135.08072	9.5
135.11694	1.9
143.08562	2.6
144.09348	0.8
145.10147	4.9
147.11693	5.1
148.08852	1.1
149.09665	4.1
149.13289	4.1
158.10898	5.1
161.09688	4.3
163.07573	1.3
173.13283	13.3
176.11864	1.4
191.07016	2.1
191.14336	100.0
192.14716	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	190.1442
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55496	0.5
53.26534	0.6
54.40502	0.6
55.01869	2.3
55.05522	3.4
56.01408	1.1
56.05032	3.0
56.96302	1.2
56.96574	22.3
57.03445	3.6
57.07067	1.3
58.06604	7.7
59.04999	1.8
60.04535	1.3
60.08170	2.0
61.02917	2.3
65.03962	1.3
67.05511	5.2
69.03088	1.4
69.03437	17.7
69.07075	9.2
69.17565	0.7
69.52565	5.1
70.03789	1.1
70.06599	37.0
71.01350	2.8
71.05008	1.5
71.08646	0.9
72.08168	1.3
72.93791	1.1
73.02908	2.6
73.06584	0.7
74.02435	0.9
74.06104	1.2
74.97627	0.8
79.05498	2.7
81.03423	4.3
81.07076	2.1
82.03755	2.0
83.04993	1.6
84.04514	6.0
84.08152	13.8
84.96021	2.2
85.02916	9.2
85.06559	7.8
86.06078	21.9
86.09713	10.4
87.04480	5.3
87.10043	1.6
88.07646	1.1
89.00776	1.0
91.05484	2.5
93.07041	1.4
95.04986	1.6
95.08630	1.5
97.02353	1.0
97.02909	6.1
97.06451	0.6
97.10181	1.4
98.01301	0.8
98.06070	1.2
98.21420	0.9
98.97598	23.6
99.04463	0.8
100.99148	1.0
101.00792	1.1
102.09190	4.7
103.05479	3.9
104.07114	5.1
105.07030	1.6
106.02921	1.4
106.06564	1.0
107.04967	2.4
107.08607	1.4
109.02900	1.1
109.10151	1.2
110.01275	1.0
110.56576	0.6
110.97577	3.6
111.02074	1.0
111.04462	0.7
112.03931	1.6
112.07607	2.4
112.99138	2.8
113.02477	0.7
115.05453	1.0
116.05000	1.3
116.07085	8.1
116.98635	9.4
119.01836	2.5
119.04933	0.7
119.08597	0.9
120.02559	0.8
120.04446	0.7
120.08117	1.2
120.52798	0.7
121.02922	3.2
121.06568	1.5
121.10147	0.9
126.12806	33.7
127.03909	1.1
128.07086	0.8
128.98605	4.6
130.02890	0.7
130.04132	0.7
130.05011	2.8
130.08643	0.9
130.96342	1.0
131.00157	3.9
131.04964	3.2
131.08549	1.2
134.05989	1.6
134.09668	0.7
134.99670	3.0
135.07990	1.0
137.02361	2.2
137.05972	1.6
143.00220	1.2
144.04567	1.6
144.08092	3.0
144.10208	7.6
144.13852	100.0
145.06500	1.2
145.07603	1.1
145.10121	1.1
145.14154	1.0
146.99680	2.4
147.03154	1.0
148.09712	1.0
148.97440	1.8
149.01207	5.1
154.05093	1.1
154.08633	6.2
157.01671	0.7
158.99644	3.6
161.01158	1.3
162.05510	22.3
162.99133	0.8
163.05841	1.0
163.07487	1.5
167.02184	1.7
170.99690	1.0
172.07582	2.4
172.09700	11.1
172.13310	5.5
173.01259	0.9
173.06076	0.8
175.02771	0.9
176.04808	1.4
177.00772	3.1
185.01442	1.1
185.02921	4.4
186.99174	1.0
187.54175	0.8
189.00725	1.5
190.04953	8.8
190.06993	1.1
190.08612	6.6
190.10736	1.6
190.12469	1.8
190.14407	16.5
190.15778	0.7
191.07045	3.0
191.10526	1.0
191.14365	2.0
192.98076	1.3
203.04044	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	190.0501
Annotation	Kynurenic acid
Peak:m/z	Relative Intensity
61.41329	0.2
63.17238	0.3
64.20351	0.2
69.03427	0.3
69.69186	1.4
72.08169	0.3
81.07047	0.2
89.03922	1.2
91.05482	0.3
93.07033	0.3
105.07008	0.5
106.02947	0.3
106.07368	0.2
107.08601	0.2
113.01470	0.2
116.04987	3.5
117.07034	0.2
131.04968	0.5
134.06042	0.3
135.08092	0.3
144.04443	2.6
144.10226	0.2
157.09592	0.4
162.05518	100.0
163.05882	1.9
172.07605	0.4
175.11006	0.2
190.05008	33.6
190.08562	0.8
190.13055	0.4
191.05382	0.5
191.06995	0.4
191.14360	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	190.1263
Annotation	EPTC
Peak:m/z	Relative Intensity
50.99080	0.8
52.71175	0.4
55.05507	0.5
57.07081	26.6
59.99121	4.9
62.99091	0.7
67.05513	0.8
69.03428	0.5
69.25036	4.5
72.08148	0.5
78.00163	39.6
79.05505	1.1
81.03408	0.8
81.07048	0.7
82.03772	0.7
82.97742	0.4
84.08154	0.9
85.06540	0.6
86.09238	0.6
86.09721	11.3
88.02213	0.6
89.37992	0.4
91.05467	1.6
92.01715	1.2
93.07034	1.4
95.08608	0.8
97.75253	0.5
103.05451	1.4
105.07030	1.5
105.70808	0.5
106.02940	0.6
106.07361	0.8
107.08583	1.3
109.06521	0.5
109.10139	0.5
116.05309	1.0
118.04199	0.4
119.08594	1.1
120.08117	0.6
120.08913	0.8
121.06501	0.8
121.10101	0.8
127.93265	0.5
131.08601	0.7
133.10136	1.4
134.06369	51.8
134.10451	1.1
135.08075	1.2
145.06491	0.6
145.10184	0.7
147.04433	0.8
148.05200	0.5
148.07884	3.1
149.02376	1.1
160.40619	0.4
162.05428	0.9
163.07555	1.2
163.11212	0.6
172.07544	0.8
173.09645	0.5
173.13278	1.0
176.04703	0.6
190.06334	1.0
190.08804	2.0
190.12628	100.0
191.07002	1.1
191.08597	0.6
191.10716	1.6
191.12903	1.5
191.14447	2.8
203.97783	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1639
Annotation	(R)-1-Methyl-4-(1-methyl-5-hexenyl)-benzene
Peak:m/z	Relative Intensity
55.05513	16.5
62.16134	2.8
63.92969	2.5
66.03458	5.1
67.05503	17.2
69.03432	4.1
69.07071	14.7
70.96016	6.0
78.83378	2.2
79.02953	3.1
79.05489	6.2
80.51212	2.4
81.03421	18.2
81.07050	13.0
83.04986	2.7
83.08555	3.8
91.05475	18.0
93.07027	7.7
95.05044	2.4
95.08609	61.6
105.07035	47.7
107.06086	14.5
107.08618	17.7
109.10163	5.0
110.42371	2.4
111.23064	2.7
114.08607	2.5
117.07030	6.2
119.08584	89.3
120.05578	3.3
121.06522	4.1
121.07684	2.3
121.10117	8.8
122.07114	4.0
128.47565	2.6
129.07071	3.3
131.08569	17.5
133.10135	66.9
134.10942	3.0
145.06616	3.0
145.10124	14.1
146.10895	8.9
147.06667	4.7
147.11679	58.3
148.08656	18.1
149.02313	4.0
149.08189	4.3
149.09445	3.9
156.09285	4.7
159.11739	6.0
160.12419	6.5
161.13303	12.7
162.10310	2.9
171.11664	3.2
174.06848	3.2
174.10484	3.0
174.14027	4.3
189.09047	20.6
189.11310	14.5
189.12549	6.6
189.14128	19.4
189.16388	100.0
189.36212	2.5
190.10849	6.4
202.52704	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	190.0351
Annotation	Unknow
Peak:m/z	Relative Intensity
54.67352	0.2
56.96568	3.8
57.07062	0.9
58.99867	0.6
70.63206	0.6
70.63567	0.5
71.95268	0.4
72.08137	0.2
76.96918	0.3
81.03414	0.4
82.01452	0.3
85.01407	0.4
97.01394	0.5
98.97594	10.2
99.81002	0.2
99.97922	0.3
100.02493	0.6
101.00885	0.8
103.02438	0.7
104.02536	0.4
111.02894	0.6
112.99149	0.3
114.04243	0.2
115.02431	0.9
116.98628	6.6
118.03545	0.3
118.84076	0.3
119.01932	2.1
120.02004	1.1
121.01456	0.4
121.42910	0.3
127.02385	0.4
129.03972	1.1
130.04115	0.3
130.96365	0.3
131.00185	1.2
133.03438	0.3
134.01561	0.3
134.99684	2.3
137.02927	0.3
137.35680	0.3
139.02397	1.2
139.50980	0.3
141.03938	0.3
142.03522	0.9
144.05077	0.9
145.03471	1.0
148.05124	0.3
148.51468	0.3
149.01108	2.7
151.01801	0.4
151.51631	0.4
153.00676	0.3
153.10165	0.3
157.03479	3.5
159.05009	0.4
160.02223	0.3
162.02942	0.3
163.04498	0.3
167.01912	14.0
167.59738	0.6
168.02165	0.4
168.05074	0.7
172.02899	0.5
172.04527	0.4
175.04564	0.3
177.00967	0.7
179.10484	0.5
183.19600	0.3
185.02969	100.0
186.03133	3.3
187.03358	0.3
190.03694	1.6
190.06187	0.4
190.08690	0.6
190.12288	0.4
195.98260	0.6
203.04028	13.0
204.04227	0.3
208.04562	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	189.1641
Annotation	(R)-1-Methyl-4-(1-methyl-5-hexenyl)-benzene
Peak:m/z	Relative Intensity
53.03960	0.8
55.05519	9.2
57.07080	1.8
62.34777	0.8
62.58358	0.8
66.03470	1.0
67.05515	9.0
67.83215	0.7
69.07081	14.1
69.48003	5.2
79.05509	4.0
80.05023	0.9
81.03426	2.5
81.07072	11.6
82.19016	0.8
83.08633	4.7
85.34956	0.9
91.05496	12.1
92.73011	0.8
93.07062	6.3
95.08623	56.8
105.07050	38.9
107.06087	1.9
107.08613	14.4
108.05595	1.0
109.10190	7.6
117.07041	2.8
119.08601	77.3
120.08929	1.0
121.10165	8.2
122.07175	1.0
126.48817	0.8
129.07976	0.9
131.08577	9.3
133.10156	55.8
134.11061	0.9
145.10165	12.0
146.10962	5.4
147.11713	44.7
148.08678	2.0
149.08281	1.7
159.11710	4.4
160.12576	4.8
161.13300	8.2
174.14053	2.9
189.09155	4.8
189.11356	2.0
189.13850	2.6
189.16414	100.0
190.10825	1.0
190.16772	2.2
208.27284	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1277
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	2.5
61.25765	1.3
67.05511	1.8
69.03424	4.5
69.48468	11.0
79.05505	1.4
81.07051	2.5
83.04957	1.4
87.19803	1.5
91.05490	8.0
93.07063	2.7
95.04944	2.1
95.08634	2.2
105.07059	16.8
107.08617	4.0
117.07040	4.5
119.04945	1.5
119.07820	2.0
119.08610	33.0
121.10167	1.5
128.06218	3.9
129.07004	4.1
130.07813	3.3
131.08607	8.9
133.06511	2.1
133.10141	11.7
135.08075	2.6
140.75829	1.4
141.07011	9.6
142.07849	1.4
143.08586	9.0
144.09377	3.0
145.06509	2.8
145.10136	13.3
147.08055	12.6
147.11714	19.0
155.08563	1.8
156.09378	54.5
159.08087	13.0
159.11716	10.6
160.08836	4.1
161.09639	5.1
161.13284	11.1
171.11725	60.9
174.10449	18.3
189.09178	3.0
189.12781	100.0
190.13103	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1275
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93729	1.3
55.05509	3.1
57.03421	1.3
67.05495	2.3
69.03435	6.5
69.07063	2.4
69.15314	13.4
69.15719	2.1
79.05483	2.8
81.03416	2.8
81.07042	4.0
83.04996	1.8
91.05485	12.8
93.07048	2.5
95.04964	3.1
95.08608	2.3
105.07056	21.0
107.04903	1.2
107.08595	4.9
109.06519	1.8
115.05464	2.8
117.06995	5.5
119.04961	1.2
119.08596	29.9
120.08898	1.5
121.06471	2.6
121.10159	3.6
128.06238	5.3
129.07007	5.5
130.07784	4.9
131.08572	8.9
132.09325	1.8
133.06509	3.4
133.10129	16.2
135.08064	1.9
141.07021	5.5
142.07759	1.4
143.08553	5.7
144.09282	2.0
145.06471	1.9
145.10127	17.8
146.07156	1.4
146.10910	1.9
147.08055	13.6
147.11710	24.8
155.08621	1.8
156.09366	45.3
157.09665	1.8
159.08102	12.8
159.11720	11.1
160.08907	4.5
161.05969	3.0
161.09639	7.8
161.13245	13.2
171.11700	47.5
174.10431	21.3
189.05435	1.6
189.09242	6.8
189.12769	100.0
189.16397	4.9
190.06340	1.4
190.13057	1.3
193.74628	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1275
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.5
55.01863	2.1
55.05512	4.6
57.03434	1.1
57.07066	1.8
67.05499	3.8
69.03416	3.6
69.07053	4.9
71.04620	1.1
71.04952	1.9
74.03285	1.0
79.05507	5.6
81.03407	2.9
81.07063	8.5
83.04971	4.2
83.08620	1.2
91.05490	14.6
93.07058	5.7
95.04987	2.0
95.08617	4.6
97.06556	1.0
105.07037	29.6
107.04942	3.1
107.08605	4.9
109.06490	3.0
115.05475	2.5
117.07021	5.7
119.04972	2.1
119.08585	42.2
121.06478	2.6
121.10138	5.3
128.06221	9.9
129.07021	11.0
130.07765	3.3
131.04890	1.7
131.08582	8.8
133.06471	7.6
133.10136	44.8
135.08063	6.1
141.06993	8.3
142.07610	1.3
143.08577	9.1
144.09328	1.8
145.06468	5.8
145.10123	10.1
146.07256	3.0
146.10898	1.5
147.08063	22.1
147.11691	26.9
149.09630	3.4
155.06088	1.6
155.08527	2.6
156.09355	44.5
157.06490	2.8
157.09749	1.9
158.07251	2.7
159.04472	1.1
159.08066	30.5
159.11722	10.0
160.08875	7.3
161.06010	1.6
161.09648	11.7
161.13257	20.1
171.06326	1.5
171.08038	1.8
171.11697	36.8
171.13185	2.1
173.09579	1.9
174.06802	9.5
174.10408	58.4
175.10846	1.7
187.11293	1.4
189.05495	1.5
189.09166	16.3
189.12755	100.0
189.16345	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	189.1278
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.4
55.05527	6.3
67.05498	3.9
69.03440	14.8
69.07076	4.1
70.18679	5.1
79.05489	6.9
81.03418	4.4
81.07057	7.9
83.04990	2.2
91.05493	18.8
93.07044	8.8
95.04979	3.1
95.08633	7.3
98.21493	1.5
103.05468	2.4
105.07046	42.5
107.08640	7.2
109.06540	1.7
109.10155	3.0
115.05444	2.6
117.07034	9.0
119.04956	4.8
119.08603	57.7
121.06480	1.6
121.10152	3.3
128.06218	7.6
129.07022	9.5
130.07790	3.3
131.08591	12.6
133.06525	6.4
133.10149	27.7
135.08067	5.9
141.07010	9.0
142.07802	3.0
143.08568	15.8
145.06499	3.3
145.10143	17.7
146.07245	3.4
146.10915	2.9
147.08072	20.0
147.11710	33.5
148.80801	1.2
150.31346	1.2
155.08559	3.5
156.09378	40.4
157.06435	1.6
159.08052	8.2
159.11754	9.7
160.08871	5.0
160.11015	1.2
161.05977	3.5
161.09657	10.2
161.13266	22.1
171.07976	1.6
171.11711	46.3
174.06804	3.4
174.10446	14.6
185.83162	1.5
189.05457	2.3
189.09207	10.6
189.12773	100.0
189.16347	14.4
190.13220	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0708
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54992	0.3
60.04538	0.4
69.69460	1.4
81.03410	0.4
83.04993	0.6
84.04515	3.2
85.02908	0.5
90.55331	0.3
91.05486	5.0
95.16829	0.4
98.20760	0.6
101.69024	0.4
103.05503	0.8
115.05455	6.5
117.05772	1.6
117.07020	5.0
118.06549	75.2
119.06888	1.1
128.05006	0.7
128.06183	0.5
132.08087	0.6
142.06537	6.2
142.08640	0.5
143.07318	12.9
144.04463	1.1
144.08095	24.8
146.06018	100.0
147.06345	1.6
155.06039	1.3
160.07608	1.3
170.06024	8.6
188.07082	20.8
197.77209	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0708
Annotation	N-Methylquinolinium-2-carboxylate
Peak:m/z	Relative Intensity
53.16136	0.3
56.23339	0.4
69.94248	0.9
69.94639	0.9
84.04514	1.2
91.05483	5.1
103.05460	0.6
104.19914	0.3
107.57329	0.5
115.05460	6.9
117.05769	1.6
117.07014	5.2
118.06547	72.6
119.06874	1.2
127.05432	0.5
128.04947	0.5
132.08119	0.8
142.06537	6.3
143.07317	13.1
144.04393	0.9
144.08095	25.4
145.06421	0.8
145.08409	0.4
146.06015	100.0
147.06375	1.3
155.06044	1.2
160.07549	0.7
170.06012	9.0
184.31430	0.4
188.07074	20.0
189.07410	0.7
205.64011	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1275
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.3
55.05501	4.0
57.07047	1.3
58.54101	1.0
62.74371	1.2
65.03951	1.0
67.04610	1.0
67.05505	2.5
68.07607	1.0
69.03442	6.2
69.07089	2.1
71.01540	2.2
71.04976	1.5
72.08133	1.6
79.05479	3.3
81.03417	4.3
81.07050	4.4
83.04966	1.4
86.14671	0.9
91.05482	11.3
93.07040	3.8
95.05006	1.7
95.08635	5.1
103.05476	1.4
105.07046	25.2
107.08579	5.2
109.06480	1.3
109.10154	1.1
112.37165	1.0
115.05463	3.8
116.06167	1.2
117.07048	6.5
119.04970	2.1
119.08588	33.6
121.06506	2.3
121.10160	1.5
128.06232	7.0
129.06998	7.3
130.07785	4.6
131.04915	1.2
131.08582	11.9
133.06509	2.8
133.10146	17.0
141.06992	10.8
143.08568	10.5
144.09348	3.5
145.06496	2.3
145.10138	21.3
146.07321	1.2
146.10892	1.8
147.08043	11.3
147.10527	1.1
147.11700	21.0
155.08548	2.8
156.09358	59.2
157.06522	1.8
157.09811	1.4
159.08075	7.0
159.11682	13.8
160.08807	1.8
161.05956	2.3
161.09654	7.6
161.13261	6.4
171.11703	77.8
172.12004	2.2
174.06763	3.4
174.10408	11.2
189.05476	2.9
189.09190	8.2
189.12761	100.0
189.16338	8.7
190.13176	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.1482
Annotation	3,6-Dihydrochamazulene
Peak:m/z	Relative Intensity
53.03926	1.2
54.04369	0.9
55.05507	4.4
56.96567	5.5
57.07084	6.8
67.05510	10.7
69.03420	3.5
69.07065	3.9
69.52013	6.5
70.98103	1.8
72.08146	1.0
79.05499	8.3
81.03422	4.8
81.07069	7.4
82.06582	1.8
83.08611	2.9
84.04509	3.0
85.02891	2.0
85.04836	1.0
88.02223	9.5
88.40007	0.8
91.05489	25.1
93.07056	8.5
95.08599	4.0
97.02913	0.9
97.99161	1.3
98.20670	1.5
99.04444	1.1
105.07045	23.1
107.08605	5.2
109.02892	1.3
109.10120	1.9
110.06020	1.0
110.59004	0.8
111.04458	1.6
115.05418	4.5
116.00242	1.1
116.03092	1.6
116.06232	2.2
117.07018	20.5
119.08589	20.0
121.10152	4.1
128.07080	1.5
129.06993	5.0
130.07779	5.8
131.04958	2.5
131.08580	60.4
133.10114	4.1
141.07060	1.7
143.08524	5.0
144.09299	2.2
145.10135	99.6
146.08151	1.3
157.10095	1.0
158.10945	1.5
159.06996	3.2
159.08121	1.9
159.11710	16.4
181.12305	1.1
185.13199	1.9
187.03854	5.7
187.07585	2.1
187.11316	5.7
187.14835	100.0
187.22572	1.8
188.09143	1.5
188.15178	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	187.1481
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.3
53.51426	1.0
55.05503	3.3
57.07085	5.4
58.39964	0.9
58.87448	0.9
67.05509	12.3
69.03421	3.3
69.07058	3.2
71.51637	1.2
75.23000	0.8
77.03978	1.2
79.05502	8.0
81.03420	4.5
81.07066	7.1
82.06570	2.7
83.05006	1.2
83.08621	4.6
84.04492	3.4
85.02921	1.7
87.04436	1.0
88.02216	10.9
91.05481	24.8
93.07053	7.0
95.04969	0.9
95.08598	4.2
96.08091	0.9
97.02924	1.2
99.04486	1.0
101.09087	1.2
105.03370	1.2
105.07029	21.4
107.08580	3.8
109.02888	1.0
115.05470	3.8
116.06232	2.1
117.07017	21.0
119.08582	19.6
119.45588	1.0
121.10127	3.9
123.90469	0.9
128.06238	1.5
128.07126	2.3
129.07007	4.9
130.07785	5.1
131.04907	3.2
131.08569	63.1
133.10103	3.0
143.08563	6.0
144.09367	1.8
145.10123	100.0
146.10542	1.9
157.10161	2.3
158.10936	1.7
159.06979	2.1
159.11696	15.2
172.12392	1.7
173.00899	1.1
187.03941	4.7
187.07663	1.7
187.11206	4.4
187.14825	95.4
187.22534	2.2
188.09151	2.1
188.15115	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.1482
Annotation	3,6-Dihydrochamazulene
Peak:m/z	Relative Intensity
50.85367	0.5
51.55998	0.5
53.03954	1.3
55.05512	1.5
57.07077	3.9
67.05507	2.9
69.03447	0.5
69.07088	4.4
71.05009	3.5
71.40775	1.1
79.05495	5.5
81.07061	20.5
83.04983	1.0
84.45675	0.5
91.05474	5.4
93.07067	2.4
95.04982	0.6
95.08618	1.8
97.06544	0.8
99.08089	1.0
103.05417	0.5
105.07034	11.1
105.07691	0.8
106.39460	0.6
107.08596	4.2
107.68262	0.5
109.06509	0.7
109.10164	2.6
111.11733	1.2
111.18327	0.5
115.05453	1.6
116.06188	0.5
117.07018	7.3
119.08594	8.9
119.09409	0.4
123.11701	2.9
128.06192	1.3
129.07027	3.1
129.07832	0.5
130.07784	7.2
131.08577	12.5
133.10158	2.5
139.11211	1.2
141.07050	0.7
142.07794	0.9
143.08577	10.6
144.05637	0.6
144.09343	3.2
145.10130	100.0
146.10490	1.8
151.11147	1.2
157.10129	9.2
158.10925	5.0
159.08028	0.6
159.11702	12.7
169.12326	0.6
170.10933	0.9
172.08873	0.9
172.12480	8.7
187.07512	1.9
187.11215	2.0
187.14822	47.1
188.15178	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.1482
Annotation	3,6-Dihydrochamazulene
Peak:m/z	Relative Intensity
52.32244	0.5
53.03949	1.2
55.05518	2.3
56.92425	0.5
57.07080	6.2
64.86879	0.6
67.05512	10.9
68.76774	0.6
69.03433	1.6
69.07072	4.8
71.51610	1.1
77.03981	0.6
79.05507	8.0
81.03442	2.0
81.07063	6.5
82.06590	1.4
83.08633	2.2
84.04506	1.7
85.02921	0.7
88.02232	5.5
91.05494	22.0
93.07051	7.9
95.04985	0.9
95.08607	4.1
103.05477	0.6
105.07040	23.4
107.08593	3.2
113.08014	0.7
115.05478	2.3
116.06246	2.0
117.07025	23.2
118.64133	0.6
119.08591	18.9
121.10156	3.4
126.92882	0.6
128.06168	0.7
128.07076	1.2
129.07039	5.0
130.07820	5.4
131.04933	1.6
131.08577	66.0
132.08900	1.1
133.10143	5.1
141.07118	0.6
143.08585	4.5
144.09338	2.3
144.67700	0.6
145.06483	1.6
145.10133	100.0
146.10452	1.9
157.10120	1.8
158.10909	1.3
159.06982	1.1
159.08160	1.2
159.11703	16.6
169.05057	0.7
169.10197	1.1
172.08853	1.2
172.12541	1.5
185.13278	1.5
185.27542	0.6
187.03915	2.7
187.07660	1.1
187.11310	4.8
187.14832	96.8
187.22372	1.0
188.15240	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	187.1483
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.5
55.05500	6.1
55.70570	1.4
57.03442	2.2
57.07066	4.7
58.06600	1.5
59.04996	1.9
67.05515	6.9
67.57901	1.3
69.03419	1.6
69.06800	1.2
69.07079	15.8
69.43781	2.2
69.44186	8.2
70.06587	4.8
71.04994	20.8
71.06939	1.8
72.08145	2.1
79.05060	2.0
79.05495	18.4
81.03426	2.5
81.07061	73.9
83.04987	4.6
83.08604	2.2
84.08150	12.6
85.02918	2.7
85.06535	1.5
86.09705	6.5
88.02233	3.3
91.05480	15.1
93.07063	7.4
95.04969	2.1
95.08614	5.6
97.06512	4.6
98.96186	1.4
98.97587	1.7
99.08102	4.5
103.05452	1.4
105.07040	14.6
107.08591	11.5
108.47372	1.2
109.06519	4.0
109.10165	14.8
109.36411	1.2
111.08075	2.6
111.11720	6.1
115.05423	6.4
116.06196	2.0
117.07030	11.8
119.08601	11.8
123.11715	12.6
125.09633	1.7
127.03923	3.5
128.06229	2.9
129.07030	9.7
129.10229	2.2
130.07819	7.4
131.08582	28.4
133.10104	3.7
135.78513	1.3
139.11177	5.8
141.07031	4.6
142.07738	1.6
143.08554	10.3
144.05721	20.9
144.09335	7.2
145.06523	2.4
145.10133	100.0
151.11205	7.8
155.03349	1.9
157.10153	8.5
157.12225	2.1
158.10921	6.3
159.08072	8.5
159.11700	26.3
169.10182	3.0
169.12186	3.1
170.10765	1.5
172.05191	12.8
172.08830	6.7
172.12497	8.4
187.03934	4.5
187.05893	3.2
187.07549	44.7
187.11165	16.9
187.14833	59.5
191.42540	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.1332
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03971	1.0
55.05515	3.1
57.07078	3.8
59.05022	1.1
65.03947	1.1
67.05531	4.3
69.03429	1.3
69.07081	9.3
70.83549	1.5
70.83882	1.0
71.05009	9.8
79.05513	10.7
81.07069	46.9
82.07412	1.0
83.04995	2.0
83.08616	1.0
85.06566	0.7
85.60033	0.7
87.08125	1.0
91.05499	7.5
93.07063	4.2
95.05001	1.0
95.08591	1.7
97.06556	2.8
99.08118	2.5
105.07054	12.4
107.08607	6.9
109.06562	1.7
109.10181	8.6
111.08091	1.2
111.11768	2.9
114.40588	0.6
115.05459	1.3
117.07030	6.2
119.08604	10.3
121.10177	1.5
123.08165	0.9
123.11740	7.4
128.06241	2.2
129.07030	3.4
130.07822	6.6
131.04977	0.9
131.08597	12.4
133.10178	3.0
139.11235	3.9
140.22083	0.8
141.07056	1.3
143.08577	9.7
144.05795	1.0
144.09341	3.4
145.10149	100.0
146.10527	2.0
148.17598	0.8
151.11215	3.3
157.10164	8.7
157.12244	1.1
158.10941	4.9
159.08136	1.5
159.11725	14.5
169.12256	1.4
171.11928	0.8
172.05168	1.0
172.08937	1.3
172.12486	8.0
173.19547	0.8
179.76350	0.8
187.03951	0.8
187.07591	2.7
187.11235	2.8
187.14853	48.1
188.15189	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.1121
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02400	0.7
53.00303	0.7
53.03943	2.2
55.01883	1.1
55.05515	3.7
57.03421	1.0
57.07077	1.7
60.57106	0.6
63.42052	0.6
65.03933	1.2
67.05517	7.9
69.03440	6.8
69.07085	1.4
69.63438	4.6
77.03905	0.7
79.05502	10.4
81.03423	3.5
81.07072	8.4
83.08645	1.1
84.04516	1.3
85.02903	2.4
87.60845	0.7
88.02211	3.0
91.05495	22.2
93.07058	8.6
95.04978	6.5
95.08604	2.1
98.21410	0.9
99.00829	4.2
103.05463	2.4
105.03393	2.0
105.07046	31.4
107.04958	3.5
107.08603	2.3
109.02850	0.9
109.06514	1.3
115.05465	9.5
116.06293	3.5
117.07036	21.3
119.04956	1.8
119.08598	9.8
121.06509	2.8
128.06238	8.1
129.07028	19.1
130.07805	11.0
131.04947	4.0
131.08586	41.5
133.06480	3.5
141.07013	11.2
142.07799	3.4
143.04936	1.0
143.08568	11.8
144.05724	7.0
144.09369	15.0
145.06505	19.4
145.10146	50.9
146.07263	2.4
147.08012	1.0
153.07030	2.6
154.07784	11.0
155.06050	1.7
157.06532	4.3
157.10172	6.1
158.07289	13.2
158.10966	1.6
159.07083	0.7
159.08086	22.1
159.11714	47.7
167.08635	1.0
168.09421	0.9
169.06418	0.7
169.08748	1.4
169.10156	27.7
171.08064	1.4
172.05244	3.2
172.08861	23.8
172.12503	2.9
187.03961	3.0
187.07622	16.7
187.11209	100.0
187.14807	21.3
188.11571	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.1331
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25930	1.6
53.03947	5.0
54.31034	1.5
55.01871	2.2
55.05504	7.6
56.05009	2.7
57.07079	4.5
59.04994	2.3
67.05512	12.1
69.03426	6.4
69.07072	25.0
70.06587	7.6
70.06950	1.8
71.01369	1.9
71.04992	17.9
71.06929	3.7
71.18189	2.5
71.18522	3.3
72.08160	4.0
73.06569	1.6
79.05495	25.8
81.03410	4.6
81.07063	100.0
83.04978	6.2
83.08634	3.2
84.04522	4.1
84.08156	20.0
85.02893	2.7
85.06532	2.7
86.09713	12.8
88.02216	5.2
91.05494	16.3
91.51735	1.8
93.07049	11.1
95.05026	3.2
95.08618	9.2
97.06522	5.5
97.10114	2.3
99.04458	2.7
99.08096	4.2
103.05436	2.2
105.07036	17.7
107.08591	16.6
108.28544	1.8
109.06541	4.3
109.10168	19.6
111.08084	2.8
111.11710	7.5
113.06046	2.0
115.05448	8.6
116.06240	4.7
116.37683	1.7
117.07015	14.3
119.08588	11.8
121.10112	3.3
123.08033	2.2
123.11730	17.9
125.09648	2.0
127.03918	6.9
127.07531	2.6
128.06252	3.2
129.06999	9.5
129.10214	2.4
130.07780	7.5
131.04918	7.2
131.07019	1.6
131.08586	38.0
133.10135	5.5
139.11183	9.0
141.05504	2.2
141.07011	8.0
143.08582	10.5
144.05714	28.8
144.09402	9.1
145.06493	3.3
145.10135	85.9
151.11201	9.3
154.07813	2.6
155.03398	2.4
155.06001	4.1
157.06523	2.4
157.10152	7.8
157.12225	2.3
158.07242	2.9
158.10918	4.9
159.07027	2.1
159.08109	14.4
159.11713	26.7
169.10155	5.0
169.12285	4.4
172.05194	21.4
172.08842	13.2
172.12505	4.9
187.02362	2.8
187.03918	8.7
187.05869	3.8
187.07565	63.4
187.11180	28.4
187.14827	51.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.112
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.2
55.01864	2.1
55.05515	4.1
57.03439	0.9
57.07062	1.2
61.02934	0.9
63.09614	0.7
65.03938	1.7
67.05244	0.6
67.05511	6.9
69.03432	6.6
69.07053	1.1
71.04990	0.8
71.52085	0.8
79.05075	1.0
79.05494	11.4
81.03427	3.4
81.07065	6.7
81.07497	1.2
83.04977	0.9
83.08592	1.2
84.04503	1.7
85.02881	1.2
86.76549	0.6
88.02231	3.6
89.78897	0.7
91.05488	21.3
93.07053	9.1
95.04982	7.3
95.08602	1.3
99.00823	3.9
103.05470	3.8
105.03386	2.1
105.07040	30.9
107.04955	5.0
107.08611	1.7
109.02890	1.0
109.06514	1.7
115.05454	8.7
116.06254	4.2
117.06249	1.5
117.07028	23.8
119.04937	2.7
119.08591	11.3
121.06542	3.9
127.03912	0.7
127.05492	0.7
128.06227	8.6
129.07010	20.3
130.07803	10.2
131.04927	3.7
131.08575	43.8
133.06509	4.0
133.10132	2.1
141.06989	12.4
142.07788	3.4
143.08577	12.6
144.05717	10.0
144.09340	16.2
145.06493	21.8
145.10136	56.4
146.07314	1.3
153.06981	2.6
154.07779	12.8
155.06032	2.0
156.05711	0.9
157.06526	5.6
157.10138	6.4
158.07289	13.6
158.10883	2.2
159.08073	24.5
159.11699	46.8
167.08618	1.3
169.07790	1.3
169.10135	30.4
169.11581	1.5
171.08028	1.4
172.05237	2.1
172.08836	25.6
172.12439	1.6
187.03928	2.8
187.07602	17.9
187.11191	100.0
187.14789	23.9
188.11485	1.2
198.71448	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.1081
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42009	0.7
53.03944	2.9
55.01882	10.1
55.05519	11.1
56.05038	1.8
56.96564	4.7
57.03446	4.5
57.07082	1.6
58.06598	1.1
60.04528	1.0
61.02927	1.1
65.03944	1.6
67.05183	0.5
67.05510	12.7
67.20699	0.6
68.89281	0.6
68.99795	2.6
69.03445	8.4
69.07068	2.3
69.98965	0.6
70.06609	5.0
70.98067	0.7
71.01362	1.9
71.05000	4.4
71.06921	1.0
71.50250	0.7
71.50660	0.8
72.08157	6.6
72.93797	1.0
73.02919	2.1
79.05503	11.3
81.03434	8.7
81.07068	37.6
81.69504	0.6
82.06576	2.2
83.04993	6.9
83.08631	16.4
84.04527	6.0
84.08154	5.6
85.02920	7.9
85.06552	7.3
86.09699	1.3
87.04475	1.5
88.02240	5.5
91.05491	7.0
93.07048	2.7
95.01339	10.8
95.04991	6.7
95.08618	8.1
96.08134	1.2
97.02905	4.1
97.06532	1.8
98.09705	24.9
98.97597	8.1
99.04452	4.7
99.08100	1.8
100.07587	1.2
101.00876	0.8
101.02389	0.7
103.03947	2.2
103.05486	1.0
105.07059	10.8
107.04948	2.1
107.08602	3.4
108.08146	5.0
109.02897	3.7
109.06544	8.3
109.10197	1.3
110.06055	1.7
110.97583	1.7
111.04459	1.7
113.02381	8.2
113.06027	4.2
115.05471	5.2
116.06274	1.0
116.98649	3.3
117.05650	0.8
117.07018	3.2
118.06567	2.0
119.01860	2.0
119.04919	0.8
119.08570	2.0
121.00823	1.1
123.04478	1.1
123.08078	7.8
123.11727	1.2
124.07584	1.3
125.06030	1.6
125.07067	0.7
125.09606	0.9
126.09170	40.4
127.03932	9.1
127.07566	2.4
127.09462	0.7
127.12303	1.0
128.02304	0.8
128.06245	1.4
128.98608	1.5
129.07033	3.1
130.07814	0.9
131.04936	4.9
131.08595	7.0
133.06502	2.7
134.99677	1.4
139.07600	0.7
140.02196	1.1
141.05521	3.1
141.07024	2.6
141.14659	0.7
142.08698	1.7
143.04947	1.8
143.08611	2.0
144.05734	4.1
144.09267	1.3
145.06503	2.8
145.10135	16.2
145.11285	0.8
146.06030	1.9
146.99625	1.0
151.07541	7.7
151.08702	8.2
155.03410	5.3
157.10143	1.8
157.26128	0.7
158.07280	1.0
158.99712	3.1
159.04446	1.2
159.06996	1.5
159.08081	4.6
159.11737	6.8
163.01747	0.8
164.02135	1.3
169.04997	2.6
169.09760	100.0
170.10127	1.7
170.11681	0.9
172.05186	2.8
172.08871	3.4
172.12469	1.3
173.00861	1.1
175.04451	1.8
177.00729	2.4
181.02937	1.3
182.03214	1.6
186.92285	0.8
187.02551	1.1
187.03946	10.4
187.06047	1.8
187.07629	9.3
187.09499	3.4
187.10985	12.7
187.14836	9.6
188.09134	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.0811
Annotation	UNII-Z02B4Y02FV
Peak:m/z	Relative Intensity
50.66911	0.7
52.03186	0.7
53.03942	1.0
55.01872	2.2
55.05517	5.7
56.96562	0.8
57.03438	2.0
65.03939	2.3
67.05509	4.9
68.99783	1.9
69.03435	2.6
69.07082	5.1
70.06590	4.9
70.07397	2.2
71.01386	1.0
71.04990	2.6
71.50805	1.4
72.08159	1.9
73.02903	1.1
75.04475	2.4
79.01857	2.1
79.05488	6.5
81.03407	1.4
81.07077	6.7
81.42391	0.8
82.04199	2.3
83.04983	3.7
83.08607	1.0
85.02920	8.2
85.06543	2.2
86.09709	1.2
91.05493	3.9
93.03416	2.2
93.07055	7.2
95.01342	8.0
95.04976	3.5
95.08600	3.7
97.02879	1.1
97.06570	4.0
98.97602	3.5
99.04456	2.3
102.25097	0.7
105.07021	3.8
107.01306	1.1
107.04967	1.4
107.08617	4.7
108.89571	0.8
109.02891	2.2
109.06546	2.2
109.10137	1.6
110.03675	29.1
111.04457	6.9
111.08140	3.8
111.10030	1.4
115.05432	1.2
116.98666	1.0
117.07104	1.0
119.08573	0.9
121.00781	1.4
121.06531	2.1
121.10149	4.3
123.04433	2.7
123.08099	1.8
123.11698	1.3
124.05173	1.0
125.02412	1.3
125.06008	93.0
125.09637	3.8
126.06363	1.1
127.03950	6.9
128.06224	4.4
129.07019	8.4
131.08604	2.1
135.04456	1.3
138.03145	1.1
139.03914	21.5
139.07533	2.4
139.09485	2.0
139.11172	3.3
141.06993	2.7
142.07794	8.3
143.08575	15.0
149.09636	1.8
153.05484	100.0
154.06268	43.1
155.03400	3.6
155.07051	1.3
155.08549	4.5
156.09331	3.8
157.06430	1.0
157.10132	11.8
158.03484	0.8
158.10603	0.8
163.01871	1.5
167.07019	2.6
167.09084	1.2
167.10716	3.1
167.14195	0.8
170.05783	7.1
170.10951	12.7
181.03000	1.3
185.02896	1.6
185.04501	5.7
185.08154	25.4
185.09779	3.8
185.11765	1.2
185.13261	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	184.097
Annotation	(S)-adrenaline
Peak:m/z	Relative Intensity
55.01875	2.1
55.05508	1.0
55.67262	0.7
60.04529	1.5
67.05505	3.3
69.07072	14.5
70.51903	1.8
70.52238	0.9
72.08138	1.1
79.05494	3.2
80.05026	0.9
81.03407	0.7
81.05798	1.4
81.07076	1.3
82.06591	2.4
85.02868	0.7
86.02415	1.1
91.05488	5.0
93.07058	12.3
94.06567	8.7
95.04966	2.2
95.07361	13.4
95.08604	12.6
96.04501	1.2
96.05293	1.1
96.08138	21.2
97.06538	3.1
103.05490	1.8
106.44341	0.8
108.08119	11.5
109.08897	2.3
110.03622	1.1
110.06064	5.3
110.09691	46.3
111.04486	0.9
111.06805	0.7
117.27390	0.8
119.01938	1.3
120.08120	26.2
120.08960	1.7
121.06545	4.6
123.06844	1.7
124.07607	7.4
125.06021	4.1
135.06740	1.2
136.07590	3.0
138.03708	1.5
138.09151	100.0
139.09479	1.7
140.07079	1.7
143.08577	1.1
148.07629	5.1
149.06000	1.6
153.05490	3.4
154.05061	1.0
154.06255	1.0
157.10246	0.8
166.08653	86.9
167.08992	1.9
170.10869	0.9
172.56375	0.9
184.04260	1.5
184.07919	1.3
184.09712	37.5
185.13220	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.0811
Annotation	2,4,6-Trimethoxyphenol
Peak:m/z	Relative Intensity
50.70678	0.5
53.47879	0.6
54.03994	0.5
55.01872	1.3
55.05518	1.4
57.03425	0.8
59.04995	3.5
65.03939	2.2
67.05524	2.7
68.99792	2.5
69.03445	1.0
69.07063	1.1
69.44399	0.7
71.04955	2.4
72.08153	1.6
75.04478	1.4
79.01864	1.6
79.05502	3.4
81.03417	1.0
81.07059	1.5
82.04202	2.7
83.04976	2.4
85.02939	0.8
86.09698	1.6
91.05466	1.0
93.03389	2.2
93.07053	2.3
95.01338	9.2
95.04982	2.3
95.08613	1.1
97.06538	3.3
99.04456	1.6
107.01263	1.3
107.04939	2.0
107.08614	3.9
108.41081	0.6
109.02889	1.4
109.10229	0.7
110.03674	29.3
111.04463	7.7
114.05550	0.6
121.06490	2.6
121.10145	1.1
123.00809	0.7
123.04436	2.3
125.06004	81.6
126.06239	0.8
127.03930	5.6
128.06216	1.8
129.07056	2.9
135.08072	1.6
138.03104	1.8
139.03920	20.2
139.11195	1.0
141.05531	1.1
142.06203	0.8
142.07790	2.4
143.08586	4.6
147.48625	0.6
153.05479	100.0
154.06268	41.7
155.03421	3.1
155.06912	1.8
155.08498	1.4
156.04169	0.6
156.09340	1.2
157.10156	3.7
169.04974	0.6
170.05753	6.7
170.10938	3.7
185.08121	25.4
185.09563	1.0
185.13275	6.0
186.08406	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0732
Annotation	O-Phosphocholine
Peak:m/z	Relative Intensity
55.81565	0.4
56.05045	1.2
57.97528	0.5
58.06597	0.6
60.08168	19.5
70.06596	0.5
71.07378	11.5
86.09710	100.0
87.10058	1.3
98.98471	18.0
100.33978	0.4
101.95040	9.1
104.10757	4.5
119.96080	2.0
125.00011	81.4
126.00324	0.6
142.97693	0.5
145.76500	0.4
170.19891	0.5
184.07352	95.4
185.07681	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0733
Annotation	O-Phosphocholine
Peak:m/z	Relative Intensity
56.05038	1.5
58.06604	0.8
60.08167	19.2
61.91393	0.4
69.18409	1.4
69.18832	2.6
71.07378	11.9
71.54179	0.4
82.09969	0.4
86.09711	100.0
86.74870	0.4
87.10041	1.2
98.21477	0.7
98.98476	18.7
101.95042	8.6
104.10750	4.5
119.96062	2.3
125.00013	78.5
126.00394	0.4
137.97090	0.5
138.09233	0.4
143.01054	0.5
164.02644	0.4
184.07355	88.7
185.07729	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0734
Annotation	O-Phosphocholine
Peak:m/z	Relative Intensity
56.05042	2.2
58.06611	0.8
60.08171	19.3
70.06601	1.1
70.90955	1.2
70.91325	1.4
71.07388	11.3
71.95267	2.0
79.05506	0.7
84.04475	0.7
86.09718	100.0
87.10023	0.9
95.04978	0.7
95.77606	0.6
96.08160	1.1
98.98478	19.1
101.95044	41.0
104.10777	4.5
106.03732	0.7
110.09776	0.6
119.96085	13.7
120.08109	0.6
124.07629	0.9
125.00021	81.9
137.97116	8.6
138.09186	2.6
142.97682	2.0
143.01088	1.0
148.11829	0.8
155.98148	1.6
160.98718	3.2
166.08658	2.9
178.99756	1.2
181.23093	0.7
184.07372	93.4
184.09650	5.3
185.07738	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0457
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52766	0.5
52.43274	0.6
53.64740	0.7
60.79435	0.6
62.21807	0.5
67.27565	0.6
68.44070	0.5
69.75082	0.5
71.27328	0.9
71.27691	0.6
77.75375	0.5
82.99850	8.3
88.68145	0.5
94.43875	0.6
101.00894	59.9
101.95005	0.7
102.00960	1.3
111.00446	0.7
119.01936	100.0
120.02039	2.4
124.02459	4.7
137.02972	14.5
142.03513	22.7
143.01920	1.3
143.03636	1.0
160.04579	3.2
161.02980	10.5
179.04048	9.4
184.04555	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0608
Annotation	3-Hydroxy-4-hydroxymethyl-2-methylpyridine-5-carboxylate
Peak:m/z	Relative Intensity
50.12782	0.3
50.32058	0.4
53.03957	0.4
53.81129	0.3
55.01881	1.0
55.05509	1.6
56.96569	11.8
57.03452	2.4
59.27100	0.4
65.03945	2.7
67.05511	0.5
68.05024	0.4
69.03442	2.3
69.21718	1.2
69.22131	2.6
70.06596	1.5
70.98126	0.4
71.01358	5.1
71.05003	0.6
71.95274	0.5
73.02918	1.6
73.06561	0.6
74.00266	0.7
74.93174	0.7
74.97619	0.8
81.03414	0.9
82.06594	0.7
82.99848	2.3
83.04990	0.6
84.96045	2.5
85.02919	2.8
85.31564	0.3
86.09720	0.7
89.00805	0.5
89.44336	0.3
92.05019	2.4
95.04993	0.6
97.02891	2.3
98.21546	0.8
98.97585	7.1
101.00889	20.1
101.95038	4.1
101.97240	0.5
102.01029	0.4
102.96894	0.8
103.55051	0.4
107.04978	1.7
110.06055	1.4
110.09692	0.5
110.97603	4.0
111.02065	0.7
112.99130	0.5
113.00902	0.7
113.02398	1.2
115.02436	0.4
116.01257	0.5
116.98606	2.0
119.01929	40.5
119.96072	1.3
120.01984	0.9
120.02735	0.4
120.04478	2.1
122.02406	0.6
122.06063	0.4
123.04414	0.6
124.00932	0.4
124.02470	1.3
124.03922	0.6
124.04823	0.4
124.99118	0.4
128.98586	2.5
129.01857	0.6
129.03117	1.2
130.05127	0.4
131.01906	1.2
137.02962	7.5
138.05496	6.6
138.06532	0.4
142.01797	0.7
142.03520	7.5
143.00169	1.2
143.01880	3.1
145.01637	0.5
145.03523	0.4
146.99667	0.8
147.55885	0.6
148.03940	96.4
149.04269	1.4
156.03371	0.4
156.98091	0.9
158.99661	0.6
160.04599	1.4
161.01427	0.8
161.02950	7.4
161.06590	0.5
163.02837	0.6
166.05011	100.0
167.05347	1.8
168.98116	0.6
174.99153	0.8
177.00716	0.5
178.98572	0.5
179.02440	0.7
179.03979	3.7
182.99631	0.4
184.02975	0.6
184.04793	0.5
184.06062	13.6
184.09691	1.4
184.97577	0.8
185.06734	0.5
186.99203	0.6
202.98668	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0457
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52766	0.5
52.43274	0.6
53.64740	0.7
60.79435	0.6
62.21807	0.5
67.27565	0.6
68.44070	0.5
69.75082	0.5
71.27328	0.9
71.27691	0.6
77.75375	0.5
82.99850	8.3
88.68145	0.5
94.43875	0.6
101.00894	59.9
101.95005	0.7
102.00960	1.3
111.00446	0.7
119.01936	100.0
120.02039	2.4
124.02459	4.7
137.02972	14.5
142.03513	22.7
143.01920	1.3
143.03636	1.0
160.04579	3.2
161.02980	10.5
179.04048	9.4
184.04555	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0457
Annotation	Unknow
Peak:m/z	Relative Intensity
71.48436	1.2
82.99850	8.5
98.97594	0.5
101.00893	61.9
102.00992	1.6
115.37860	0.6
119.01936	100.0
120.02003	3.0
124.02452	4.5
137.02972	13.1
142.03513	21.5
143.03563	0.8
160.04579	2.5
161.02989	10.9
179.04033	7.8
184.04601	1.2
184.17914	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.1381
Annotation	Nordavanone
Peak:m/z	Relative Intensity
53.03944	8.1
55.01880	8.5
55.05515	19.1
57.03442	8.4
57.07079	9.4
59.04989	3.4
65.03947	3.4
67.05185	1.9
67.05508	31.4
69.03434	40.6
69.07072	47.9
71.05000	13.4
71.08608	2.7
71.51128	2.1
71.65300	1.4
72.08152	1.6
73.02911	1.7
74.07532	1.3
77.03915	1.4
77.85449	1.6
79.05495	18.2
81.03421	9.0
81.07062	100.0
83.04993	18.1
83.08607	6.6
84.08125	1.7
85.02906	6.5
85.06546	18.5
91.05484	9.3
93.07048	13.4
95.04977	31.8
95.08614	37.8
97.06537	14.7
97.10155	1.9
98.98449	5.4
99.04465	26.6
99.07507	1.9
99.08103	31.0
101.06055	1.6
103.05462	1.7
105.03411	9.1
105.04521	1.9
105.07044	11.6
107.04986	2.8
107.08595	17.8
109.02899	1.5
109.06518	22.6
109.10168	24.8
110.38597	1.4
111.04446	5.9
111.08100	7.7
113.06012	5.8
115.05479	2.7
119.08585	12.6
121.10156	29.6
123.04446	19.1
123.08069	18.1
123.11700	28.7
124.07571	2.3
125.05959	3.8
125.09649	21.5
125.10487	2.8
127.07576	10.4
129.05460	2.2
133.02821	1.4
137.05962	4.6
137.07912	2.8
137.09615	17.1
137.13246	7.1
138.09053	1.4
139.07495	3.5
139.11194	26.6
140.04655	4.8
141.06967	4.8
142.07755	2.7
147.11688	7.0
151.03856	1.6
153.05627	3.3
153.06981	8.4
154.07715	2.2
155.04836	1.3
155.07161	2.8
155.08591	17.3
155.10704	2.6
165.05434	2.8
165.07373	1.5
165.09125	7.8
165.11545	2.3
165.12769	16.6
167.08728	1.6
168.05588	1.5
168.09348	14.4
169.28065	1.7
181.10123	1.5
182.08452	1.5
183.04709	1.8
183.06525	3.8
183.09183	81.6
183.11716	19.6
183.13800	32.3
184.09607	4.6
191.04431	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.1384
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03963	21.1
55.01632	6.4
55.01883	79.4
55.05515	32.8
57.03436	17.6
57.07084	9.2
58.28133	4.0
58.44638	4.1
59.04995	12.6
62.08246	4.2
65.03928	8.6
67.05517	55.7
69.03445	62.2
69.07082	35.9
70.75843	4.0
71.05008	45.0
71.50950	7.3
73.02900	5.3
73.25395	3.7
77.03946	5.7
79.05508	28.7
81.03421	16.8
81.07065	90.5
83.05013	25.0
83.08624	11.8
85.02921	17.1
85.06555	43.8
87.04475	8.0
91.05502	27.2
93.07059	40.0
93.94646	4.9
94.76745	4.2
95.04986	100.0
95.08615	72.9
97.02909	4.2
97.06525	29.7
98.98470	26.1
99.04468	34.5
99.08119	7.6
105.03426	22.5
105.04537	7.5
105.07051	37.1
107.08619	52.3
109.06535	32.2
109.10195	29.6
111.04450	10.1
111.08090	9.7
115.05529	4.8
119.08593	27.9
121.10164	28.9
123.04446	69.0
123.08087	34.7
123.11724	59.4
124.07603	6.1
125.06007	10.6
125.09639	11.9
127.01634	5.3
127.03970	5.7
127.07559	14.7
128.06197	5.7
129.05473	12.4
129.07019	4.8
137.05959	17.0
137.09634	34.2
137.13249	18.4
139.11211	62.0
140.04727	24.4
141.07034	22.4
142.07802	9.7
143.08650	6.1
147.08055	5.4
147.11699	19.4
153.05620	7.6
153.07016	17.0
155.07071	12.0
155.08565	41.9
165.05539	8.5
165.09138	16.4
165.12749	32.3
168.09389	30.6
183.04562	4.7
183.06551	15.3
183.08087	10.6
183.10196	12.0
183.11728	67.1
183.13785	19.9
194.67082	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	183.1384
Annotation	Nordavanone
Peak:m/z	Relative Intensity
53.03963	21.1
55.01632	6.4
55.01883	79.4
55.05515	32.8
57.03436	17.6
57.07084	9.2
58.28133	4.0
58.44638	4.1
59.04995	12.6
62.08246	4.2
65.03928	8.6
67.05517	55.7
69.03445	62.2
69.07082	35.9
70.75843	4.0
71.05008	45.0
71.50950	7.3
73.02900	5.3
73.25395	3.7
77.03946	5.7
79.05508	28.7
81.03421	16.8
81.07065	90.5
83.05013	25.0
83.08624	11.8
85.02921	17.1
85.06555	43.8
87.04475	8.0
91.05502	27.2
93.07059	40.0
93.94646	4.9
94.76745	4.2
95.04986	100.0
95.08615	72.9
97.02909	4.2
97.06525	29.7
98.98470	26.1
99.04468	34.5
99.08119	7.6
105.03426	22.5
105.04537	7.5
105.07051	37.1
107.08619	52.3
109.06535	32.2
109.10195	29.6
111.04450	10.1
111.08090	9.7
115.05529	4.8
119.08593	27.9
121.10164	28.9
123.04446	69.0
123.08087	34.7
123.11724	59.4
124.07603	6.1
125.06007	10.6
125.09639	11.9
127.01634	5.3
127.03970	5.7
127.07559	14.7
128.06197	5.7
129.05473	12.4
129.07019	4.8
137.05959	17.0
137.09634	34.2
137.13249	18.4
139.11211	62.0
140.04727	24.4
141.07034	22.4
142.07802	9.7
143.08650	6.1
147.08055	5.4
147.11699	19.4
153.05620	7.6
153.07016	17.0
155.07071	12.0
155.08565	41.9
165.05539	8.5
165.09138	16.4
165.12749	32.3
168.09389	30.6
183.04562	4.7
183.06551	15.3
183.08087	10.6
183.10196	12.0
183.11728	67.1
183.13785	19.9
194.67082	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	182.1541
Annotation	(+)-Myrioxazine B
Peak:m/z	Relative Intensity
50.23481	0.6
55.01870	1.6
55.05515	9.7
57.03426	2.0
57.07079	3.3
58.02967	35.7
67.05510	24.9
69.03422	0.7
69.07074	68.7
69.16153	6.5
69.17480	0.6
70.06596	3.7
70.07372	0.8
71.08596	1.0
72.75951	0.6
74.06074	1.4
79.05495	6.3
80.05029	0.7
81.06593	1.0
81.07063	20.9
82.06589	1.2
83.04964	2.2
83.08631	9.1
84.04495	0.6
84.08144	9.7
85.06519	0.6
86.06079	1.3
91.05490	5.6
93.07053	11.1
95.04948	2.5
95.08607	7.7
97.06515	4.3
98.06076	3.2
98.09710	1.7
98.97575	1.3
99.97919	1.5
100.07627	6.2
105.03363	0.7
105.07039	14.5
107.08604	20.6
108.08086	0.7
109.06518	1.9
109.10165	52.1
110.10509	0.8
112.07595	3.1
114.09175	15.3
116.98624	0.7
119.08597	2.3
121.10150	1.9
123.08092	0.8
123.11729	8.9
126.09171	14.9
126.12802	1.9
133.10144	29.0
135.11696	20.4
136.07576	1.6
137.13280	0.8
138.12793	24.3
140.10695	1.4
140.14319	1.1
147.11723	5.1
151.11185	9.0
153.12761	13.2
154.08640	4.6
154.15945	1.3
158.74950	0.6
164.11624	0.9
164.14363	2.8
165.12811	3.1
182.08147	1.6
182.15417	100.0
183.15761	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.0868
Annotation	Allitol
Peak:m/z	Relative Intensity
53.03947	8.0
55.01880	36.8
55.05510	16.6
56.96570	50.5
57.03445	75.7
59.15924	4.2
59.48322	4.5
61.02928	32.7
67.05514	6.2
69.03436	84.9
70.63420	4.1
70.63767	9.7
71.01369	9.3
71.04999	25.2
71.15556	4.5
73.02934	54.3
74.00285	5.2
77.00887	3.7
81.03423	34.6
82.99863	13.9
83.04991	39.8
85.02915	71.9
87.04486	10.7
88.02673	4.4
91.03971	5.7
93.01936	4.9
95.04983	13.6
97.02908	45.7
98.01340	4.8
98.97608	46.0
98.98262	6.3
99.01941	5.3
99.04484	48.8
100.02614	6.4
101.00898	77.9
101.02532	5.5
101.06030	10.2
102.02422	8.2
103.02414	4.3
103.03953	7.5
105.03410	4.8
108.02356	5.2
110.01259	5.2
110.97571	9.0
111.02051	6.5
111.02932	12.2
111.04457	26.2
113.00855	30.3
114.00907	7.1
114.02481	4.4
115.01660	4.0
115.02427	12.0
116.98613	12.0
117.02115	4.2
117.02930	7.0
119.01931	100.0
120.02634	8.2
120.08141	4.2
121.03199	4.3
123.02971	11.9
123.04432	9.1
123.06623	4.8
127.02436	7.5
127.03948	8.5
128.98663	5.2
129.03014	15.2
129.05510	23.4
131.00223	4.1
131.01930	42.7
132.02078	12.0
132.03473	6.2
133.01656	4.9
133.03461	9.1
134.03604	5.4
135.03145	4.9
137.02971	8.7
137.08011	8.8
138.03474	9.9
140.04672	5.7
142.03517	16.0
143.00240	5.4
143.01921	54.7
145.01694	5.4
145.03474	11.7
147.01331	4.0
148.03905	7.4
155.01929	38.5
155.03062	4.2
155.03653	5.2
155.07060	10.1
157.03510	22.8
161.03001	30.1
166.04980	8.6
167.01872	10.3
173.01509	6.5
173.02971	37.5
174.03116	5.0
175.04507	7.2
178.02605	6.0
179.02316	4.2
179.04082	7.8
183.06549	6.6
183.11368	14.1
184.05951	4.8
184.07397	5.8
185.02972	17.5
186.03094	4.7
203.04021	13.6
203.52890	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	181.1224
Annotation	Nortricycloekasantalic acid
Peak:m/z	Relative Intensity
55.01866	2.2
55.05491	1.7
56.96579	1.2
57.03448	0.9
57.07079	20.7
59.05001	1.9
67.05495	3.2
69.03410	1.4
69.07056	3.2
69.60387	4.9
71.04998	1.4
79.05499	9.3
81.03412	5.8
81.07069	4.3
82.06598	0.8
83.04987	48.2
83.07371	0.9
85.06539	1.1
91.05473	3.9
93.07046	9.4
95.04976	14.2
97.02900	1.0
97.06536	24.9
98.06065	1.0
98.20818	1.1
98.97594	18.5
105.07043	4.5
105.23540	0.8
105.64348	0.8
107.04961	3.1
107.08599	11.4
109.06542	1.0
111.04452	0.8
116.98625	13.6
117.07032	2.5
119.08576	3.8
121.06515	3.0
121.10149	14.6
125.06001	61.2
126.06259	1.1
126.09137	1.2
130.07777	2.6
134.99681	6.1
135.08080	2.0
135.11691	6.4
136.07610	1.5
140.00197	1.8
143.08644	0.9
145.10139	10.3
154.08652	7.2
154.76488	0.8
163.03923	0.9
163.11191	100.0
164.11536	1.2
164.33295	1.0
165.06934	1.1
166.07785	1.8
166.88605	1.0
167.08403	1.0
181.02577	1.4
181.04921	1.5
181.06360	0.9
181.08577	1.3
181.10176	3.8
181.12225	27.7
182.08131	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	181.1225
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
53.03951	5.1
55.01869	3.9
55.05518	7.6
57.03428	1.3
57.07084	21.0
59.04991	2.2
63.07768	1.0
65.03944	6.2
67.05514	5.3
69.03427	3.9
69.07069	5.9
71.04980	2.5
71.51017	1.6
77.03933	1.4
78.04720	2.0
79.05503	18.3
81.03438	6.6
81.07072	9.8
82.06547	1.0
83.04992	44.7
83.08624	10.7
85.02919	1.9
85.06533	1.6
89.03938	1.5
90.04723	1.7
91.05494	23.9
92.06247	1.5
92.21844	0.9
93.03409	2.1
93.06487	1.4
93.07059	25.2
95.04983	22.2
95.08621	6.1
97.02883	2.5
97.06546	25.7
98.97610	8.7
99.04456	1.4
103.05470	6.8
105.04523	2.7
105.07071	7.3
106.04190	3.1
107.04974	8.3
107.08610	18.5
108.05755	2.3
109.06539	5.5
109.10158	3.0
110.03678	1.0
111.04443	2.3
111.08102	2.1
116.98638	4.8
117.07038	3.4
119.04969	1.4
119.08596	5.8
120.05715	1.4
121.02883	1.7
121.06526	21.2
121.09334	1.9
121.10164	27.6
121.39052	0.9
122.03656	1.3
123.04441	4.7
123.08096	5.1
125.06009	59.0
125.09590	0.9
130.07788	2.1
134.03629	1.0
134.99655	1.6
135.04425	4.2
135.08070	3.8
135.11714	10.5
136.05206	1.8
136.54062	0.9
137.05988	16.0
137.09612	2.3
138.03111	1.4
138.06790	6.2
139.07593	1.7
139.11183	1.4
142.02669	1.1
145.10133	12.3
148.05222	41.2
149.06018	7.6
151.03932	7.0
153.05501	1.1
153.09100	1.6
153.12788	1.0
154.08607	1.2
163.11205	86.9
164.11597	2.6
165.05539	2.0
165.07034	1.2
166.06300	3.8
166.07745	2.1
171.06599	1.0
181.05196	7.9
181.08629	100.0
181.12207	29.4
182.08957	1.4
204.73581	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1226
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
53.03942	1.7
55.01873	0.9
55.05500	2.7
56.96561	2.3
57.03440	1.3
57.07083	23.8
59.04993	2.7
61.41892	0.7
64.93465	0.7
67.05522	1.0
69.03428	1.8
69.07074	4.0
70.09712	3.3
71.95260	1.0
79.05503	9.3
81.03429	6.2
81.07054	4.9
83.04993	49.5
85.06512	0.7
86.06101	0.7
89.54913	0.7
91.05499	4.5
92.07821	0.7
93.07055	9.1
95.04983	18.1
95.08615	1.9
97.06546	23.3
98.97597	21.9
99.05588	0.8
105.07037	6.6
107.04980	3.7
107.08603	11.9
109.06517	1.4
114.96038	0.7
116.98633	13.6
117.07024	1.5
119.08582	3.7
121.06544	3.8
121.10165	12.8
125.06010	66.4
126.06371	1.0
130.07761	2.5
134.99702	6.5
135.08061	1.3
135.11702	6.5
137.09608	0.8
140.00182	1.3
143.08655	1.1
145.10152	10.9
153.00731	0.8
154.08629	3.0
158.01306	1.3
162.28578	0.9
163.03851	1.1
163.11203	100.0
164.11513	2.2
164.54935	0.8
166.07748	2.2
181.04944	1.0
181.08711	1.0
181.10223	2.3
181.12248	28.1
182.08098	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1224
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
53.03939	3.1
55.01860	1.3
55.05517	40.0
56.96559	3.5
57.06835	1.2
57.07081	15.3
59.04989	1.3
65.03938	1.1
67.05506	11.2
69.03433	1.9
69.07074	4.7
70.16999	0.9
70.89538	2.0
70.89907	2.1
71.04964	1.5
79.05493	10.6
81.06647	1.5
81.07063	14.4
83.04990	20.5
83.08609	1.5
85.06548	6.2
87.60094	0.9
91.05489	11.9
93.06491	1.8
93.07054	28.8
95.04971	6.4
95.08617	17.4
97.06544	15.0
98.97591	36.9
103.05500	1.6
105.07040	12.2
107.04976	1.6
107.08605	36.5
109.06509	6.6
109.10151	2.9
111.04453	100.0
111.08092	6.7
112.04765	2.0
113.06010	5.6
116.98628	13.7
117.07006	4.0
119.08584	4.6
120.09313	1.3
121.06523	5.6
121.10182	5.4
122.07310	2.8
123.08038	2.1
125.06003	44.0
127.07539	2.8
130.07805	4.1
134.99640	4.1
135.08064	24.4
135.11699	23.9
137.05910	0.9
137.13301	1.5
138.06720	1.5
139.07507	2.3
140.00221	2.5
145.09068	1.4
145.10144	19.7
153.12794	5.0
163.11186	19.3
163.14711	1.1
171.19408	0.9
181.08575	1.1
181.12244	27.7
187.83717	0.9
198.97673	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1224
Annotation	3-tert-Butyl-5-methylcatechol
Peak:m/z	Relative Intensity
53.03939	1.9
55.01855	1.7
55.05512	6.8
56.96564	4.3
57.03444	0.8
57.07084	4.1
59.05002	0.9
67.05512	8.8
69.03414	1.2
69.07075	4.5
69.32147	4.6
69.32553	0.9
71.01364	0.7
71.05007	3.3
71.95258	1.2
79.05491	8.3
81.03410	1.4
81.07063	7.2
83.04990	5.9
83.08628	1.1
85.06535	1.2
86.06043	0.6
91.05490	9.9
93.07050	29.1
95.04962	5.2
95.08612	15.4
97.06538	15.8
98.97587	53.3
102.32167	0.6
105.07040	6.7
106.07799	1.2
107.04942	1.4
107.08605	21.0
109.06491	3.3
109.10145	2.7
111.04451	5.2
111.08080	8.8
115.05424	0.6
116.97298	1.2
116.98624	29.7
117.07018	1.6
119.06085	1.0
119.08605	4.0
120.51911	0.7
121.06503	4.4
121.10147	4.6
122.07298	1.0
123.04425	0.9
123.08060	1.9
124.05213	1.0
125.06001	71.3
125.09605	1.1
127.07564	0.8
130.07773	2.0
134.99673	11.3
135.08078	5.8
135.11697	19.3
136.07567	1.0
136.15872	0.7
137.05974	0.7
138.06779	9.9
139.07526	2.8
140.00209	2.7
143.08516	0.7
145.10132	10.5
153.00699	0.8
153.12766	6.8
154.08641	1.7
158.01248	1.5
163.03970	0.8
163.11183	17.7
166.07683	0.9
181.04938	1.3
181.12242	100.0
181.15726	2.0
182.04457	0.9
182.12592	2.1
182.62692	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1226
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
55.01875	1.2
55.05507	2.7
56.96577	6.7
57.03435	1.4
57.07067	3.4
59.05007	4.5
65.03960	0.7
65.44084	0.7
66.42105	0.8
67.05511	3.8
69.03421	2.9
69.07082	4.5
69.32159	1.7
69.32558	6.0
71.95251	1.6
79.05499	10.5
81.07065	8.2
83.04984	3.8
83.08607	0.8
91.05476	7.2
93.07056	22.2
95.04985	3.8
95.08063	1.3
95.08620	18.6
96.08857	0.7
97.06525	3.8
98.97596	84.5
103.05482	8.0
105.04454	0.8
105.07043	4.6
107.04974	1.5
107.08608	36.1
109.06514	1.3
109.10146	3.1
111.04427	2.3
111.08099	2.8
116.98638	40.5
119.08591	5.8
121.06535	7.5
121.10152	19.9
123.08114	4.6
123.37248	0.8
125.06001	7.0
130.07776	1.4
134.99681	15.3
135.04457	1.2
135.08092	1.6
135.11708	48.5
136.07582	1.4
137.06052	0.8
137.13252	1.3
139.07530	8.4
140.00232	3.8
145.10133	11.6
149.05916	0.9
153.00723	1.7
153.05501	1.0
153.06999	2.3
153.12775	2.3
154.08623	2.8
158.01297	3.3
163.03839	0.9
163.11209	34.1
164.07097	0.8
164.11523	1.1
165.07040	4.5
166.07779	7.5
181.04982	2.6
181.08690	2.3
181.10303	5.6
181.12250	100.0
182.08159	1.0
182.12592	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1224
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
50.78218	0.7
52.21559	0.6
52.59410	0.6
53.03948	4.0
55.01873	0.8
55.05516	36.6
55.85581	0.7
56.96570	5.9
57.03439	1.4
57.07082	13.7
59.05021	1.4
64.69662	0.6
65.03951	1.6
65.78397	0.6
67.05510	11.5
69.03423	2.4
69.07066	4.3
69.74484	0.6
70.32690	0.6
70.46113	2.3
71.01349	0.7
71.04992	1.6
71.95274	0.8
73.52184	0.8
77.03932	1.0
79.05503	11.0
81.07063	12.8
83.04985	16.9
84.82243	0.7
85.06551	4.4
91.05484	12.9
93.07052	30.3
95.04971	6.1
95.08614	17.2
95.09177	1.3
97.06533	11.5
97.99207	0.9
98.97593	41.0
102.66692	0.7
103.05470	1.4
105.07035	11.7
107.04962	2.2
107.08604	33.0
107.83737	0.8
109.06537	7.5
109.10172	2.9
109.89186	0.7
111.04450	100.0
111.08092	7.2
112.04774	1.0
113.06010	4.4
114.24191	0.8
116.97240	0.8
116.98631	18.0
117.07069	4.9
119.08594	3.4
120.09337	0.6
121.06513	5.6
121.10147	3.2
122.07305	2.5
123.08082	2.3
125.06004	47.7
126.06324	0.8
127.07559	3.4
128.97620	0.8
129.07016	1.3
130.07768	3.7
134.99649	5.2
135.08067	24.8
135.11703	25.3
137.05978	1.1
137.13234	1.0
138.06773	2.9
139.07520	3.2
140.00204	1.2
143.08583	0.8
145.10138	18.9
152.01900	0.8
153.12773	4.9
158.01268	1.1
163.11186	18.5
166.07742	1.4
181.04900	0.7
181.08740	1.1
181.10228	2.2
181.12242	34.4
182.63490	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1013
Annotation	Stilbene
Peak:m/z	Relative Intensity
51.02383	1.1
53.03952	4.7
55.01883	1.8
55.05522	2.1
56.96573	7.2
57.03436	1.3
57.07078	2.8
59.04991	0.7
60.19725	0.5
65.03953	2.2
67.05504	2.4
69.03443	2.5
69.07072	2.2
70.06586	0.9
70.43672	0.6
71.05012	1.0
71.51724	1.1
71.95268	2.3
75.04489	0.6
75.61583	0.5
77.03948	1.3
79.05495	6.6
80.05028	0.8
81.03417	2.0
81.07075	4.2
83.04995	7.2
83.08614	0.7
84.36037	0.6
85.02914	1.3
91.05492	8.3
93.03417	0.9
93.07055	10.4
95.04977	10.8
95.08610	2.0
97.02931	1.0
97.06548	4.7
98.97594	56.6
99.04479	0.8
102.04686	1.0
102.38952	0.5
103.05479	90.4
104.05822	1.7
105.04522	2.3
105.07060	2.6
106.04173	1.2
107.04955	2.4
107.08605	7.5
108.08090	0.8
109.06524	1.1
110.05983	0.9
111.04456	2.7
111.08087	1.3
115.05470	2.0
116.97304	1.1
116.98631	38.8
117.07076	1.1
119.04921	0.7
119.08598	1.5
121.06523	9.0
121.10149	8.4
121.10957	0.9
123.04510	0.7
123.08070	1.3
125.06000	10.3
125.09683	0.8
134.99675	22.3
135.04433	1.9
135.08052	2.6
135.11716	4.3
136.07600	1.5
137.06009	1.1
137.09628	0.9
139.07613	0.6
140.00204	3.4
141.07004	8.6
145.10123	2.3
148.05228	1.2
149.06046	3.5
150.09157	1.1
152.06224	2.6
153.00702	1.9
153.01855	0.9
153.05568	1.6
153.06995	12.4
153.09105	1.7
154.07455	1.0
154.08592	3.9
158.01244	3.9
163.03911	2.1
163.07523	1.6
163.11200	12.1
165.07022	56.9
166.07802	100.0
167.08156	2.9
178.07811	5.3
179.07071	1.3
179.08582	19.1
180.09219	2.2
181.05002	7.8
181.06671	1.8
181.08629	7.3
181.10127	86.5
181.12187	7.2
182.04419	0.7
182.08127	2.0
182.10483	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	181.1012
Annotation	9,10-Dihydrophenanthrene
Peak:m/z	Relative Intensity
50.60095	0.5
51.02371	0.7
53.03950	3.5
53.16847	0.5
55.01875	0.9
55.05513	1.7
56.96568	4.8
57.03445	0.6
57.07075	1.5
59.05011	0.6
61.63162	0.5
62.57606	0.6
65.03936	1.1
66.89841	0.5
67.05513	1.7
68.99783	0.6
69.03430	1.1
69.07067	1.4
70.15741	2.6
71.01334	0.5
71.95271	1.7
77.03928	1.5
79.05492	4.5
81.03426	1.6
81.07037	2.6
82.22975	0.6
83.04973	4.7
83.08624	0.6
85.06572	0.6
91.05495	5.0
93.03408	0.6
93.07051	6.4
94.07391	0.7
95.04969	5.2
95.08620	1.4
97.05452	0.5
97.06514	3.2
98.97589	44.2
102.04653	0.7
103.05472	88.5
104.05796	1.7
105.04520	1.5
105.07057	1.2
106.04163	0.7
107.04960	1.3
107.08598	3.2
109.06512	0.7
111.04449	0.8
111.08115	0.8
115.05502	1.3
116.97289	1.1
116.98623	28.6
117.07021	1.1
119.08559	1.2
121.06502	5.8
121.10157	5.4
125.02390	0.6
125.06004	5.1
134.99667	12.1
135.04341	1.3
135.08060	1.8
135.11664	1.9
136.07587	1.1
136.10979	0.6
137.05986	0.9
139.07547	1.0
139.11116	0.6
140.00172	2.0
141.06990	6.8
145.10094	1.0
148.05121	0.7
149.05968	2.4
152.06224	2.2
153.00728	1.1
153.06992	12.4
153.09052	1.3
154.08653	0.7
158.01254	2.2
163.03928	1.5
163.07579	0.8
163.11171	7.6
165.07013	53.6
166.07790	100.0
167.08148	3.3
178.07779	4.9
179.07063	1.1
179.08571	17.2
180.09117	1.7
181.05060	3.9
181.06567	2.1
181.08591	11.6
181.10106	73.9
181.12085	3.0
182.08080	0.7
182.10480	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	180.102
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01592	0.3
51.02375	0.3
53.03953	3.0
55.01866	0.4
55.05514	0.4
57.03431	0.6
58.06604	5.2
65.03939	0.3
67.05503	0.6
69.03423	0.7
71.05000	0.3
71.51581	0.3
77.03934	1.3
79.05505	1.2
80.05823	0.5
80.69875	0.2
81.03442	0.3
81.07057	1.1
82.06591	0.3
83.04994	0.2
84.08134	0.2
85.02939	0.3
91.05508	1.2
92.05820	0.4
93.07053	1.2
95.04980	4.0
95.08624	0.3
96.05327	0.3
97.06528	0.2
98.97591	0.6
103.05469	0.5
105.03400	100.0
106.03735	3.8
106.06579	0.4
106.07331	0.2
107.04984	0.2
107.08588	0.6
108.04485	0.4
109.06526	0.2
109.10168	0.3
110.06026	0.3
112.07626	0.2
116.98639	0.3
120.04508	0.2
120.05284	0.3
120.08131	1.7
120.08912	0.3
121.06534	1.0
121.10151	0.8
122.10432	0.2
123.04444	0.4
123.08091	0.2
124.03992	0.2
124.04814	0.5
124.07594	0.2
124.08390	0.2
134.06024	1.3
134.10509	0.4
135.11737	0.3
137.05949	0.5
137.09605	0.3
138.05473	0.2
138.09100	0.3
145.10170	0.3
146.91357	0.2
148.04816	0.5
149.05994	0.4
152.07101	0.5
162.05493	0.5
162.09129	5.4
163.03889	0.2
163.07559	6.4
163.11201	0.4
163.20291	0.2
164.07899	0.3
180.03825	0.7
180.06596	0.7
180.07776	0.3
180.10088	2.3
181.05025	0.6
181.08615	0.6
181.10052	0.2
181.12196	0.3
193.96629	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	180.0881
Annotation	3,7-Dimethylguanine
Peak:m/z	Relative Intensity
53.03938	0.9
55.01857	1.8
55.05516	1.3
56.05032	1.0
56.96580	4.0
57.03436	0.9
58.06599	0.8
60.05635	2.3
65.03934	1.1
67.03012	0.7
67.05496	2.0
68.05024	1.8
69.03434	4.5
69.04543	2.2
69.07059	1.3
69.95705	2.7
70.06583	0.9
71.01351	0.7
71.04990	1.6
72.08135	0.6
75.02238	0.7
79.05499	4.0
80.05013	2.1
81.03401	0.9
81.04553	1.6
81.07050	3.0
82.06547	1.3
82.14702	0.6
83.04951	1.0
83.06094	2.0
84.08158	1.2
84.96034	0.6
85.02893	2.9
86.03554	1.6
87.91965	0.6
91.05469	3.0
92.05824	1.5
93.03416	0.6
93.04519	1.9
93.07047	2.2
94.04083	1.1
94.58232	0.6
95.04962	2.2
95.06084	5.1
96.04491	1.4
96.08123	1.2
97.02903	1.8
97.03990	1.7
98.03561	0.8
98.97597	11.9
103.05451	1.4
106.06587	3.3
106.07235	0.8
107.02447	8.8
107.04912	1.5
107.19955	0.7
108.04476	3.8
108.05609	2.7
108.08127	0.8
109.02882	0.7
109.04002	2.5
110.03511	2.3
110.06029	2.6
110.07172	9.9
110.09664	0.6
110.97590	0.7
111.04449	0.8
112.07607	4.8
112.08709	1.4
113.04601	1.1
116.98627	6.5
117.88087	0.6
119.04920	0.7
120.05659	1.5
120.08133	3.5
120.08841	0.8
120.45239	0.7
121.03981	3.2
121.06506	1.6
122.06046	0.8
124.04041	1.2
124.05065	5.6
124.07587	1.7
125.03485	10.3
125.06036	0.8
128.02312	1.5
132.08145	0.7
134.03511	2.0
134.06029	6.9
134.06917	0.8
134.09663	1.9
134.99649	2.3
135.03088	0.8
135.04456	1.8
135.06674	22.0
135.08168	1.3
136.07573	0.8
137.04546	1.0
137.05969	2.0
137.08212	1.5
138.05515	2.8
138.06613	9.9
138.09151	3.2
139.06125	7.6
148.04791	2.2
149.04596	15.3
149.05783	0.8
151.06161	13.5
151.07365	0.5
152.04506	0.8
152.05687	9.0
152.07065	5.7
152.08121	0.8
152.09314	7.0
152.10539	0.9
153.04143	0.6
156.07716	1.1
158.99677	1.3
162.05396	2.9
162.07779	1.4
162.09128	11.6
162.11163	0.7
163.03973	1.4
163.06203	9.3
163.07515	1.0
165.06480	9.6
177.00761	0.9
179.08031	1.1
180.03792	1.9
180.06516	6.2
180.08818	100.0
180.10156	6.1
181.05025	2.7
181.07198	4.6
181.08804	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	179.1432
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
53.03936	3.5
55.01872	6.3
55.05515	10.1
56.96565	0.9
57.03446	7.7
57.07079	1.7
65.03944	2.4
67.05509	42.9
69.03419	2.9
69.07079	10.0
69.22957	7.5
69.23359	1.8
71.04986	3.7
77.03921	1.0
79.05496	35.4
80.06270	0.9
81.07063	100.0
82.07395	1.0
83.04983	7.6
83.08628	5.2
83.74741	0.8
85.06541	7.4
91.05488	39.2
93.07048	45.4
95.04978	7.7
95.08614	80.2
96.08929	1.2
97.05928	1.3
97.06542	18.4
97.10169	1.2
99.08102	9.2
103.05463	1.2
105.03411	1.5
105.07041	47.0
107.04968	2.1
107.08602	18.9
109.06522	9.1
109.10163	8.1
111.08070	7.4
111.86946	1.0
113.09667	1.4
115.05486	0.9
117.07014	4.5
118.04136	1.3
119.04961	9.4
119.08592	54.3
121.10159	18.2
123.04455	5.4
123.08076	12.2
123.11765	1.1
131.08578	1.7
133.02820	1.6
133.06465	3.5
133.10143	37.7
135.04398	1.3
135.11703	38.3
136.05161	2.3
136.11914	0.9
137.05952	1.8
137.09636	4.9
137.13245	2.5
146.03635	1.5
147.04416	13.0
151.03932	2.0
151.07581	1.5
151.11215	2.0
151.14796	1.4
161.06004	6.2
161.09654	2.1
161.13268	90.7
162.09109	2.3
162.13622	3.1
179.03423	10.4
179.06917	6.5
179.08600	4.3
179.10811	4.8
179.14325	98.9
180.06525	1.9
180.10243	2.0
180.14740	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1432
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
53.03945	4.7
55.01880	11.1
55.05319	2.2
55.05517	23.6
57.03443	16.7
57.07073	5.6
59.04983	2.8
60.09605	2.0
65.03928	4.4
67.05511	22.2
69.03414	8.9
69.07072	23.8
71.05003	6.0
72.04501	3.0
78.04723	2.4
79.05498	27.4
81.06595	3.3
81.07062	60.6
83.04979	9.9
83.08607	5.9
83.37182	2.3
85.06517	5.4
87.36415	2.2
91.05489	53.1
93.07052	50.0
95.04977	16.7
95.08617	62.8
97.06568	4.5
103.05463	2.4
105.03403	3.1
105.07040	55.5
107.08603	58.8
108.74308	1.9
109.06528	60.3
109.10165	38.7
110.06807	2.1
111.08084	9.1
117.07016	4.8
117.25359	2.0
118.04144	2.3
119.04951	38.9
119.08595	41.7
120.08089	2.3
121.06499	6.0
121.09341	3.6
121.10154	57.2
123.04420	6.6
123.08081	46.6
123.11691	11.5
124.08874	2.7
125.09628	21.3
133.02852	3.0
133.06491	8.5
133.10139	52.4
135.08002	2.9
135.11710	27.6
136.05174	3.0
137.06006	10.1
137.09650	15.8
137.13278	10.9
146.03679	3.1
147.04419	43.4
151.03912	2.6
151.07535	9.0
151.11197	9.4
159.11763	2.6
161.06006	20.0
161.09633	9.8
161.11993	4.5
161.13274	69.1
169.79755	2.6
178.07742	3.6
179.03424	17.6
179.06985	17.5
179.08543	8.9
179.10718	43.7
179.14326	100.0
180.14645	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	179.1431
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
53.03934	6.5
55.01874	10.7
55.05267	2.3
55.05515	28.1
57.03436	3.4
57.07089	2.0
60.91412	1.5
62.29502	1.3
63.93227	1.4
65.03925	6.0
66.73091	1.6
67.05511	100.0
68.05822	1.8
69.03415	4.4
69.07072	16.8
69.28154	14.4
71.04993	4.3
79.05499	67.1
79.99769	1.6
81.03428	21.9
81.07062	97.8
83.04498	2.3
83.04987	31.9
83.08611	11.5
85.06542	4.1
91.05486	58.2
93.06490	2.7
93.07049	46.9
95.04986	15.2
95.08613	79.6
96.08961	2.1
97.06542	32.2
97.10144	3.3
99.08071	2.7
105.04503	2.7
105.07044	32.8
107.08579	12.4
108.04426	2.8
109.06536	8.8
109.10158	17.0
110.06077	2.3
111.08093	7.3
112.07589	6.8
113.09637	7.7
117.07035	3.2
119.04971	8.4
119.08588	38.3
120.08069	3.2
121.06513	2.3
121.10165	7.2
123.04431	4.8
123.08057	7.3
123.11705	4.5
133.02837	2.8
133.06493	5.2
133.10127	24.2
134.06033	2.6
135.04428	1.7
135.11690	6.2
136.07635	1.7
137.09637	3.1
138.09131	2.9
140.46230	1.6
147.04440	9.3
151.03911	2.0
152.07027	2.2
161.05988	7.0
161.09576	3.3
161.13252	17.1
162.09152	12.9
164.04086	4.1
179.03401	20.8
179.06523	15.3
179.08403	3.2
179.10640	6.7
179.11830	6.3
179.14323	46.7
180.06596	5.6
180.10199	6.3
183.44620	1.4
199.03099	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0704
Annotation	(E)-Methyl-4-hydroxycinnamate
Peak:m/z	Relative Intensity
51.02386	0.9
53.03950	5.1
55.01870	2.3
55.05513	1.8
57.03442	13.2
57.07074	0.4
58.06602	0.7
65.03946	1.0
67.05505	3.1
69.03428	1.9
69.07070	1.4
71.04993	0.8
71.17199	0.6
71.51328	0.4
72.08167	0.4
76.02252	0.3
77.03931	1.7
79.05498	20.3
81.03416	1.0
81.07066	4.6
83.04993	2.2
85.02934	0.4
89.03947	0.4
91.05490	11.3
93.07049	4.7
95.04974	9.2
95.08612	3.5
97.06518	0.4
103.05463	1.0
105.03399	100.0
105.04548	2.5
105.07033	11.9
106.03722	1.0
106.06574	0.3
107.04951	0.6
107.08594	3.1
109.02893	0.5
109.06527	6.2
109.10171	3.4
112.07609	0.6
115.05470	1.1
117.07023	0.9
118.04192	0.5
118.07851	0.4
119.04956	11.0
119.08584	6.1
120.08130	0.8
121.06524	2.4
121.10164	2.9
122.07326	0.4
123.04434	19.5
123.08080	2.2
123.11711	2.3
128.06216	1.3
131.04941	0.9
131.08554	1.2
133.02866	4.1
133.06519	2.7
133.10143	9.0
135.04424	0.9
135.08101	1.7
135.11717	0.6
136.05206	0.8
136.08873	0.5
137.05983	1.9
137.09618	4.9
137.13280	0.5
143.08574	1.2
145.06439	0.5
146.07297	3.0
147.04425	16.1
151.03925	1.8
151.07555	3.0
151.11182	3.3
152.07201	0.4
161.02322	0.6
161.05920	1.8
161.09622	8.6
161.10941	0.5
161.13255	1.6
162.05569	0.4
162.09094	2.3
163.07568	1.3
164.08363	1.1
178.07767	0.4
179.03419	12.5
179.07074	14.3
179.10669	22.0
179.14270	3.6
180.10078	0.6
194.83705	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0704
Annotation	ETHYL BENZOYLFORMATE
Peak:m/z	Relative Intensity
50.09864	0.5
51.02392	0.8
53.03711	0.8
53.03949	7.0
55.01865	2.5
55.05517	1.3
57.03441	16.6
65.03945	0.7
67.05495	2.5
69.03428	1.1
71.17168	0.7
77.03925	2.2
79.05498	22.7
81.03432	1.7
81.07058	2.6
83.05006	1.3
89.03931	1.0
91.05484	7.0
93.07030	2.7
95.01321	1.0
95.04970	6.3
95.08599	1.7
103.05505	0.8
105.03397	100.0
105.07033	7.4
106.03679	1.2
107.08601	1.6
109.06531	1.6
109.10146	1.9
119.04960	6.8
119.08579	4.1
121.02789	0.7
121.06477	1.2
121.10144	2.1
123.04434	23.0
123.08061	2.2
133.02855	6.5
133.06526	2.1
133.10139	4.7
133.12425	0.5
135.04440	1.7
135.08037	0.9
136.05183	0.9
137.05943	2.7
137.09587	2.2
147.04410	9.2
151.03914	2.2
151.07570	1.8
151.11212	0.6
161.05988	1.8
161.09631	1.9
161.13304	1.0
162.09106	0.7
179.03416	20.2
179.07053	18.4
179.10609	4.0
179.14333	2.0
180.10243	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	178.1228
Annotation	mephedrone
Peak:m/z	Relative Intensity
53.03930	2.1
55.01862	2.4
55.05506	1.2
56.96570	14.8
57.03425	1.5
57.57859	0.5
58.43085	0.7
59.93097	1.1
61.02927	1.4
65.03930	1.9
67.05493	2.2
68.05048	1.0
69.03430	5.5
69.07051	0.6
71.04964	0.7
71.51608	0.7
73.02923	3.5
77.03893	0.6
77.94151	0.7
79.05492	3.4
80.05000	1.1
81.03403	2.7
81.07043	1.3
83.01331	0.7
84.08115	1.0
84.96024	2.1
85.02900	5.4
87.04434	0.7
88.02229	2.6
89.03907	1.0
90.04243	1.0
91.05489	23.5
92.05022	0.6
92.05821	1.4
93.07032	1.4
94.06563	1.0
94.07381	0.7
95.04975	2.8
95.08624	0.7
97.02903	7.7
98.97596	7.6
98.98264	0.8
98.98462	0.7
99.04430	1.0
103.05452	1.6
104.04982	1.6
105.03434	0.7
105.04475	0.8
105.07042	13.8
106.06561	0.7
107.04989	0.8
107.08584	1.3
107.35880	0.5
108.04474	1.2
108.08136	0.7
108.08936	0.6
109.02848	1.9
109.06530	1.4
110.07183	1.3
110.97592	3.8
112.99120	0.6
115.02315	0.5
115.05437	1.6
116.98595	3.8
117.05740	0.7
117.07017	2.3
118.03653	1.1
118.06556	12.2
118.96786	5.6
119.04962	13.2
119.07333	8.2
119.08206	0.6
119.08595	1.3
120.04419	0.9
120.08150	1.4
121.06488	0.8
121.10133	0.8
122.06035	1.0
122.06829	0.8
122.10477	1.0
123.04420	3.6
123.08056	0.6
124.02846	0.7
124.99102	0.8
127.02348	0.8
128.06242	1.6
128.98647	4.3
129.98837	0.6
130.06512	1.3
131.07300	0.8
132.04456	2.5
132.05470	0.5
132.08093	3.0
132.08922	0.7
133.02937	1.1
133.05038	0.7
133.06517	3.0
133.10118	1.7
133.99077	0.9
134.09660	57.9
134.99664	1.1
135.06682	5.1
135.10027	1.0
136.02075	0.6
136.03905	1.4
136.05153	0.7
136.07587	2.0
136.95390	1.0
137.05989	21.2
137.09641	0.7
138.06293	1.2
143.00163	1.4
143.04929	1.0
143.08571	0.9
144.98126	0.6
146.03391	2.5
146.99632	2.4
147.04428	8.4
150.02675	1.2
150.05389	1.1
150.09137	1.7
151.03900	2.5
151.07541	2.4
154.94174	0.8
154.96442	1.5
158.99658	0.9
160.03932	1.7
160.07594	1.8
160.11224	13.4
160.99103	1.3
161.01230	2.1
161.05997	2.0
161.09576	1.0
161.10719	0.8
162.09161	2.3
163.09888	1.1
165.99434	1.2
170.99649	1.0
172.95345	1.4
177.00725	0.6
177.98042	1.5
178.04901	7.3
178.07213	5.9
178.08699	6.6
178.12277	100.0
179.00172	3.8
179.03439	8.8
179.07146	3.9
179.10667	1.5
179.12567	2.1
181.01721	1.1
184.00407	0.7
187.04486	1.1
193.01801	1.5
196.06084	1.3
197.01266	5.7
198.01587	0.7
199.02774	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	178.0865
Annotation	5-Hydroxytryptophol
Peak:m/z	Relative Intensity
56.25795	0.2
58.00939	0.2
69.07069	0.5
71.10114	0.4
71.10448	0.3
79.05504	1.1
81.07084	0.4
85.34785	0.3
89.03947	0.7
90.04248	0.3
91.05490	1.6
92.05809	0.3
92.82066	0.3
93.07041	0.7
95.04965	0.4
95.08672	0.2
104.04990	0.5
105.07054	1.6
106.06575	0.7
107.08612	0.7
108.08922	0.3
115.05466	6.9
116.04993	0.7
117.03399	0.5
117.05754	4.0
117.07037	0.4
118.04232	0.7
118.06557	10.5
119.04948	0.6
119.08601	0.8
119.49651	0.3
120.08128	1.9
123.04452	0.3
130.06538	0.3
132.04469	23.0
132.08102	41.7
133.06516	0.5
133.08437	0.7
133.10139	0.8
135.04378	0.4
136.07550	0.3
137.05959	0.4
140.04903	1.4
142.06534	13.9
146.03664	4.5
147.04433	0.7
150.06340	0.6
150.09135	1.2
160.07591	100.0
161.06033	0.4
161.07922	2.0
161.09508	0.4
163.03918	1.1
178.06310	2.2
178.08604	8.3
179.03435	0.4
179.07132	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1638
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53365	1.1
53.03948	5.6
55.01866	1.2
55.05517	12.3
55.80804	1.0
57.07071	2.1
63.86338	1.1
65.03938	1.9
67.05507	43.3
68.05819	1.2
69.07072	12.1
69.67046	5.8
79.05497	60.5
81.03407	1.4
81.06593	2.1
81.07060	37.1
81.10938	0.9
82.72113	1.1
83.08624	10.2
88.02213	2.3
89.03929	6.8
89.04399	1.2
91.05487	20.7
93.07046	77.4
95.04977	5.2
95.08609	45.4
97.06567	1.8
97.10152	2.6
98.03253	1.2
98.06042	1.7
98.20824	1.3
98.98470	38.3
99.06372	2.7
100.34920	1.3
103.05458	1.7
105.04531	1.6
105.07029	6.7
107.04935	2.3
107.08598	41.2
109.06554	2.7
109.10168	18.8
117.03373	7.7
117.07017	4.5
119.02624	1.0
119.08593	3.6
121.06529	3.3
121.10148	100.0
122.10472	1.4
131.04919	1.6
131.08569	9.0
133.06532	1.4
133.10164	5.4
134.03583	2.2
135.04478	1.1
135.08043	2.9
135.11697	32.0
135.12723	2.0
141.07422	1.9
144.09422	1.6
145.02834	8.6
149.02310	5.6
149.06007	5.9
149.09570	3.0
149.13263	7.1
149.17535	0.9
153.93753	1.2
159.08371	4.1
159.11674	8.1
177.05455	8.4
177.06752	1.4
177.09109	6.2
177.12766	18.7
177.16391	44.6
178.08633	3.3
185.65887	1.0
186.05557	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1639
Annotation	(3E,5Z,7Z,9E)-Trideca-3,5,7,9-tetraene
Peak:m/z	Relative Intensity
51.62752	1.7
53.03935	3.9
53.40699	1.6
55.05515	17.2
57.07071	3.0
60.81758	1.8
63.45693	1.5
67.05505	11.4
69.07071	45.8
70.11252	3.2
70.11650	4.3
79.05080	2.2
79.05499	30.5
81.07063	93.7
83.08621	13.1
88.02234	3.6
89.03912	1.9
91.05492	14.4
93.06490	2.9
93.07050	53.8
93.61099	1.6
95.04993	1.9
95.08617	57.1
95.89011	1.5
97.10167	6.7
98.20933	2.6
98.21474	2.1
98.98469	23.2
103.05464	2.7
105.07043	9.5
107.08600	96.5
109.10166	22.1
117.03345	3.4
118.30307	1.6
119.08549	3.3
121.06467	3.1
121.10151	100.0
122.10394	2.1
126.90890	1.8
131.08611	4.6
133.10097	3.3
135.11705	19.9
136.08571	2.0
145.02843	4.0
146.04616	1.6
149.02353	3.9
149.06000	1.9
149.09578	1.9
149.13237	8.8
159.11707	2.4
159.87047	1.6
177.05421	5.9
177.09062	3.1
177.12770	7.0
177.16397	83.7
178.16681	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	177.1639
Annotation	(3E,5Z,7Z,9E)-Trideca-3,5,7,9-tetraene
Peak:m/z	Relative Intensity
51.02375	1.6
53.03935	4.6
55.01851	1.6
55.05275	1.1
55.05515	12.3
57.07061	2.5
65.03940	2.1
66.28307	0.9
67.05511	47.3
69.07074	11.6
69.45017	8.4
77.03944	1.3
79.05499	69.4
81.03453	1.1
81.06596	2.4
81.07066	43.6
83.04977	1.1
83.08624	10.0
86.25599	1.0
89.03912	3.0
91.05492	19.8
93.07052	83.3
94.07381	1.4
95.04979	5.1
95.08617	55.1
96.08985	1.0
97.06536	2.6
97.10144	2.4
98.20822	2.3
98.98476	28.8
99.08146	1.2
103.05450	1.7
105.04568	2.0
105.07025	10.5
107.04935	3.4
107.08603	47.9
108.08884	1.1
109.06521	1.9
109.10165	20.9
117.03401	6.2
117.07019	4.2
119.08551	3.2
121.02876	1.0
121.06546	2.7
121.10154	100.0
122.10458	1.3
131.04906	1.7
131.08554	6.8
133.10153	6.1
135.04356	1.7
135.08089	2.6
135.11708	35.7
144.09395	1.4
145.02895	5.3
149.02324	3.6
149.05972	5.7
149.09543	1.2
149.13329	5.5
159.08304	1.0
159.11690	10.3
177.05415	7.9
177.09134	3.0
177.12775	22.9
177.16397	44.2
178.08656	1.5
178.16718	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.164
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02405	0.3
52.03139	0.2
53.03940	0.5
55.01870	0.4
55.05515	3.1
57.07053	0.3
58.40981	0.2
61.35369	0.2
65.03945	0.3
67.05510	2.0
69.03434	0.4
69.07072	6.8
69.33455	1.3
69.33878	0.6
77.03906	0.3
78.04702	0.6
79.05501	3.9
81.03415	0.4
81.07066	3.4
83.08629	4.2
89.03913	0.9
91.04912	0.3
91.05487	8.2
93.07051	9.6
95.04958	0.6
95.08616	9.4
96.08920	0.3
97.10143	0.4
98.98474	2.3
103.05483	1.4
105.07034	4.0
106.04187	1.5
106.07812	0.6
107.04931	0.7
107.08602	19.4
108.08952	0.4
109.06499	0.6
109.10165	3.3
115.05461	4.2
116.06252	4.3
117.03385	1.5
117.07027	12.4
119.04946	1.5
119.06042	0.3
119.08589	2.2
121.06509	4.1
121.10152	26.5
129.07051	0.4
131.04909	0.6
131.08574	2.0
133.06500	3.4
133.10133	0.6
134.03604	0.4
134.07291	4.7
135.04332	0.3
135.08089	2.2
135.10735	0.4
135.11710	5.7
144.05710	2.6
144.09303	0.3
145.02846	1.3
145.06519	2.3
146.07271	0.3
147.04414	0.9
147.08064	0.7
149.05981	1.6
149.09630	2.4
149.13290	1.7
159.08055	0.8
159.11703	1.4
161.06009	1.4
162.03145	0.3
162.06770	14.6
163.07153	0.4
175.07516	0.3
177.05630	2.0
177.09117	100.0
177.16389	12.3
178.09494	2.6
178.16757	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1638
Annotation	(3E,5Z,7Z,9E)-Trideca-3,5,7,9-tetraene
Peak:m/z	Relative Intensity
53.03949	1.8
55.05515	12.0
57.07069	1.7
57.63671	1.0
64.39519	0.9
65.03946	1.9
67.05511	7.9
69.03434	1.5
69.07070	26.2
70.80690	3.2
71.08654	1.2
76.02570	0.9
79.05500	19.3
80.05051	1.1
81.03410	1.9
81.07061	15.3
83.08624	21.1
84.76537	1.1
88.02222	1.6
89.03901	7.1
91.05488	15.0
92.19530	1.1
93.07050	40.1
94.07391	1.0
94.90022	3.0
95.04969	2.5
95.08617	40.8
97.10157	3.9
98.98476	37.7
99.06351	2.6
100.98897	1.3
103.05427	3.4
105.04513	1.1
105.07042	11.2
106.04165	2.4
107.04943	3.2
107.08601	72.4
108.08939	1.2
109.06532	1.4
109.10171	13.1
117.03388	12.5
117.07001	3.1
118.06411	1.0
119.08585	3.9
121.06494	3.8
121.10152	100.0
129.06973	1.2
131.04909	2.1
131.08582	7.2
133.10136	2.8
134.03624	2.2
135.04428	1.7
135.08084	2.4
135.11699	18.1
135.92656	2.4
141.07448	2.1
145.02852	12.6
149.02350	6.1
149.05972	8.9
149.09605	2.3
149.13286	7.0
150.09200	1.4
151.35909	0.9
153.93678	4.9
157.49675	1.1
159.04430	1.4
159.08282	3.8
159.11691	4.1
165.17419	1.0
167.64287	1.1
168.05724	1.1
172.36539	1.0
177.04037	1.8
177.05455	11.9
177.06834	0.9
177.09055	7.8
177.12801	20.5
177.16397	64.7
178.04959	1.4
178.08629	3.0
178.12204	1.3
178.16751	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1641
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.6
55.01877	1.2
55.05515	11.4
57.07078	2.7
65.03945	1.3
67.05511	6.8
68.50810	0.8
69.07073	28.1
69.41223	2.2
69.41647	3.8
77.03921	1.0
77.34641	0.7
78.04701	2.3
78.81387	0.7
79.05499	17.6
81.03441	1.0
81.07062	14.3
83.08623	15.6
89.03934	3.4
89.41517	0.8
91.04913	0.9
91.05486	18.9
93.07051	40.1
95.04972	3.0
95.08615	32.2
97.10178	2.9
98.98484	5.6
103.05476	4.4
105.07039	12.5
106.04184	10.5
106.07831	1.0
107.04956	1.4
107.08604	77.2
108.08901	1.2
109.06522	1.4
109.10162	12.0
115.05435	2.3
116.06271	2.1
117.03410	5.2
117.07034	6.1
119.08598	5.5
121.06521	7.0
121.10152	100.0
122.10489	1.9
123.04465	1.2
124.13165	0.8
129.07056	0.9
131.04901	2.3
131.08582	5.1
133.06485	1.2
133.07550	0.9
133.10098	3.2
134.03629	2.3
134.07246	1.6
135.04427	1.0
135.08061	2.5
135.11702	22.8
144.05704	1.2
144.09352	1.7
145.02850	5.4
145.06512	1.1
147.08101	0.9
149.05986	10.0
149.09612	2.8
149.13290	6.2
159.08060	2.4
159.11687	4.0
162.03145	1.7
162.06757	4.7
177.05550	7.3
177.09120	35.1
177.12781	10.1
177.16412	48.9
178.09451	0.8
178.16725	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1641
Annotation	(3E,5Z,7Z,9E)-Trideca-3,5,7,9-tetraene
Peak:m/z	Relative Intensity
53.03943	2.6
55.01877	1.2
55.05515	11.4
57.07078	2.7
65.03945	1.3
67.05511	6.8
68.50810	0.8
69.07073	28.1
69.41223	2.2
69.41647	3.8
77.03921	1.0
77.34641	0.7
78.04701	2.3
78.81387	0.7
79.05499	17.6
81.03441	1.0
81.07062	14.3
83.08623	15.6
89.03934	3.4
89.41517	0.8
91.04913	0.9
91.05486	18.9
93.07051	40.1
95.04972	3.0
95.08615	32.2
97.10178	2.9
98.98484	5.6
103.05476	4.4
105.07039	12.5
106.04184	10.5
106.07831	1.0
107.04956	1.4
107.08604	77.2
108.08901	1.2
109.06522	1.4
109.10162	12.0
115.05435	2.3
116.06271	2.1
117.03410	5.2
117.07034	6.1
119.08598	5.5
121.06521	7.0
121.10152	100.0
122.10489	1.9
123.04465	1.2
124.13165	0.8
129.07056	0.9
131.04901	2.3
131.08582	5.1
133.06485	1.2
133.07550	0.9
133.10098	3.2
134.03629	2.3
134.07246	1.6
135.04427	1.0
135.08061	2.5
135.11702	22.8
144.05704	1.2
144.09352	1.7
145.02850	5.4
145.06512	1.1
147.08101	0.9
149.05986	10.0
149.09612	2.8
149.13290	6.2
159.08060	2.4
159.11687	4.0
162.03145	1.7
162.06757	4.7
177.05550	7.3
177.09120	35.1
177.12781	10.1
177.16412	48.9
178.09451	0.8
178.16725	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1638
Annotation	(3E,5Z,7Z,9E)-Trideca-3,5,7,9-tetraene
Peak:m/z	Relative Intensity
50.44617	1.7
53.03951	2.3
54.03477	5.6
55.05515	10.8
56.05036	2.2
63.96127	2.0
66.09516	1.8
67.05515	10.9
68.05036	4.8
69.07076	37.3
71.52784	3.3
79.05504	18.0
80.05030	2.0
81.03482	2.4
81.04558	2.4
81.07061	15.6
82.05329	3.4
83.06111	3.6
83.08633	18.2
88.02234	10.3
89.03913	3.2
91.05481	17.5
92.97805	2.2
93.04528	2.1
93.07050	50.6
95.04986	2.1
95.06093	13.5
95.08607	43.7
97.07696	2.5
97.10149	4.0
98.98479	53.7
105.07038	16.0
107.08603	88.0
108.05641	3.4
109.07662	4.9
109.10172	14.3
110.07191	2.6
111.09244	3.4
117.03413	3.9
117.07001	2.6
119.06100	3.6
119.08571	8.1
120.05618	3.1
121.06490	7.7
121.10154	100.0
121.11035	4.8
122.07161	5.1
131.08548	7.8
133.07622	2.6
133.10155	2.7
134.07178	4.1
135.06599	4.7
135.08182	2.5
135.09117	3.1
135.11708	22.8
136.07359	1.8
136.08687	14.6
137.07928	2.1
137.09514	6.4
145.02849	4.1
149.02351	8.1
149.05992	3.0
149.09612	3.4
149.13278	7.6
150.10329	3.1
159.11717	6.5
160.08659	2.9
177.05443	10.3
177.09126	7.8
177.11330	20.5
177.12793	10.1
177.16399	63.0
178.08513	3.5
178.10944	4.5
180.33601	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.164
Annotation	(3E,5Z,7Z,9E)-Trideca-3,5,7,9-tetraene
Peak:m/z	Relative Intensity
53.03942	4.3
55.01880	1.9
55.05514	14.6
57.07078	2.2
65.03946	2.1
67.05511	48.9
68.05821	1.3
69.07077	14.2
70.46175	1.1
71.50495	1.3
77.03919	1.8
79.05501	68.0
80.48812	1.1
81.07065	40.6
83.08630	7.7
88.02220	2.1
89.03903	4.7
91.05488	27.9
93.07052	94.3
95.04964	4.9
95.08615	50.9
96.05314	2.9
97.06544	2.0
97.10152	4.1
98.03232	1.5
98.06052	1.5
98.98475	43.3
99.06367	3.7
99.08126	1.6
105.04501	2.7
105.07035	9.4
107.08600	51.4
109.06532	1.7
109.10162	16.8
117.03395	9.2
117.07054	4.4
119.08595	3.3
121.06509	4.3
121.10155	100.0
131.04921	2.3
131.08571	9.5
132.08136	1.4
133.06453	1.5
133.10126	9.3
134.03624	2.0
135.04343	1.5
135.08043	3.4
135.11705	35.4
141.07419	4.8
145.02882	9.6
149.02347	5.8
149.06039	5.9
149.09621	2.7
149.13316	6.0
159.08372	6.9
159.11710	11.2
163.06239	1.5
177.05420	10.1
177.06544	1.2
177.09229	10.8
177.12773	24.4
177.16394	48.7
178.04953	2.3
178.08643	4.7
178.12349	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1276
Annotation	11,12,13-Trinor-6,9-eremophiladien-8-one
Peak:m/z	Relative Intensity
52.61441	1.0
53.03942	3.7
53.24762	1.0
55.01878	7.0
55.05519	7.2
56.96556	1.4
57.03442	2.2
59.04998	1.2
65.03926	2.2
67.05187	1.9
67.05514	25.3
69.03432	2.4
69.06738	1.2
69.07077	11.5
70.06587	1.5
71.05016	1.3
71.25677	1.9
78.04701	1.4
79.05502	32.9
81.03412	4.8
81.07063	45.3
83.04989	3.5
83.08633	6.3
85.06578	1.2
88.02229	1.8
89.03931	7.7
91.05490	42.3
92.20087	1.0
93.07056	52.6
94.06578	1.2
94.07347	1.1
94.90015	2.8
95.04983	10.8
95.06916	1.2
95.08613	15.3
96.05326	1.7
97.06530	9.3
98.03199	1.8
98.06068	2.0
98.98479	51.6
99.06363	2.5
99.08096	2.0
103.05463	4.5
105.04518	1.6
105.07039	22.6
106.04210	3.0
107.04947	3.6
107.08608	27.1
109.06523	5.9
109.10153	3.5
111.08094	2.8
112.41020	1.2
115.05457	1.2
116.99515	1.6
117.03396	9.6
117.07015	21.9
118.06573	1.6
118.82217	1.1
119.08578	7.8
121.02901	2.4
121.06539	10.0
121.10157	23.0
123.06410	0.9
123.07989	1.1
124.04705	1.3
129.07013	3.1
131.04922	3.0
131.08583	32.2
133.06482	1.6
133.10138	35.0
134.03621	3.5
135.04431	2.2
135.08087	9.4
135.11716	12.5
141.07402	3.9
142.05792	1.2
144.09338	2.3
145.02864	10.7
147.04393	1.3
149.02394	5.7
149.06004	9.6
149.09705	5.7
149.13280	17.9
153.93694	4.1
157.10092	2.3
159.08263	6.3
159.11710	47.6
162.03143	1.8
177.05443	13.5
177.06662	1.3
177.09074	11.5
177.12762	100.0
177.16264	7.7
178.04930	1.4
178.08646	4.6
178.13187	2.1
198.10765	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1276
Annotation	11,12,13-Trinor-6,9-eremophiladien-8-one
Peak:m/z	Relative Intensity
51.79837	0.9
53.03933	3.1
53.48415	0.8
55.01874	8.3
55.05513	6.2
57.03428	3.4
61.92815	0.8
65.03938	1.8
67.05510	25.5
69.03414	2.2
69.07071	8.2
70.85464	1.6
70.85802	2.0
77.03912	1.3
78.04719	1.3
79.05495	33.3
81.03438	6.1
81.07058	38.0
83.04993	4.1
83.08622	4.3
89.03915	3.5
91.05486	38.7
93.07050	54.7
95.04980	11.7
95.08613	11.5
97.06536	10.7
98.98471	16.0
99.08088	1.4
103.05460	1.9
105.04563	1.5
105.07040	25.8
106.04201	2.4
107.04966	4.1
107.08591	28.5
109.06524	4.9
109.10171	1.4
111.08060	3.7
115.05441	1.8
116.06297	1.1
117.03374	4.7
117.07018	26.5
119.08580	7.5
121.06522	8.1
121.10152	18.1
121.11028	1.1
129.07048	2.0
131.04922	1.3
131.08572	33.3
133.09119	1.8
133.10138	37.4
134.03630	0.9
135.08072	11.7
135.10735	1.0
135.11710	12.8
144.09375	1.8
145.02840	4.1
149.02330	3.0
149.05971	4.0
149.09625	7.3
149.13260	18.0
153.17351	1.2
159.04398	1.1
159.08148	1.4
159.11700	46.4
160.12021	1.7
162.03093	1.2
177.05464	7.5
177.09204	8.0
177.12755	100.0
177.16115	4.7
178.08698	1.2
178.13113	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0913
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63403	0.8
52.29904	0.7
53.03936	2.0
55.01873	3.7
55.05502	2.7
57.22025	0.7
65.03919	0.9
67.05493	3.1
68.97095	0.6
68.99803	3.9
69.03425	1.3
69.07056	2.7
69.19877	7.1
74.74595	0.6
75.52780	0.6
78.04689	1.8
79.05489	5.8
80.31473	0.9
81.03428	0.8
81.07051	3.5
83.04985	0.6
83.08608	1.0
85.47802	0.6
89.03901	1.8
91.05489	25.7
93.07049	10.1
95.04960	2.1
95.08606	4.3
95.33250	0.7
98.21536	1.5
98.98498	4.1
103.05468	3.8
105.04525	0.9
105.07050	13.2
106.04198	5.4
107.04965	35.5
107.08597	12.0
108.05304	0.8
109.06565	0.8
109.10146	3.8
111.02028	0.6
115.05453	3.7
116.06274	5.7
117.03395	2.7
117.07035	5.3
119.08601	2.4
121.06524	12.3
121.10161	9.9
123.04450	6.3
129.07033	5.7
131.04924	2.8
131.08582	55.9
132.08879	1.2
133.06526	1.1
133.10146	1.6
134.03587	1.4
135.04477	3.5
135.08038	2.2
135.11700	2.2
137.05997	0.9
141.06984	4.2
144.05714	6.4
145.02855	3.0
147.04417	0.8
147.08037	2.1
148.05199	4.8
149.05992	11.4
149.09637	10.0
159.08072	48.0
159.11656	1.2
160.08475	1.0
162.06755	5.3
169.07648	2.9
174.29668	0.8
175.07518	2.0
177.05730	4.4
177.09125	100.0
177.12521	5.5
177.16428	4.2
178.09515	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1275
Annotation	11,12,13-Trinor-6,9-eremophiladien-8-one
Peak:m/z	Relative Intensity
53.03936	4.5
55.01866	5.4
55.05521	7.4
57.03439	2.1
65.03931	1.9
67.05510	21.1
67.46140	1.5
68.05859	1.3
69.03430	2.6
69.07077	10.5
70.80135	1.5
70.80489	2.7
72.61516	1.7
78.04698	2.0
79.05499	38.1
81.03434	6.6
81.06592	2.2
81.07062	38.1
83.04979	5.3
83.08620	6.2
88.02203	2.0
89.03934	8.5
91.05484	41.3
93.07050	53.9
93.07644	2.6
95.04985	11.0
95.08614	15.6
97.06544	9.2
98.03230	1.8
98.06066	1.9
98.21513	1.2
98.98472	57.3
99.06367	2.7
100.98846	1.8
103.05473	6.4
105.04462	1.6
105.07037	28.4
106.04185	5.1
107.04954	6.5
107.08600	34.5
109.06532	5.7
109.10136	3.5
111.08092	3.4
115.05450	1.8
116.06242	2.5
116.78860	1.3
117.03387	15.0
117.07018	24.6
118.06556	1.3
119.08598	7.8
120.08150	1.5
121.02880	1.9
121.06507	13.6
121.10146	27.8
129.07037	2.2
131.04962	3.7
131.08578	32.4
131.71429	1.2
133.06502	2.2
133.10129	32.0
134.03654	2.9
135.04436	2.4
135.08069	12.3
135.11707	15.2
135.92686	1.8
141.07375	3.2
145.02850	14.7
147.53386	1.3
148.07533	1.4
149.02356	6.6
149.05971	12.7
149.09615	9.0
149.13284	14.5
153.00157	1.3
153.93718	1.7
159.04443	2.7
159.08214	6.0
159.11696	44.3
162.03137	2.5
162.06676	1.2
162.10382	1.4
172.05939	1.2
177.05440	19.0
177.06680	1.9
177.09109	18.9
177.12752	100.0
177.16284	10.2
178.04950	1.5
178.08638	4.0
178.13181	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0912
Annotation	5,6,7,8-Tetrahydro-2-naphthoic acid
Peak:m/z	Relative Intensity
53.03946	1.6
55.01861	1.7
55.05500	2.5
64.76629	0.7
64.90787	0.7
65.03942	1.4
66.75025	0.7
67.05494	2.7
68.44999	0.8
68.99780	2.4
69.03423	1.5
69.07051	2.9
70.11906	0.7
72.68358	0.7
78.04707	1.5
79.05494	4.0
81.07046	3.2
83.08632	0.7
89.03911	2.2
91.05489	24.8
92.00440	0.7
93.07050	11.3
95.04975	1.3
95.08604	4.9
98.20781	1.4
98.98491	3.4
100.69075	0.7
103.05463	3.5
105.04488	1.0
105.07029	4.2
106.04191	6.5
107.04967	33.8
107.08607	11.2
108.05300	1.1
109.06538	1.1
109.10164	3.8
110.51591	0.7
115.05465	3.7
116.06256	6.7
117.03381	3.5
117.07054	5.1
119.08585	2.0
120.81520	0.8
121.06514	12.0
121.10159	10.2
123.04443	7.7
129.07016	4.2
130.04163	0.8
131.04936	2.4
131.08578	53.0
132.08917	0.9
133.06508	2.0
133.10144	1.0
134.03650	1.8
135.04408	3.6
135.08057	2.9
135.11717	3.3
141.07034	4.1
144.05722	7.4
145.02859	3.3
147.04405	0.9
147.08063	1.5
148.05215	4.1
149.05997	13.2
149.09654	8.7
155.39864	0.7
159.08076	46.7
159.11696	2.7
160.08414	1.3
161.05988	1.1
162.03163	1.6
162.06744	5.2
166.67365	0.7
169.07663	2.1
175.07515	1.0
177.05705	4.3
177.09125	100.0
177.16466	3.7
178.09392	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0912
Annotation	cis-1,2-Dihydroxy-1,2-dihydro-8-methylnaphthalene
Peak:m/z	Relative Intensity
51.02381	0.2
53.03953	0.3
55.05502	0.3
65.03934	0.2
67.05499	0.3
69.03398	0.2
69.07065	0.6
77.03925	0.2
78.04706	0.3
79.05479	0.9
81.07041	0.4
83.08617	0.4
89.03910	0.3
91.05486	4.6
93.07070	1.7
95.08598	0.9
98.98458	0.6
103.05470	0.9
105.07036	1.6
106.04145	0.3
106.07823	0.6
107.08596	2.2
109.10152	0.5
115.05471	4.7
116.06250	3.9
117.03387	0.4
117.07027	12.1
117.19933	0.2
118.07297	0.2
119.04928	1.9
119.08577	0.8
120.05720	0.2
121.06514	3.1
121.10159	2.1
129.07034	0.4
131.08551	0.5
133.06505	3.1
134.07281	3.8
135.08067	2.3
135.11713	0.4
136.97989	0.2
144.05711	2.4
145.06526	1.7
146.07300	0.4
147.04391	0.8
147.08025	0.4
149.05977	0.6
149.09605	1.0
159.07997	0.3
159.36240	0.3
160.48575	0.2
161.05983	1.5
162.06767	14.7
170.69766	0.2
175.07568	0.4
177.09114	100.0
177.16338	1.2
178.09491	2.1
180.50870	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0914
Annotation	cis-1,2-Dihydroxy-1,2-dihydro-7-methylnaphthalene
Peak:m/z	Relative Intensity
51.02392	0.2
53.03945	1.1
55.01868	0.8
55.05523	1.7
57.07077	0.3
65.03947	0.6
67.05500	1.0
67.56812	0.3
69.03442	0.8
69.07079	3.4
70.53273	0.8
75.30291	0.3
77.03951	0.4
78.04719	1.3
79.05503	2.7
81.07076	2.6
83.04975	0.3
83.08643	1.7
87.75050	0.3
89.03936	1.4
89.09034	0.3
91.05498	8.7
93.07060	7.0
95.04976	1.1
95.08624	4.9
96.48413	0.3
97.10184	0.5
98.98486	2.3
103.05481	1.7
105.07052	3.1
106.04191	4.0
106.07841	0.6
107.04971	0.8
107.08615	9.6
109.06520	0.5
109.10143	1.8
115.05478	4.7
116.06259	3.3
117.03405	1.7
117.07034	14.5
117.27494	0.3
118.07349	0.5
119.04942	1.9
119.08625	1.3
121.06529	5.9
121.10164	12.1
121.11049	0.6
129.06992	0.6
131.04910	0.4
131.08588	2.4
133.06520	3.4
133.10144	0.7
134.03673	0.8
134.07292	4.4
135.08086	2.4
135.11720	3.1
144.05739	2.6
144.09357	0.6
145.02850	2.2
145.06519	2.1
147.04416	1.0
147.08089	0.5
149.02350	0.3
149.05992	3.2
149.09659	2.0
149.13275	0.9
159.08090	0.8
159.11678	1.7
161.06009	1.7
162.03156	0.6
162.06790	13.5
163.07227	0.4
175.07565	0.7
177.05801	3.9
177.09135	100.0
177.16393	5.3
178.09500	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	176.0111
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.6
55.01868	1.5
56.96560	5.5
57.03444	7.4
60.04530	1.7
60.05642	2.2
61.02909	2.5
63.25806	1.1
66.96342	1.3
67.05491	2.0
68.05023	1.4
69.03439	8.2
70.06594	7.1
71.01373	6.8
71.04992	5.4
71.06924	4.9
71.49251	2.5
72.08159	4.5
73.02916	5.1
81.03414	4.4
81.07023	1.4
82.99836	2.2
83.05002	1.7
84.02459	1.2
84.04524	1.9
84.08126	1.5
85.02904	7.3
86.01495	2.5
87.04476	4.2
90.01534	1.3
93.51976	1.2
94.02694	2.4
94.06598	2.3
97.02898	11.2
98.06073	3.1
98.97591	16.6
99.01938	1.4
99.04475	2.3
101.00871	11.2
102.00954	6.7
102.02451	1.3
103.00646	2.3
103.02467	2.7
103.03162	2.2
103.53268	1.0
104.02554	5.0
105.02143	2.5
109.02950	1.2
110.97589	2.0
111.02098	1.3
112.03739	5.2
112.07635	2.9
112.53809	2.4
112.99130	1.3
113.00887	7.4
113.02369	1.1
114.05542	1.4
115.02419	2.6
116.02532	2.8
116.07100	2.9
116.98643	4.3
119.01936	11.1
120.01908	5.6
121.01652	3.1
121.04250	6.6
127.04092	1.5
128.02393	1.4
128.98671	1.3
129.03117	1.7
129.04007	2.1
130.09778	4.4
130.12262	2.6
131.01909	10.4
131.03554	1.2
132.02121	100.0
133.02597	1.4
133.03458	5.9
134.03603	14.0
134.08212	1.4
135.03255	2.4
138.03339	2.3
139.02458	1.3
140.07043	2.3
143.01897	4.1
145.01575	1.3
145.03468	3.7
146.03641	4.4
146.99660	1.2
147.04018	2.3
147.05019	2.7
149.02934	2.1
151.04497	1.3
152.04578	3.1
153.00334	2.8
153.04103	1.7
154.03508	4.5
155.01900	2.1
157.03468	4.1
158.03571	2.6
158.08147	5.1
158.99721	2.8
159.03288	1.6
160.09708	1.4
171.01419	13.0
171.05045	6.5
172.05009	1.3
173.02998	1.8
176.01097	22.5
176.04665	21.6
176.09171	3.8
176.10466	2.7
176.12822	3.4
177.04314	4.6
184.63429	1.1
189.02365	1.4
189.06117	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1483
Annotation	Ionene
Peak:m/z	Relative Intensity
52.75603	0.6
53.03958	0.8
55.05517	8.0
57.07087	0.8
59.59115	0.5
65.03954	0.8
67.05505	2.5
69.07074	23.4
69.29480	4.1
69.29896	1.2
74.68737	0.6
75.19175	0.6
79.05495	3.5
81.07064	7.6
83.08630	4.2
89.01978	0.6
91.05486	12.8
93.07055	4.8
95.08609	5.7
98.98483	4.9
103.05484	1.0
104.06239	0.7
105.07040	31.6
106.07381	0.5
107.08614	6.1
110.75335	0.5
115.05450	3.1
117.07025	4.9
118.07779	0.6
119.08592	100.0
120.08842	1.5
120.74911	0.6
121.10172	2.2
128.06213	0.7
129.07001	1.8
131.08566	5.1
132.05716	0.7
133.10143	84.2
134.10551	1.8
135.11734	0.7
142.07773	1.2
144.05724	0.7
145.10129	7.4
146.10933	1.9
147.08084	1.2
147.11707	11.8
157.10136	1.3
158.11102	0.6
159.11630	0.8
159.85791	0.7
160.05191	2.2
160.12462	4.4
173.13284	2.6
175.07581	4.7
175.11407	5.4
175.14839	96.6
176.15193	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	175.1483
Annotation	Ionene
Peak:m/z	Relative Intensity
53.03947	1.2
54.81405	0.7
55.05515	7.6
57.07092	1.1
59.83914	0.7
67.05513	2.2
69.07076	23.3
70.55328	1.8
70.55692	1.1
72.54030	0.7
73.76428	0.6
79.05500	2.7
81.07060	6.3
83.08633	4.6
84.28562	0.7
91.05485	11.7
93.07049	3.7
95.08625	6.5
98.21436	0.7
98.98487	4.2
103.05454	1.0
105.07046	30.1
107.04982	0.9
107.08614	6.1
111.24821	0.7
115.05457	2.2
117.07014	4.4
119.08594	93.4
120.08942	0.8
121.10143	2.8
124.07573	0.7
128.06232	1.2
129.06972	1.0
131.08571	3.9
132.05731	1.4
133.10144	78.8
134.10504	2.1
135.11693	0.7
142.07747	0.8
145.10139	8.4
146.10905	1.4
146.13669	0.7
147.08076	0.7
147.11713	11.9
159.11655	1.0
160.05165	1.3
160.12489	4.7
172.73105	0.8
173.13367	3.5
175.07585	3.9
175.11284	2.5
175.14842	100.0
176.15182	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	175.1482
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.0
55.05513	9.1
57.07063	0.8
67.05502	3.6
69.06734	1.5
69.07073	20.8
70.62977	2.0
79.05497	3.7
80.77361	0.8
81.07066	10.9
83.08608	3.2
85.59443	0.8
91.05492	16.0
93.07056	7.3
95.08629	9.0
98.06039	1.0
98.98484	9.6
103.05460	1.7
104.06297	0.9
105.07044	39.0
107.08605	7.2
115.05459	1.6
117.07016	5.1
119.08594	97.0
120.08871	1.2
121.10126	3.0
129.06987	2.1
131.08586	9.5
132.05743	1.1
132.09361	0.9
133.10144	100.0
134.10478	2.3
135.11652	1.1
142.07776	3.3
145.06496	1.6
145.10126	9.2
146.10851	1.0
147.08046	2.9
147.11708	19.3
157.06528	0.9
157.10150	2.9
158.08122	1.5
159.11684	1.5
160.05164	1.9
160.08781	1.2
160.12517	4.6
173.13313	2.4
175.07460	4.7
175.11276	10.8
175.14842	92.6
176.15186	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	175.1483
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	1.2
55.01879	1.0
55.05513	8.4
57.07063	1.2
59.99548	0.7
65.03918	0.8
65.23702	0.7
67.05168	0.6
67.05509	3.8
69.03444	1.1
69.07071	22.4
69.39050	5.2
70.06599	0.8
70.07410	0.8
72.70074	0.7
79.05495	5.1
81.07054	14.8
83.08617	5.1
85.49523	0.6
91.05485	17.0
93.07034	6.8
95.04974	0.7
95.08608	11.5
98.21546	1.4
98.98471	17.4
103.05495	1.2
104.06219	1.7
105.07036	42.1
107.04960	1.0
107.08599	9.7
115.05465	5.2
117.07024	6.4
119.08586	100.0
120.08920	0.8
121.10140	2.1
126.23121	0.8
128.06262	1.4
129.07008	4.9
131.05003	0.8
131.08572	8.2
132.05728	3.9
132.09296	1.1
132.96848	0.7
133.06516	3.1
133.10133	78.2
134.10507	0.9
137.63287	0.7
142.07765	3.1
143.05043	0.9
144.09309	0.9
145.06493	2.7
145.08199	0.7
145.10133	7.7
146.10889	2.1
147.08032	5.5
147.11694	15.5
157.06493	1.9
157.10107	4.2
158.10889	1.0
159.11702	1.3
160.05220	7.7
160.08759	1.5
160.12550	3.4
161.06003	6.8
173.13274	2.5
175.06078	0.9
175.07576	14.9
175.11253	9.3
175.14835	86.9
176.08244	2.6
176.11528	0.9
176.15181	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	175.1484
Annotation	Ionene
Peak:m/z	Relative Intensity
53.03937	1.3
55.05518	10.8
57.07082	1.1
66.33623	0.9
67.05498	3.5
69.07073	22.7
70.86139	2.1
79.05493	4.3
81.07063	11.8
83.08613	3.6
91.05489	17.9
92.00849	1.0
93.07046	6.8
95.08628	8.8
98.98477	4.8
105.07046	38.9
106.07300	1.1
107.08586	7.4
115.05453	1.8
117.07064	5.9
119.08594	100.0
121.10155	2.7
129.06990	1.1
131.08618	6.3
132.09319	1.5
133.10141	76.9
134.10455	1.6
145.10127	9.7
146.10930	2.1
147.08076	1.7
147.11705	13.7
157.10155	1.9
159.11586	1.1
160.12491	3.9
173.13290	3.0
175.07596	1.7
175.11458	4.8
175.14841	99.3
176.15115	1.7
189.03221	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1484
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17283	0.6
53.03952	1.0
55.05521	7.0
60.54420	0.6
63.95748	0.6
67.05515	2.5
69.07076	24.1
70.04972	2.6
72.48314	0.7
79.05508	3.7
81.07056	6.3
83.08618	4.4
91.05488	11.7
93.07035	4.2
95.08614	6.6
98.98458	2.0
103.05468	1.4
105.07040	31.9
107.08596	6.9
115.05428	1.3
117.07010	4.3
119.08591	90.6
120.08918	2.2
121.10150	1.9
129.06993	1.5
131.08582	6.1
132.09332	0.6
133.10144	81.9
134.10490	1.9
135.11743	1.5
142.07761	1.0
145.10156	8.4
146.10898	1.4
147.08078	1.2
147.11684	14.0
157.10135	1.4
160.05200	1.0
160.12476	3.5
173.13283	3.3
175.07674	3.1
175.11282	2.7
175.14842	100.0
176.15298	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	173.1326
Annotation	1,1,5-trimethyl-1,2-dihydronaphthalene
Peak:m/z	Relative Intensity
54.73251	0.8
55.01863	1.4
55.05513	10.0
57.07067	1.5
59.04997	1.5
60.53662	0.8
67.05524	4.6
69.03432	1.5
70.04854	1.5
70.05254	1.7
70.07380	1.2
71.04979	0.9
72.93795	5.0
79.05473	2.4
81.03409	0.9
81.07059	4.5
83.04987	9.6
90.94827	3.2
91.04980	1.3
91.05486	15.0
93.07057	1.4
95.04957	0.9
95.08604	1.6
98.21455	1.0
99.04473	0.8
101.06030	6.3
101.24361	0.8
103.03292	1.3
103.05445	1.1
105.07032	16.8
107.08612	1.0
111.04465	10.5
113.06003	0.9
115.05441	5.5
116.06233	4.8
117.07019	13.0
119.07794	0.6
119.08585	14.2
127.07538	1.6
128.06183	3.4
129.05479	2.0
129.06996	14.2
130.07806	7.3
131.08572	78.5
132.08891	1.7
132.95868	1.2
133.10123	4.2
140.45618	0.8
143.08563	27.1
144.09383	7.7
145.06479	3.4
145.10129	43.6
149.96144	1.8
153.06950	1.0
155.06123	0.8
155.07205	6.9
155.08359	6.6
156.09377	1.1
157.10136	1.3
158.07289	11.8
158.10915	37.2
159.11557	1.9
171.11632	2.2
173.02368	1.9
173.04587	1.1
173.05949	1.9
173.08177	8.5
173.09636	20.1
173.13268	100.0
174.13593	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1192
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45390	0.3
53.03966	0.8
55.01873	3.1
55.05519	2.1
56.05020	0.4
56.35428	0.3
56.96572	25.9
57.03443	7.6
58.06596	0.4
58.99875	1.8
59.04994	0.9
60.05655	33.4
60.95869	1.0
61.02935	4.0
67.01868	0.7
67.05506	1.2
68.05009	0.5
68.99802	0.7
69.03078	0.8
69.03434	9.7
69.07067	0.5
69.69387	0.7
69.69795	1.6
70.06598	100.0
70.98129	4.6
70.99859	1.3
71.01360	4.9
71.05000	4.3
71.06921	0.8
71.95274	1.5
72.08160	6.7
72.96041	0.8
73.02919	5.8
74.06057	0.4
74.97623	1.8
75.01925	0.8
75.04485	0.5
77.00906	1.4
79.02163	0.9
79.05508	0.4
80.01095	0.4
81.03431	3.9
82.99866	1.7
83.00806	0.9
83.01335	1.5
83.04987	1.9
84.02448	0.5
84.04515	0.5
84.08151	9.5
84.08632	0.7
84.96028	2.1
84.99602	0.4
85.01416	6.1
85.02190	0.5
85.02319	0.5
85.02906	8.5
85.06559	0.7
86.06071	1.2
86.97617	0.5
87.00803	0.5
87.01913	0.3
87.04480	3.1
88.02693	1.1
88.07661	0.8
88.99149	2.0
89.00818	1.2
89.06036	0.5
91.02393	0.4
91.05487	1.3
92.01252	0.6
94.02684	1.5
95.01334	0.7
95.04961	0.6
96.01582	0.7
97.01399	1.2
97.02292	0.9
97.02883	8.3
97.07648	0.6
97.96792	0.6
98.06048	0.7
98.21483	0.7
98.97593	17.4
98.98475	11.3
99.04482	2.0
100.02647	0.7
101.00892	19.5
101.01575	0.8
101.02377	1.3
102.01000	1.4
102.01608	0.8
102.02412	2.3
102.52509	0.7
103.00654	2.9
103.02467	15.6
103.03186	2.2
104.01347	0.4
104.02506	0.6
104.07128	1.1
105.02147	0.8
105.07032	0.8
106.01070	0.4
106.01955	0.5
106.02707	0.5
107.01772	0.8
107.02501	0.4
107.08598	0.5
107.51673	0.5
108.01548	0.6
108.02383	0.6
109.02897	1.5
110.01317	0.6
110.02165	1.2
110.03160	0.5
110.97578	4.2
111.02109	0.9
111.02962	1.3
111.04455	0.9
111.52985	0.8
112.01019	0.5
112.03732	3.8
112.07588	2.5
112.08723	3.6
112.53864	0.4
112.99136	1.1
113.00895	2.7
113.02406	3.0
113.07143	0.9
114.00947	0.8
114.02401	0.5
114.10266	0.6
114.97018	0.6
115.00604	1.3
115.02448	6.2
115.03182	0.7
115.03974	1.6
115.08705	0.8
116.07104	26.1
116.98633	8.2
116.99456	0.7
117.02170	0.7
117.02945	0.7
117.04034	0.9
118.01000	0.5
118.01939	0.5
119.01927	37.3
119.04889	0.6
119.08586	1.7
120.02022	1.9
120.02698	0.6
120.03388	0.5
120.34921	0.4
121.01674	5.7
121.03472	5.7
121.04263	3.9
124.01895	0.7
124.03736	0.8
124.95461	1.8
127.02412	2.9
127.03941	2.4
128.02330	1.1
128.98608	4.1
129.00328	0.8
129.01869	2.7
129.03021	1.2
129.03995	1.1
129.05498	0.7
129.10249	1.0
129.95471	0.4
130.08659	4.3
130.09770	13.9
130.10747	0.8
130.12277	2.0
131.00218	0.7
131.01906	6.7
131.03470	0.4
131.04526	0.5
132.02049	1.2
132.04446	0.4
132.98079	1.5
133.01729	3.4
133.03476	26.2
133.10115	1.7
134.00447	0.5
134.03586	1.2
134.08163	0.5
134.99663	2.1
135.03122	0.6
135.04984	0.4
136.03766	0.4
137.02960	7.8
137.93977	0.4
138.03482	0.6
139.02477	0.9
139.03951	0.6
140.02391	0.5
140.07098	0.8
140.98543	0.5
141.03993	0.5
142.03493	0.5
142.96536	2.7
143.00137	0.9
143.01921	3.2
144.02031	0.9
144.98044	0.6
144.99744	0.6
145.01649	1.4
145.03476	11.3
146.03571	1.3
146.99690	2.4
147.01422	3.0
147.03108	2.2
147.05043	1.6
149.01198	0.5
149.02962	1.2
150.99109	2.7
151.02667	0.9
151.04533	7.3
153.00354	0.9
154.00990	0.5
154.54794	0.4
155.01852	0.8
156.02019	0.7
156.98044	1.8
157.01567	0.8
157.02165	0.6
157.03477	8.4
157.04776	0.6
157.06583	0.6
157.10857	1.1
158.03680	0.8
158.06042	0.8
158.08046	1.0
158.09253	7.6
158.99657	0.9
159.01347	0.5
159.03252	0.8
159.05086	0.6
160.97585	1.5
161.01259	1.2
161.02969	5.1
162.03079	1.1
162.99135	0.4
163.02740	2.1
163.04440	2.5
165.00629	0.7
168.02040	0.5
169.00153	0.4
169.03484	0.7
171.01392	5.2
171.05037	1.3
173.01216	0.6
173.02916	1.4
174.03128	0.6
174.99240	5.0
175.00807	0.7
175.02736	2.7
175.04535	31.9
175.11928	19.2
175.14685	2.1
176.04707	1.6
176.10388	1.2
177.00757	0.6
179.02304	0.6
179.03998	1.0
181.05606	0.4
185.02956	1.7
186.03120	1.3
187.02707	1.0
187.04434	0.9
189.00699	0.9
189.02367	1.0
189.06081	0.5
193.00220	4.0
193.01939	0.8
193.03844	0.8
193.05580	1.3
193.07274	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1328
Annotation	1,1,5-trimethyl-1,2-dihydronaphthalene
Peak:m/z	Relative Intensity
53.03959	1.2
55.05517	7.2
57.07082	1.1
59.05005	0.7
65.03959	0.7
67.05511	4.1
70.63448	0.9
70.63789	1.0
72.93810	2.9
79.05505	4.2
81.07063	9.1
83.04975	6.9
83.07212	0.4
89.02423	0.8
90.90386	0.8
90.94837	2.3
91.04905	0.8
91.05488	15.7
93.07042	4.6
95.04930	0.6
95.08652	1.2
101.06039	4.2
103.03313	0.5
103.05492	1.1
105.07040	19.7
107.08617	1.3
111.04460	6.2
115.05464	4.2
116.06244	2.2
117.07029	16.9
117.07870	0.9
119.08594	15.8
127.07529	1.1
128.06245	1.9
129.05504	1.0
129.07018	11.6
130.07802	5.6
131.08583	75.6
131.93019	0.7
132.08952	1.2
133.10155	2.4
141.07146	0.6
142.07829	0.9
143.08572	16.6
144.09367	12.3
145.06490	2.3
145.10136	60.9
146.10466	1.8
149.94131	0.6
149.96144	1.1
154.41873	0.5
155.06030	0.6
155.07057	3.7
155.08374	0.9
156.09364	0.9
157.10165	1.3
158.07300	2.6
158.10928	22.7
167.97070	0.5
171.11664	2.4
173.04497	1.2
173.05922	1.2
173.08174	6.4
173.09669	5.2
173.13277	100.0
174.13614	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1326
Annotation	1,1,5-trimethyl-1,2-dihydronaphthalene
Peak:m/z	Relative Intensity
53.03951	1.2
55.05515	19.2
55.93524	1.3
56.96569	0.8
57.03449	1.2
57.07065	1.2
59.04994	3.1
65.03919	0.8
65.55251	0.7
67.05515	5.9
69.03425	1.0
69.07063	1.1
69.44031	5.0
70.95863	2.3
72.93793	25.8
72.94204	1.4
73.02924	0.7
76.02248	0.7
79.05493	5.1
81.07069	5.8
83.04982	16.5
84.08128	1.1
87.04465	2.0
89.02404	1.8
89.94058	1.4
90.90388	0.9
90.94278	1.4
90.94833	23.5
91.05482	15.0
93.07035	3.5
95.05000	1.1
95.08592	0.9
98.97594	0.7
99.04492	1.2
99.15840	0.6
101.06026	11.0
103.05450	1.2
105.07030	13.9
107.08578	1.6
108.95863	2.4
110.06036	0.8
111.04449	19.9
111.98507	2.3
113.06008	2.3
113.96403	2.3
115.05460	2.8
116.06249	4.0
117.07032	10.5
118.06556	0.7
119.07809	1.4
119.08591	16.1
127.07560	2.6
128.06238	2.8
129.05453	3.0
129.07010	12.0
130.06668	0.7
130.07791	4.9
131.08577	84.5
131.96140	1.8
131.97432	1.1
132.08926	1.1
132.95831	6.7
133.10130	3.1
137.05992	0.8
141.01828	0.8
142.07751	0.8
143.08571	22.5
144.09375	7.9
145.06491	2.6
145.10129	37.3
146.06049	0.8
149.96135	11.4
149.97229	1.3
150.96950	4.5
155.06009	0.9
155.07059	11.4
155.08385	0.8
155.97467	1.0
156.06593	0.8
156.09383	2.1
157.10100	1.3
158.07312	1.6
158.10924	34.8
167.97206	4.7
171.11700	2.4
172.97704	0.9
173.04532	0.8
173.05893	1.4
173.08159	14.0
173.09705	2.4
173.13274	100.0
174.13599	2.9
176.41280	0.7
178.73294	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1327
Annotation	1,1,5-trimethyl-1,2-dihydronaphthalene
Peak:m/z	Relative Intensity
53.66862	0.6
55.05513	8.5
57.03442	1.1
57.07064	2.7
59.04992	3.2
65.03923	0.9
67.05512	7.8
69.03413	0.7
69.07056	3.2
69.40528	6.0
71.04978	3.0
72.93784	1.9
73.06554	1.3
76.43226	0.7
79.05466	2.3
81.07050	4.0
83.04986	5.3
83.08604	2.4
85.06532	2.7
87.04419	1.1
90.94814	1.6
91.05478	10.5
93.07020	0.9
95.04992	0.8
95.08577	1.8
98.20733	1.4
101.06043	5.0
105.07035	11.2
109.10158	7.3
111.04438	9.8
113.06005	3.2
115.05458	4.1
116.06232	2.8
116.48792	0.7
117.07023	9.4
117.07780	1.2
119.08582	14.3
127.07630	1.2
128.06229	3.5
129.05510	1.1
129.07016	10.5
130.07805	4.1
131.08572	59.3
132.07047	0.7
132.08890	0.8
133.10143	3.4
142.07771	1.3
143.08565	31.6
144.09349	8.3
145.06479	4.5
145.10135	33.3
149.96111	0.7
155.07048	4.0
155.08459	1.7
155.10736	1.0
156.09344	2.3
157.10095	1.8
158.07300	4.7
158.10924	41.3
159.08052	1.7
171.11684	3.0
173.04433	1.1
173.05945	2.0
173.08159	6.9
173.09665	7.5
173.13274	100.0
174.10260	1.2
174.13599	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	173.1329
Annotation	1,1,5-trimethyl-1,2-dihydronaphthalene
Peak:m/z	Relative Intensity
53.03962	1.1
55.05523	7.7
57.07078	2.4
59.05004	1.2
67.05516	3.5
68.05060	0.6
69.07063	0.6
71.02661	1.2
71.06115	0.6
71.83156	0.5
72.93803	0.8
79.05498	3.4
81.07069	3.5
83.04993	5.7
87.04482	0.9
89.02438	0.5
90.90395	1.5
90.94844	1.0
91.05497	18.0
93.07065	3.6
95.04966	0.8
95.08640	1.7
96.04454	0.6
97.02895	0.6
99.04465	0.6
101.06035	4.0
103.03309	1.6
105.07053	10.1
107.08617	1.0
111.04457	8.1
113.06043	0.9
115.05468	2.4
116.06268	2.6
117.07035	17.3
118.06569	0.7
118.07381	0.5
119.08617	5.5
127.07591	0.8
127.09519	1.4
128.06223	0.9
129.05492	1.9
129.07030	6.1
130.07829	2.2
131.08592	100.0
132.08974	1.7
143.08574	2.3
144.08267	0.6
144.09378	2.5
145.03941	0.5
145.06546	0.5
145.10153	18.7
149.94055	1.0
155.07069	6.1
156.06583	0.9
158.10919	2.9
171.11716	1.5
173.04555	0.8
173.08315	7.8
173.09917	1.3
173.13293	68.8
174.05594	0.5
174.07597	0.7
174.12643	0.9
174.13803	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1326
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.9
55.05509	9.0
57.07073	1.5
59.05006	1.3
67.05509	3.6
69.07079	0.7
71.51336	0.6
72.93782	2.5
76.02222	1.0
79.05493	4.1
81.07057	3.2
83.04985	8.6
85.02887	0.6
85.06556	0.7
87.04434	0.6
89.02366	0.7
90.90385	2.4
90.94830	1.2
91.05483	18.0
93.07054	3.4
94.59446	0.5
95.04991	0.9
95.08607	1.5
98.98454	0.7
99.04456	0.6
101.06019	7.3
103.03290	1.8
103.05450	1.0
105.07037	12.3
107.08600	0.9
110.06067	0.6
111.04441	10.6
113.05991	0.9
114.05554	0.8
115.05460	2.5
116.06252	2.3
117.07024	16.7
119.08607	4.3
120.67599	0.6
127.07577	1.0
127.09492	1.2
128.07053	0.7
129.05498	3.2
129.07004	7.2
130.07793	2.8
131.08569	100.0
131.92952	0.8
132.08969	1.9
133.10110	0.8
143.08554	3.1
144.09360	3.0
145.06467	0.8
145.10127	18.1
149.94046	2.1
149.96048	0.6
155.07053	6.3
156.06544	0.9
158.06181	0.7
158.10909	4.1
171.11708	1.7
173.04491	1.4
173.08276	10.0
173.13266	68.7
174.07562	1.5
174.09016	0.6
174.12643	1.1
194.68233	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1326
Annotation	1,1,5-trimethyl-1,2-dihydronaphthalene
Peak:m/z	Relative Intensity
53.03951	0.9
53.83637	0.7
54.55602	0.7
55.01882	1.0
55.05514	17.1
55.93542	0.8
57.07079	2.2
59.04999	2.7
61.13569	0.7
66.70169	0.5
67.05184	0.9
67.05497	4.1
69.07104	0.7
70.80018	2.1
71.06107	0.9
72.93800	5.8
74.30431	0.6
74.99418	0.5
76.02219	1.6
79.05499	4.1
81.07058	4.7
83.04985	16.2
84.04507	1.0
87.04486	1.3
89.02396	1.1
90.90382	4.1
90.94827	4.2
91.05490	18.0
93.07043	4.3
95.04986	0.8
95.08630	1.5
96.04498	2.0
99.04467	1.5
101.06030	11.7
101.32861	0.6
103.03289	2.9
103.05457	0.9
105.07040	12.8
107.08600	1.2
108.95873	1.0
111.04450	18.9
113.06007	2.3
113.96429	0.8
114.05540	1.3
115.03945	1.0
115.05477	2.7
116.06247	2.5
116.99958	0.6
117.06232	1.2
117.07026	18.2
119.08594	6.1
127.07544	1.9
127.09519	1.2
128.06256	1.2
129.05518	5.1
129.06990	8.4
130.07794	3.2
131.08575	100.0
131.92998	2.5
132.08987	2.0
133.10120	1.0
143.08559	6.1
144.09343	2.6
145.06479	2.0
145.07591	1.2
145.10130	22.4
149.94075	3.8
149.96127	1.2
155.03510	1.1
155.07054	12.0
155.08334	0.8
156.06578	1.1
158.07375	0.7
158.10922	5.9
161.93503	0.7
167.97173	1.7
171.11690	1.2
172.95670	1.0
173.04501	2.5
173.05916	1.3
173.08234	17.5
173.13272	73.6
174.07664	1.5
174.12830	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	171.1018
Annotation	Isoboonein
Peak:m/z	Relative Intensity
53.03939	1.6
55.01867	2.6
55.05269	1.1
55.05517	13.4
57.03451	4.6
57.07058	0.9
59.04993	2.0
65.03943	7.7
67.05511	71.2
69.03423	3.4
69.07075	20.9
69.68253	0.7
70.94259	1.0
71.00412	1.9
71.04999	4.0
72.04525	4.1
72.08157	7.3
73.02933	4.3
79.05502	42.4
80.05830	1.3
81.07066	33.0
83.01339	3.4
83.04988	15.6
83.08611	3.5
84.08144	2.0
85.06530	2.5
86.02431	1.1
86.09713	11.0
87.00822	1.2
87.04478	1.6
89.07157	3.7
91.05488	11.5
93.03396	4.6
93.07059	9.1
95.04954	1.6
95.08592	3.4
97.06539	5.7
97.10148	2.8
99.08096	1.0
104.03469	12.1
105.07044	5.4
107.04945	2.1
107.08604	100.0
108.08921	2.5
109.06535	4.4
109.10175	18.8
111.04451	38.0
111.08074	6.9
112.04745	1.1
112.07590	3.9
115.05440	2.7
116.03452	3.9
116.14388	0.8
117.07019	1.5
119.06062	1.0
125.09653	12.6
126.09148	1.4
128.06229	11.3
129.07018	4.8
130.07793	0.9
135.08067	7.1
135.11667	1.3
139.03894	3.4
141.07022	6.7
142.07780	2.8
143.08585	17.2
143.11777	1.1
153.09120	28.9
153.12735	1.1
154.08632	1.4
154.32172	0.8
155.08578	1.7
156.03728	2.8
156.09357	28.6
171.04332	1.0
171.06236	2.2
171.07990	5.0
171.10173	6.7
171.11699	21.8
171.14938	3.4
172.07605	1.0
172.09756	4.3
179.84731	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	170.0813
Annotation	(-)Arterenol
Peak:m/z	Relative Intensity
53.03941	2.7
54.28687	1.5
55.01880	9.0
55.05513	9.2
55.93534	3.9
56.05037	2.9
56.96568	18.9
57.03443	3.2
60.95861	1.4
65.00331	1.5
65.01155	1.3
65.03949	11.7
66.04301	2.1
67.05503	7.2
68.05035	3.6
68.05856	1.7
68.99802	7.6
69.03435	7.1
69.07076	4.8
70.06595	15.1
70.11607	6.6
70.94264	2.4
71.01351	2.1
71.04993	6.1
72.04524	5.0
72.08147	4.8
79.05501	23.0
80.05014	4.0
81.03417	5.7
81.07064	17.5
82.02937	2.1
82.03721	2.1
82.06595	10.9
82.07391	2.0
83.01340	1.6
83.04992	10.6
84.04510	7.5
84.08146	4.7
85.02910	5.7
85.06564	1.7
87.04475	2.7
88.95306	3.5
88.96874	2.0
89.07170	3.0
91.05493	4.5
92.05019	5.1
93.03402	3.1
93.05791	8.6
93.07062	3.5
94.06577	2.2
95.01330	2.8
95.04987	4.2
96.01655	4.4
96.04502	6.4
96.05292	4.7
96.08134	37.8
96.08792	2.2
97.02908	6.1
97.06542	5.1
98.06058	5.6
98.20818	1.9
98.97596	5.2
99.04443	1.8
100.07636	3.6
105.07008	1.6
106.06575	10.0
106.07230	1.9
107.04961	7.3
107.08585	2.0
108.05279	1.5
108.08923	1.5
109.02896	3.8
109.06529	5.1
110.03250	4.8
110.06051	85.4
110.97574	1.9
111.00783	2.9
111.03715	3.1
111.04448	43.4
111.08084	3.8
112.01150	3.4
112.04763	3.6
112.07639	3.4
113.64961	1.4
114.05534	2.5
114.09223	2.1
115.05444	2.0
116.21651	1.4
116.98589	5.1
119.01841	1.9
121.02900	2.2
121.03997	3.7
121.06509	5.9
123.04478	1.5
124.03983	1.8
124.04775	5.4
124.07599	100.0
124.11229	4.9
124.12093	1.6
125.06006	7.5
126.03139	2.8
126.05372	1.3
126.09166	2.2
127.03963	4.8
128.06218	3.3
128.07100	12.2
128.95090	7.2
128.98601	5.4
129.07048	1.8
129.10291	4.8
130.54449	1.7
134.03201	7.6
134.05991	7.1
135.04466	1.6
136.49538	1.4
139.00304	2.1
139.03915	35.2
141.05473	5.0
142.05823	20.3
142.08635	20.8
143.08578	3.5
144.05000	1.6
146.96143	4.3
146.97420	3.9
146.99641	2.9
147.03212	1.8
152.04424	3.6
152.07069	59.6
152.10736	1.9
153.01817	1.9
153.05458	3.7
155.03409	9.6
155.08522	4.8
156.09373	4.9
157.01299	1.7
158.99660	1.8
161.01334	1.7
170.05577	10.7
170.08147	84.9
170.09676	21.3
170.11819	10.3
171.06490	4.1
171.07913	3.4
171.11720	4.0
181.03401	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.1018
Annotation	Boonein
Peak:m/z	Relative Intensity
51.78497	0.6
55.01868	2.2
55.05518	8.2
57.03448	5.1
59.04993	1.2
65.03944	5.6
67.05512	77.1
68.05839	0.6
69.03408	1.5
69.07079	6.9
70.82050	1.7
71.04996	1.6
72.04525	3.1
73.02923	7.9
77.03922	0.7
79.05502	49.3
80.05856	0.8
81.07067	46.4
83.04988	8.7
83.08626	1.0
84.08113	0.6
85.06555	0.7
86.09715	2.7
87.51063	0.7
89.07151	1.9
91.05498	10.3
93.03426	3.9
93.07056	5.5
95.04977	2.2
95.08599	1.5
97.02910	2.4
97.06546	2.9
97.10162	1.3
104.03484	1.7
105.07052	5.9
107.04974	2.3
107.08607	100.0
108.08923	2.3
109.06541	2.4
109.10166	20.3
111.04456	37.0
111.08102	2.9
112.04765	0.8
112.07629	1.2
115.05507	0.8
117.07039	2.8
119.06042	1.2
125.06001	1.3
125.09650	12.7
128.06239	3.7
129.07018	1.3
135.08076	13.8
139.03908	0.8
141.07033	2.6
142.07724	1.4
143.08582	6.1
143.10707	0.6
153.09125	53.3
154.09531	0.8
155.08524	0.8
156.09367	14.0
171.04453	1.1
171.07971	2.2
171.10205	26.1
171.11726	9.6
171.14960	1.3
172.09708	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.1225
Annotation	(6E)-8-Oxogeraniol
Peak:m/z	Relative Intensity
53.03938	3.4
55.01857	3.6
55.05512	15.5
55.76056	1.8
57.03423	6.3
57.07077	24.5
59.04991	7.8
60.54160	1.4
65.03931	4.5
67.05508	50.5
68.99810	1.4
69.03435	48.7
69.07072	21.9
69.34691	4.6
69.35120	7.3
71.04996	33.8
71.08654	1.6
71.57307	1.4
72.08147	1.6
73.06532	2.2
79.05486	14.9
81.03413	6.5
81.07061	87.3
83.04986	23.0
83.08617	6.3
85.02928	8.0
85.06547	100.0
91.05488	6.9
93.07053	12.4
95.04977	17.1
95.08608	32.6
97.06551	10.1
97.10172	1.6
99.04456	8.0
99.08090	3.8
105.07027	11.9
107.04935	1.5
107.08601	18.5
109.02887	13.9
109.06525	28.9
109.10162	80.1
111.00784	4.5
111.04482	2.3
111.08086	26.9
113.06012	14.7
121.10154	28.3
123.00771	3.2
123.04453	3.6
123.08077	31.0
123.11707	80.2
124.07583	1.9
124.12051	3.4
125.05956	1.6
125.09613	7.4
126.03189	7.1
126.09132	1.5
133.10156	7.2
139.11188	26.9
141.05513	11.1
141.06992	7.6
151.07527	4.1
151.09975	2.4
151.11191	38.3
152.07077	2.6
153.07018	2.6
154.07777	5.7
157.95511	1.4
169.04973	5.4
169.07556	9.4
169.10075	14.1
169.12241	80.3
170.08109	2.8
170.09509	1.6
189.84572	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.1226
Annotation	(Z)-Isogeranic acid
Peak:m/z	Relative Intensity
53.03939	3.3
55.01877	2.4
55.05525	10.2
57.03431	1.8
57.07080	8.3
59.04996	6.1
65.03938	4.4
67.01869	2.0
67.05513	27.3
68.99797	1.8
69.03435	4.2
69.07077	18.9
69.61809	5.1
69.62230	4.1
70.06619	1.8
70.07420	1.4
71.05003	39.4
71.08640	1.6
78.69850	1.2
79.05501	16.1
81.03448	8.4
81.07063	100.0
82.07367	1.4
83.04987	8.3
83.08614	3.1
85.02889	2.0
85.06566	4.1
91.05499	6.5
93.03416	2.2
93.07053	10.6
95.04977	11.5
95.08614	15.3
96.08112	1.7
97.06557	6.4
98.21422	2.5
99.04469	4.2
99.08101	6.9
105.07034	9.1
107.08613	17.1
109.02869	11.2
109.06542	14.3
109.10165	32.4
111.00788	7.4
111.04455	4.2
111.08068	9.0
113.06046	1.7
121.10145	1.6
123.04441	10.8
123.08065	7.1
123.11716	44.1
124.07581	5.0
125.05978	4.0
126.03158	11.7
127.03925	3.7
127.07545	4.2
133.02850	1.6
133.10139	9.2
139.11217	9.4
141.05479	31.7
141.06955	7.3
151.03915	12.9
151.07556	6.0
151.11208	13.5
152.07121	1.9
152.10703	6.6
153.07018	1.7
154.02655	1.4
154.07796	8.5
155.08528	1.6
167.08517	1.4
169.05008	29.4
169.06419	3.1
169.07399	6.6
169.08749	3.5
169.10037	16.6
169.12247	9.8
170.05363	2.0
170.08162	1.5
171.57693	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.1225
Annotation	(4R,7R)-4-Isopropenyl-7-methyl-2-oxo-oxepanone
Peak:m/z	Relative Intensity
53.03938	3.0
53.32732	0.8
55.01682	0.8
55.01881	7.5
55.05281	1.2
55.05519	20.2
56.96533	1.1
57.03426	1.6
57.07061	1.3
59.04986	2.4
65.03931	2.6
67.05512	32.2
69.03419	1.6
69.07079	4.6
69.19346	8.1
70.06594	2.0
71.01362	6.2
71.05001	9.3
79.05077	1.0
79.05505	14.9
81.03426	3.1
81.07068	52.3
83.04981	2.7
83.08163	0.9
83.08627	9.3
85.02906	1.7
85.06545	2.2
91.05495	15.5
92.44221	0.7
93.05772	1.9
93.07069	6.1
93.82285	0.7
95.04960	2.9
95.08624	6.2
96.08112	1.6
97.06529	1.8
97.10180	1.4
98.06042	0.9
98.21517	2.0
99.04483	1.7
105.07049	10.7
107.08612	7.0
109.02874	2.5
109.06521	3.0
109.10169	5.4
110.06061	1.0
111.00793	1.0
111.04448	3.1
111.08070	2.1
113.06073	0.9
123.04469	2.7
123.08070	1.4
123.11716	7.7
124.07576	2.4
126.03131	3.1
127.03938	1.3
127.95459	0.9
129.06998	0.8
133.02824	1.0
133.06316	0.8
133.10136	3.2
141.05466	6.0
141.07004	5.5
142.08630	1.8
151.03917	1.8
151.11214	1.1
152.07111	2.3
153.07036	2.0
154.07811	5.7
163.97707	1.1
164.02074	0.9
168.56798	1.0
169.05052	4.1
169.07599	1.9
169.10194	8.5
169.12260	100.0
170.08151	3.7
170.09662	3.0
170.12653	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.1226
Annotation	(6E)-8-Hydroxygeranial
Peak:m/z	Relative Intensity
53.03950	3.8
55.01873	9.0
55.05515	14.8
57.03439	4.7
57.07084	12.7
59.05018	16.2
65.03938	4.5
66.85006	1.7
67.05193	2.5
67.05517	39.9
68.05029	1.7
69.03442	11.3
69.07080	21.2
70.06589	2.1
70.61855	1.7
70.62182	4.4
71.01360	4.0
71.05004	29.3
75.25838	1.7
79.05506	23.3
81.03418	7.6
81.07071	100.0
83.04999	8.4
83.08617	6.3
85.02910	3.7
85.06561	14.5
87.04478	2.9
91.05495	12.0
93.03421	2.8
93.07054	23.9
95.04984	20.5
95.08073	2.7
95.08625	41.3
97.06535	11.7
97.10197	2.5
98.03688	3.1
99.04480	12.8
99.08099	3.8
105.07047	20.4
106.04174	1.8
107.08615	20.9
109.02893	12.2
109.06533	32.5
109.10180	56.3
110.06075	2.5
111.00822	8.9
111.04429	4.0
111.08101	92.6
113.06009	6.1
121.10130	11.9
123.04428	5.6
123.08086	26.4
123.11725	65.8
124.07587	3.0
124.12113	2.1
125.05989	2.6
125.09644	14.9
126.03149	13.7
127.07568	2.7
133.10159	12.5
136.37970	1.6
138.10425	9.8
139.11191	12.3
141.05482	28.9
141.06982	5.7
151.03889	3.5
151.07529	5.6
151.11214	37.4
152.07072	2.2
153.06946	1.7
154.07823	10.4
169.05051	13.0
169.06400	3.7
169.07549	13.3
169.10045	13.1
169.12257	42.2
170.08197	3.9
170.09673	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	169.0497
Annotation	DHMAL
Peak:m/z	Relative Intensity
53.03940	2.8
54.44996	0.8
55.01869	3.7
55.05512	5.0
56.96549	1.1
57.03439	1.3
57.07073	2.0
58.16090	0.8
59.04992	2.9
65.03945	5.1
66.58509	0.9
67.01875	4.2
67.05508	13.5
68.99787	8.2
69.03435	4.1
69.07072	5.1
70.06593	1.8
70.67717	2.1
71.04997	10.5
72.08154	2.1
72.48634	1.0
79.05504	5.4
81.03415	10.4
81.07060	27.8
81.16899	0.8
81.65602	0.8
83.04997	5.0
84.04568	1.0
85.02920	3.0
85.06541	1.8
91.05496	2.1
93.03415	2.1
93.07040	4.6
95.01340	1.0
95.04971	10.0
95.08613	6.8
97.02901	3.3
97.06529	2.6
98.03662	3.3
99.04431	2.7
99.08099	1.5
105.07047	3.5
107.08611	5.5
109.02885	24.9
109.06530	6.8
109.10152	9.6
110.06056	1.0
111.00812	24.8
111.04444	6.1
111.08099	7.6
113.06036	1.9
119.42509	0.8
121.10152	1.3
123.00827	1.8
123.04440	33.4
123.05344	1.9
123.08110	5.9
123.11711	11.9
124.03934	0.9
124.07578	1.8
125.05977	2.4
125.09641	1.0
126.03141	34.4
127.03918	12.9
132.19409	0.8
133.10155	2.1
137.02373	1.9
139.11211	1.3
141.05473	82.7
142.05867	1.1
151.03909	44.6
151.07550	2.4
151.11182	4.4
153.07033	1.1
154.02625	5.2
154.07771	4.2
155.03384	3.5
169.04977	100.0
169.07555	4.6
169.10030	7.6
169.12254	3.3
170.05577	2.9
170.08104	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1432
Annotation	beta-fenchocamphorone
Peak:m/z	Relative Intensity
53.00312	1.3
53.03932	5.6
55.01860	3.3
55.05514	43.1
56.96543	3.3
57.03433	7.2
57.07070	4.7
59.04990	2.1
61.46407	1.2
65.03924	3.6
66.04700	1.5
67.05509	50.1
69.03424	2.8
69.07072	98.5
71.04997	12.4
71.50487	1.7
78.04718	19.3
79.05495	35.5
80.05022	1.4
80.21412	1.2
81.03410	1.8
81.07060	68.6
83.04974	6.2
83.08623	89.7
85.06550	9.3
91.05499	11.7
93.03413	1.4
93.07048	53.7
93.07639	2.5
95.04971	5.5
95.08611	19.1
96.04488	1.8
96.05730	2.1
97.06536	22.6
97.10160	5.4
99.08081	3.5
103.00620	1.2
105.03438	1.6
105.04523	1.6
105.07011	4.4
106.04189	5.7
107.04942	3.7
107.07879	2.8
107.08598	50.0
109.02867	2.6
109.06528	5.0
109.10170	6.0
111.04452	2.0
111.07375	2.1
111.08086	27.8
116.44029	1.1
121.01695	1.4
121.02876	3.5
121.06542	3.4
121.08420	1.4
121.10143	22.2
122.03688	1.6
123.04435	31.0
123.08073	2.1
123.11725	7.0
124.05251	9.0
125.06011	1.7
125.09634	6.0
131.08574	1.4
133.31693	1.4
134.03618	2.6
135.04405	1.4
139.03831	1.3
139.07582	2.3
149.02333	6.4
149.09654	2.8
149.13266	77.4
150.13625	2.4
151.03922	7.5
152.04706	5.8
152.06223	13.2
164.58589	1.2
165.07002	11.7
166.07623	3.9
167.03450	7.0
167.07048	100.0
167.08562	26.6
167.10529	5.7
167.14322	59.3
168.07443	3.4
168.10147	2.1
185.16850	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1432
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.7
55.01858	0.9
55.05513	6.0
57.03443	0.8
57.07060	1.6
59.04993	1.5
64.03130	0.8
65.03931	1.8
67.05512	9.9
69.03438	1.7
69.07076	8.6
70.06549	1.1
71.04997	10.1
71.12087	0.6
71.52251	1.0
73.06546	4.2
77.03922	1.0
78.04720	16.0
79.05070	1.2
79.05495	13.5
81.03414	1.4
81.07064	14.1
83.04996	1.2
83.08620	2.7
85.06545	1.0
88.84861	0.8
91.05490	5.5
93.03426	0.8
93.07043	14.7
95.04966	3.5
95.08611	28.9
97.06532	3.2
105.03401	2.0
105.04472	0.9
105.07027	2.5
106.04197	7.5
107.04965	6.6
107.08604	21.2
109.02850	1.5
109.06520	1.7
109.10153	10.0
111.08087	2.1
120.02090	0.8
121.01698	1.0
121.02839	1.6
121.06486	1.9
121.10130	9.9
122.03669	2.1
123.04438	28.6
123.08067	0.8
123.11713	3.2
124.05235	8.4
125.06025	1.1
125.09590	1.8
134.03661	1.6
135.04462	1.2
137.05966	1.0
139.07516	1.3
149.02354	2.3
149.09644	1.6
149.13260	6.7
151.03929	6.5
152.04688	6.6
152.06126	1.1
167.03354	2.1
167.07051	100.0
167.10707	2.0
167.14267	4.2
168.07368	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0704
Annotation	Apocynin
Peak:m/z	Relative Intensity
53.03933	1.5
55.01859	0.8
55.05500	1.3
65.03937	0.8
66.04703	0.9
67.05508	1.8
69.03424	0.6
69.07051	0.8
69.98487	0.9
69.98902	1.0
71.04980	0.5
77.03909	0.5
78.04716	17.1
79.05492	5.2
81.03398	1.1
81.07061	2.5
83.05009	0.5
85.02888	0.8
85.74092	0.4
91.05452	2.3
93.03437	0.7
93.07045	3.9
94.04180	1.4
95.04954	2.8
95.08604	1.0
96.05732	1.2
97.06542	0.6
105.03384	1.1
105.04520	1.0
105.07021	1.1
106.04180	7.9
107.04990	2.2
107.08630	2.9
109.02865	1.2
109.06522	1.0
109.10142	0.7
111.04420	0.4
111.08080	0.8
111.88946	0.4
120.02087	0.4
121.01593	0.4
121.02895	0.5
121.06519	2.3
121.10161	3.3
122.03642	1.5
123.04435	27.8
123.08028	0.9
123.11694	0.6
124.05231	7.3
125.06084	0.5
125.09676	0.4
131.08534	0.4
134.03645	1.9
135.04414	1.5
137.02356	0.4
137.05966	1.6
139.03893	0.6
139.07547	0.6
149.02371	0.8
149.05960	1.3
149.09592	1.9
150.03094	0.4
151.03914	6.5
152.04681	6.5
167.07045	100.0
167.10750	1.7
168.07381	1.7
187.61078	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1433
Annotation	beta-fenchocamphorone
Peak:m/z	Relative Intensity
53.03946	3.4
55.01880	1.1
55.05267	1.1
55.05514	12.6
57.03426	2.2
57.07090	3.2
57.56365	0.6
59.05011	3.7
65.03938	2.1
66.04718	1.5
67.05511	22.6
69.03427	3.3
69.07073	16.5
71.05000	24.1
71.08640	0.8
71.51944	1.3
71.58305	0.6
72.48361	0.6
73.06563	11.0
77.03948	0.7
77.20291	0.8
78.04723	15.6
79.05499	20.2
79.05968	1.0
80.31774	0.7
81.07062	30.3
82.07417	0.8
83.04971	2.7
83.08628	7.2
85.06536	2.5
87.08099	1.6
87.68026	0.6
91.05478	8.3
93.03413	1.1
93.07053	32.5
94.04162	1.5
95.04964	4.4
95.08615	71.7
96.05739	1.9
97.06536	5.1
97.10165	1.6
105.03397	1.8
105.04503	0.9
105.07053	5.6
106.04171	7.3
107.04985	6.0
107.08606	35.6
108.08878	1.0
109.02886	1.7
109.06504	3.1
109.10159	18.0
109.61610	0.7
111.04458	0.8
111.08083	4.5
114.40089	0.7
121.01699	1.1
121.02876	1.9
121.06513	2.1
121.10154	19.3
122.03645	1.6
123.04441	28.7
123.08079	1.9
123.11716	6.6
124.05239	8.6
125.06003	0.7
125.09636	2.5
131.08562	0.8
134.03656	2.9
135.04440	1.8
137.02394	0.8
137.05991	1.5
139.07556	1.7
149.02333	3.6
149.06021	1.2
149.09616	2.3
149.13263	18.3
150.05554	0.7
151.03906	5.1
152.04704	5.8
152.06139	1.4
165.07056	1.1
167.03362	2.5
167.07060	100.0
167.10739	2.2
167.14310	8.4
168.07507	1.4
182.06154	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0704
Annotation	Apocynin
Peak:m/z	Relative Intensity
51.02369	0.5
53.03938	1.5
55.01870	0.6
55.05495	0.5
57.03431	0.3
57.75299	0.3
65.03934	0.9
66.04713	0.7
67.05499	0.9
69.07068	0.7
70.06583	0.3
70.55666	0.8
70.56019	0.4
77.03922	0.6
78.04717	16.6
79.05074	0.5
79.05499	5.1
81.03423	0.5
81.07041	1.5
83.04974	0.8
85.02946	0.4
91.05467	1.1
93.07040	1.2
94.04183	1.2
95.04971	2.5
96.05743	1.0
97.06517	0.6
105.03419	1.1
105.04521	0.8
105.07014	0.6
106.04179	8.0
107.04984	3.3
107.08604	0.7
109.02878	1.5
109.06509	0.7
111.04428	0.4
119.22783	0.4
120.02096	0.3
121.01680	0.9
121.02853	0.9
121.06522	0.9
121.10110	0.7
122.03667	2.2
123.04434	27.4
123.08047	0.5
124.05249	7.3
125.05897	0.4
134.03653	1.6
135.04457	1.1
137.02339	0.5
137.05988	1.2
139.07614	0.4
144.03258	0.5
149.02353	1.5
149.05994	0.5
150.03102	0.5
151.03923	5.2
152.04686	5.0
167.07051	100.0
168.04221	0.5
168.07436	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	167.0705
Annotation	Apocynin
Peak:m/z	Relative Intensity
52.03170	0.6
53.03938	1.3
55.01866	0.4
55.05512	0.4
55.27758	0.3
61.48329	0.3
65.03938	1.2
66.04717	1.2
67.05497	1.3
68.99789	0.7
69.03420	0.4
69.57594	2.7
71.04995	0.8
73.02923	0.4
77.03937	0.8
78.04720	19.6
79.05068	0.6
79.05493	4.0
81.03417	0.8
81.07048	1.5
83.04996	0.5
91.05482	1.6
92.02633	0.5
93.03407	0.9
93.07043	1.4
94.04179	1.0
95.04977	3.1
96.05751	1.3
105.03379	1.5
105.04514	0.6
106.04198	8.0
107.04991	2.9
107.08582	0.8
109.02885	1.9
109.06552	0.6
120.02059	0.6
121.02876	5.8
121.06515	1.0
121.10159	0.9
122.03675	1.4
123.04443	31.4
124.05240	7.5
134.03595	1.8
135.04408	0.8
135.08145	0.4
137.02315	0.6
137.05984	1.5
139.07578	0.4
149.02399	0.7
149.05988	1.0
149.09602	0.8
151.03909	6.0
152.04706	6.3
167.07054	100.0
168.07367	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	167.0705
Annotation	Apocynin
Peak:m/z	Relative Intensity
51.02366	0.5
52.03167	0.5
53.00311	0.3
53.03947	1.6
55.01872	0.5
55.05513	0.5
65.03941	1.1
66.04720	1.1
67.05512	0.8
68.99775	0.5
69.62235	1.5
71.05003	0.4
73.02856	0.3
77.03945	0.8
78.04720	14.8
79.05074	0.5
79.05502	4.6
81.03422	0.5
81.07050	0.9
83.04963	0.6
91.05488	1.6
93.03441	0.7
93.07052	2.0
94.04192	1.2
95.04958	2.5
95.08591	0.5
96.05765	0.9
97.06570	0.5
103.00645	0.4
105.03409	1.6
105.07040	0.6
106.04200	6.7
107.04968	2.2
107.08581	0.9
109.02897	1.5
109.06529	0.9
111.04465	0.4
111.08153	0.6
119.04928	0.4
120.02100	0.5
121.02882	6.8
121.06532	1.7
121.10162	1.2
122.03630	1.3
123.04445	28.3
123.08088	0.5
124.05240	7.3
125.63323	0.3
134.03648	1.8
135.04442	1.0
137.02373	0.6
137.05986	0.9
139.03879	0.4
139.07542	0.5
149.02342	1.0
149.05977	1.8
149.09602	0.5
150.03154	0.7
151.03922	5.9
152.04710	5.2
164.01418	0.3
167.07060	100.0
168.07452	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	166.0865
Annotation	Tricaine
Peak:m/z	Relative Intensity
51.02378	0.4
51.72394	0.2
53.03710	0.3
53.03951	3.9
55.01868	0.5
65.03941	0.5
66.04736	0.2
67.05497	0.6
69.03404	0.2
69.63517	1.4
73.02912	0.3
77.03930	1.3
78.04734	1.8
79.05502	0.8
81.03426	0.4
81.07052	0.3
82.06622	0.2
83.04961	0.2
91.05486	0.9
92.05822	0.6
93.07053	1.0
94.06578	0.4
95.04987	3.7
95.07378	0.3
95.08601	0.4
96.08128	0.3
97.06580	0.4
105.03403	100.0
106.03659	1.7
107.04990	0.3
107.08587	0.4
108.04492	0.5
108.08115	1.0
109.02847	0.2
109.06544	0.2
109.10153	0.2
110.06047	1.0
110.09686	0.8
119.04968	0.4
120.02007	0.5
120.05230	0.5
120.08123	2.1
121.02892	2.3
121.06513	0.5
121.10155	0.3
122.03696	0.3
123.04443	3.6
124.05216	0.8
124.07599	0.4
136.07617	0.5
137.08383	0.7
138.05481	0.3
138.09140	2.3
143.03621	0.4
143.08707	0.2
148.04793	0.8
148.07571	2.5
148.08540	0.2
149.02962	0.2
149.06001	7.8
149.09625	0.2
151.03947	0.6
152.04684	0.7
166.03563	0.2
166.05042	0.6
166.06400	0.2
166.08614	6.2
167.07060	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	167.0704
Annotation	Veratraldehyde
Peak:m/z	Relative Intensity
53.03934	1.1
65.03928	0.6
66.04720	1.4
67.05492	0.6
69.07047	0.6
70.62155	0.7
77.03935	0.8
78.04716	15.7
79.05073	0.4
79.05496	3.5
81.03423	0.7
81.07060	1.0
91.05484	0.9
93.03404	0.6
94.04186	1.1
95.04980	2.0
96.05753	1.4
105.03398	1.4
105.04561	0.5
105.13148	0.4
106.04178	7.3
107.04954	1.4
109.02880	1.1
121.02848	0.4
121.06454	0.5
122.03644	2.3
123.04438	29.8
124.05243	6.4
134.03624	1.8
135.04407	1.2
137.02332	0.5
137.05975	1.2
144.03311	0.4
149.02307	0.4
150.03131	0.5
151.03923	5.3
152.04704	6.0
167.07050	100.0
168.04227	0.6
168.07384	2.3
168.34651	0.4
179.61044	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1276
Annotation	exo-Norbicycloekasantalal
Peak:m/z	Relative Intensity
53.03945	3.6
55.01881	6.3
55.05515	10.7
57.03439	13.3
57.07074	1.5
61.02922	2.0
63.55806	0.9
65.03928	3.0
67.05510	47.2
68.05836	0.8
68.09210	0.8
69.03436	11.5
69.07074	10.7
69.30856	0.8
70.90441	1.6
70.90743	0.8
71.04983	3.0
73.02918	1.0
77.03918	0.8
79.05499	37.8
79.63425	0.9
81.03419	2.2
81.07064	82.4
82.07372	1.5
83.04989	16.4
83.08617	1.4
85.02898	2.4
85.06538	4.7
88.03803	0.8
89.86909	0.8
91.05489	50.3
93.07052	45.4
95.04970	12.6
95.08612	26.3
97.06537	10.8
99.04462	2.8
99.08081	1.3
101.00880	3.3
103.05484	1.9
105.07040	77.8
107.04935	0.9
107.08600	24.7
109.06525	17.2
109.10168	9.7
111.04465	1.2
113.53863	0.9
117.07034	2.5
119.01929	8.0
119.04949	9.4
119.08591	59.9
120.08927	1.4
121.06541	1.8
121.10154	61.9
122.07302	3.2
122.10482	0.9
123.04439	0.9
123.08082	10.4
123.11720	8.9
124.02482	0.9
129.05482	2.5
133.02834	1.6
137.02959	1.7
137.06000	2.9
137.09621	13.3
137.13263	2.2
140.05782	0.9
142.03516	7.1
145.10089	1.3
147.04425	16.5
147.11699	100.0
148.12029	2.4
165.05539	2.0
165.07028	7.5
165.09109	21.8
165.12766	86.1
166.13124	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1277
Annotation	exo-Norbicycloekasantalal
Peak:m/z	Relative Intensity
53.03951	1.5
55.01872	2.8
55.05512	5.9
57.03440	6.5
57.07078	2.1
61.02908	1.2
65.03936	1.5
67.05509	12.5
69.03432	6.6
69.07067	5.0
69.55348	3.3
71.04990	1.6
71.08641	1.3
73.98638	0.6
77.03939	0.6
79.05502	8.0
81.03416	1.4
81.07064	20.3
83.04985	5.8
83.08614	2.0
85.02900	2.0
85.06535	0.8
91.03957	0.8
91.05485	16.7
91.06028	1.2
93.07047	12.3
94.04218	0.8
95.04980	8.2
95.08611	15.0
97.06538	1.4
99.04453	2.3
101.00905	2.7
103.03963	1.6
103.05476	1.1
105.03387	1.1
105.07040	12.4
107.04951	1.8
107.08607	11.9
108.05735	0.6
109.02892	0.9
109.06527	21.2
109.10168	14.1
110.07336	1.1
111.04436	1.1
111.57008	0.6
117.07018	1.9
117.56805	0.6
119.01943	3.7
119.04951	5.9
119.08588	22.7
120.08123	1.2
121.06512	2.0
121.10151	21.2
122.07297	7.8
123.04440	2.4
123.08070	13.0
123.11682	4.7
129.05484	1.2
129.06984	0.6
133.02864	2.0
135.08060	2.9
137.03008	0.6
137.06099	3.6
137.09625	100.0
137.13252	2.2
138.09982	1.9
142.03508	3.1
147.04419	12.6
147.08060	1.1
147.11696	8.8
148.02174	2.2
148.12146	0.6
150.10426	4.3
165.01862	0.8
165.05489	3.2
165.06964	1.2
165.09119	12.5
165.10402	1.0
165.12769	38.1
166.04938	0.6
166.08635	0.9
166.13210	0.9
179.89380	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	166.0864
Annotation	L-Phenylalanine
Peak:m/z	Relative Intensity
56.96565	0.4
60.84548	0.2
64.26925	0.2
71.44647	0.3
72.31596	0.1
79.05502	1.5
91.05492	0.9
91.05968	0.1
93.07049	2.6
95.04988	0.2
98.97586	0.4
99.45837	0.1
103.05470	11.1
104.05814	0.2
107.04969	2.6
118.06532	0.2
120.08109	100.0
121.08449	2.2
129.78651	0.2
131.04924	2.2
149.05984	0.5
166.08678	1.2
167.07086	0.2
179.78358	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	165.1276
Annotation	Jasmone
Peak:m/z	Relative Intensity
53.03936	3.5
54.46601	1.1
55.01874	6.7
55.05515	17.1
57.03439	17.5
57.07074	10.2
59.05001	1.9
61.02921	4.0
61.06529	1.1
62.63940	0.9
65.03932	6.0
67.05507	62.3
68.05830	1.4
68.99773	1.8
69.03430	20.5
69.07076	14.7
71.04996	23.7
71.08643	3.4
71.51042	1.5
73.02923	1.9
77.03918	1.9
79.05491	25.5
80.05020	1.5
81.03425	7.1
81.07059	68.4
81.93070	1.0
82.99839	1.5
83.04982	13.3
83.08617	3.5
85.02898	6.4
85.06544	3.0
85.10192	2.0
90.67999	1.0
91.03953	2.2
91.05485	52.9
92.05822	1.0
93.06480	2.1
93.07047	31.7
94.06544	1.7
95.01302	1.2
95.04971	28.9
95.07352	2.7
95.08610	87.0
96.08114	1.9
96.08951	1.4
97.06538	3.0
99.04463	8.1
101.00896	8.6
103.03958	3.2
103.05462	5.8
103.36916	0.9
105.03410	2.0
105.04530	1.2
105.07037	39.7
107.04956	3.7
107.08598	27.1
108.05801	1.0
108.08169	1.6
108.08875	1.4
109.02872	2.7
109.06526	25.3
109.10159	100.0
110.09674	5.5
110.10407	2.0
111.04448	4.5
117.07023	3.9
119.01927	18.7
119.04952	42.7
119.06791	1.3
119.08584	43.5
120.08116	10.4
120.08880	1.7
121.06490	5.3
121.10148	20.1
122.03669	1.5
122.07311	4.3
122.10504	1.3
123.04446	6.2
123.08065	24.1
123.11707	44.3
124.02506	1.3
124.12064	1.0
127.07536	1.3
129.05489	4.1
130.06439	1.1
133.02872	6.7
133.06514	2.4
136.07616	1.9
136.08835	2.9
137.02953	3.1
137.06001	10.4
137.08002	1.7
137.09621	32.8
137.13271	3.7
138.09106	2.2
142.03508	11.9
147.04419	72.7
147.08046	12.5
147.11700	22.8
148.04837	1.2
160.04553	2.5
165.01859	3.0
165.05484	10.3
165.06985	5.3
165.09100	29.4
165.11433	2.7
165.12781	55.0
165.16377	12.9
166.05026	1.8
166.08572	4.9
166.13173	1.6
180.58148	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1276
Annotation	Jasmone
Peak:m/z	Relative Intensity
50.62838	1.3
53.03941	4.1
55.01865	3.7
55.05515	12.2
57.03442	10.5
57.07079	7.0
59.04993	2.9
61.02940	1.9
65.03929	4.1
67.05505	53.0
68.05845	1.4
69.03430	22.1
69.07076	12.6
70.81551	4.9
71.04997	4.3
73.02937	1.9
79.05489	22.3
81.03418	4.1
81.07063	44.0
83.04985	15.8
83.08599	4.1
85.02910	2.6
85.06519	2.1
91.05479	31.9
91.06360	1.6
92.05801	1.6
93.07044	15.3
95.04373	2.9
95.04975	50.4
95.08610	41.8
96.08607	1.4
99.04456	2.4
101.00870	4.4
103.05455	3.8
105.03390	1.7
105.07041	21.9
107.04961	8.9
107.08601	49.6
108.05733	2.3
108.08906	2.4
109.06525	34.1
109.09456	2.7
109.10154	23.2
111.04459	2.1
116.28428	1.4
117.07035	6.6
119.01926	5.4
119.04946	9.2
119.08589	60.4
120.08102	5.4
120.08920	2.0
121.06506	4.2
121.10154	14.5
122.07307	14.3
123.04405	1.9
123.07206	2.9
123.08080	47.9
123.11719	31.4
129.07024	3.1
131.59500	1.4
131.74318	1.3
132.05728	4.4
133.02856	2.5
133.06573	1.6
135.08052	2.0
136.08797	1.6
137.06003	4.3
137.07991	2.4
137.09628	47.3
137.13275	9.5
139.53610	1.8
142.03493	4.3
147.04391	16.6
147.06952	2.4
147.08060	24.4
147.11702	13.6
150.65230	1.6
165.05557	3.6
165.07054	2.1
165.09126	89.8
165.12759	100.0
166.09587	1.7
166.13123	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	165.1277
Annotation	Jasmone
Peak:m/z	Relative Intensity
53.03952	8.1
53.72070	1.8
54.91639	1.7
55.01879	13.2
55.05274	1.7
55.05514	25.0
57.03444	31.9
57.07079	7.4
59.05007	4.0
61.02922	7.3
65.03946	7.3
67.05511	61.7
69.03435	38.3
69.07070	17.1
69.52071	4.5
69.52478	6.0
71.04997	24.7
71.08627	1.8
73.02922	5.4
73.11397	1.6
77.03934	3.8
79.05502	67.7
81.03439	8.4
81.07063	88.1
83.04987	23.5
83.08627	3.7
85.02427	2.0
85.02905	14.2
85.06534	4.8
91.03944	4.3
91.05489	78.4
92.05831	2.0
93.06486	3.2
93.07054	45.4
94.04176	2.3
95.04980	28.1
95.08615	72.0
97.06521	4.6
97.10181	1.6
98.97591	2.6
99.04467	14.7
101.00892	17.1
103.03970	7.2
103.05461	6.1
104.06240	3.3
105.03385	3.0
105.04539	2.7
105.07040	62.4
107.04945	6.6
107.08598	46.3
109.02882	2.2
109.06532	33.4
109.10165	56.7
111.04438	6.6
111.08060	2.0
113.24519	1.6
117.07041	9.8
119.01934	40.2
119.04951	45.5
119.08591	87.6
120.08107	8.4
120.08833	1.8
121.06513	6.3
121.10150	31.1
122.03645	3.8
122.07302	13.4
123.04459	8.9
123.08084	32.6
123.11713	29.9
124.02479	3.6
129.05493	8.1
129.06970	1.5
132.05783	2.5
133.02864	18.8
133.06483	4.6
135.08044	2.3
136.08838	2.7
137.02968	4.6
137.05003	2.6
137.06007	22.4
137.09627	75.4
137.13243	10.9
142.03505	26.7
147.04428	64.5
147.08055	17.6
147.09114	3.0
147.11708	40.0
160.04564	5.8
165.01848	2.7
165.05484	17.2
165.06978	4.2
165.09123	100.0
165.12770	71.3
165.16403	3.6
166.04964	1.8
166.08679	4.6
166.13063	2.2
169.94496	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1276
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29478	0.6
52.92286	0.9
53.03951	3.5
55.01876	5.1
55.05517	8.5
57.03444	11.6
57.07093	1.9
57.75206	0.6
61.02948	1.7
65.03960	2.2
67.05508	51.2
69.03431	10.5
69.07072	8.9
69.81469	1.5
69.81876	2.4
71.05006	2.8
73.02929	1.6
79.05497	37.1
81.03444	2.2
81.07058	82.4
82.07414	1.4
83.04981	12.5
83.08640	2.0
83.91554	0.6
85.02925	3.0
85.06541	5.5
91.05486	50.3
92.05838	1.6
93.07047	43.2
94.07412	1.1
95.04971	14.0
95.08611	24.2
97.06528	10.5
98.20755	1.1
99.04474	2.3
99.08139	1.9
101.00898	4.8
103.03976	1.1
103.05478	2.3
104.06278	0.8
105.07034	75.9
106.07343	1.2
107.04962	2.2
107.08598	27.1
109.06518	15.7
109.10157	11.4
111.04441	1.3
111.08070	0.8
117.07050	2.1
119.01936	10.3
119.04936	10.7
119.08585	61.6
120.08116	2.6
120.08926	1.9
121.06541	1.6
121.10149	62.1
122.07299	3.0
122.10474	1.3
123.04452	2.6
123.08083	11.2
123.11694	9.1
129.05502	2.4
133.02907	1.0
136.07610	0.8
137.03043	1.7
137.05052	0.9
137.06006	3.5
137.09628	17.6
137.13243	2.4
142.03499	8.4
142.96712	1.7
145.10094	1.7
147.04420	15.7
147.11693	100.0
147.84999	0.7
148.04805	0.7
148.12030	2.7
160.04585	1.2
165.01828	1.5
165.05461	2.3
165.07001	8.1
165.09111	28.6
165.12756	89.5
166.05026	1.2
166.08630	3.1
166.13165	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1276
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.6
55.01881	6.3
55.05515	10.7
57.03439	13.3
57.07074	1.5
61.02922	2.0
63.55806	0.9
65.03928	3.0
67.05510	47.2
68.05836	0.8
68.09210	0.8
69.03436	11.5
69.07074	10.7
69.30856	0.8
70.90441	1.6
70.90743	0.8
71.04983	3.0
73.02918	1.0
77.03918	0.8
79.05499	37.8
79.63425	0.9
81.03419	2.2
81.07064	82.4
82.07372	1.5
83.04989	16.4
83.08617	1.4
85.02898	2.4
85.06538	4.7
88.03803	0.8
89.86909	0.8
91.05489	50.3
93.07052	45.4
95.04970	12.6
95.08612	26.3
97.06537	10.8
99.04462	2.8
99.08081	1.3
101.00880	3.3
103.05484	1.9
105.07040	77.8
107.04935	0.9
107.08600	24.7
109.06525	17.2
109.10168	9.7
111.04465	1.2
113.53863	0.9
117.07034	2.5
119.01929	8.0
119.04949	9.4
119.08591	59.9
120.08927	1.4
121.06541	1.8
121.10154	61.9
122.07302	3.2
122.10482	0.9
123.04439	0.9
123.08082	10.4
123.11720	8.9
124.02482	0.9
129.05482	2.5
133.02834	1.6
137.02959	1.7
137.06000	2.9
137.09621	13.3
137.13263	2.2
140.05782	0.9
142.03516	7.1
145.10089	1.3
147.04425	16.5
147.11699	100.0
148.12029	2.4
165.05539	2.0
165.07028	7.5
165.09109	21.8
165.12766	86.1
166.13124	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0548
Annotation	4-Coumaric acid
Peak:m/z	Relative Intensity
51.02386	0.3
53.03947	0.5
55.01865	0.8
55.05508	0.8
57.03446	3.0
61.02924	0.8
65.03934	1.9
67.05495	1.0
69.03431	2.6
70.94666	0.4
70.94993	0.4
71.04984	0.5
73.02917	0.7
77.03923	0.4
79.05497	0.7
81.03419	0.6
81.07051	0.6
83.04995	1.7
85.02902	1.3
91.05489	29.2
92.05839	0.4
93.07059	0.6
95.04990	2.5
95.08611	0.9
99.04472	1.5
101.00890	3.2
103.03946	0.7
103.05457	0.5
105.04508	0.4
105.07045	0.7
107.04931	0.3
107.08623	0.3
109.06534	0.6
109.10174	0.5
111.04456	0.7
117.06965	0.4
119.01948	5.4
119.04951	55.1
119.08590	1.4
120.05293	0.9
120.08087	0.3
123.04453	1.9
123.08073	0.8
123.11726	0.2
124.02461	0.3
129.05493	0.7
133.02895	0.5
137.02950	1.0
137.05962	0.9
137.09637	0.6
142.03522	3.6
147.04420	100.0
148.04753	1.8
160.04619	0.5
165.01839	0.4
165.05492	2.0
165.09113	0.8
165.12776	0.5
166.04967	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0548
Annotation	4-Coumaric acid
Peak:m/z	Relative Intensity
51.61465	0.3
53.03951	1.1
55.01876	1.8
55.05523	2.6
57.03182	0.5
57.03441	4.2
61.02923	1.0
65.03940	2.8
67.05513	5.2
68.99782	0.5
69.03439	6.1
69.07078	1.3
69.89877	0.3
71.05003	0.7
71.28344	0.6
72.36024	0.3
73.02920	0.9
77.03941	0.3
79.05503	2.6
81.03419	1.3
81.07067	4.9
83.04988	4.1
85.02914	1.9
91.05491	35.3
92.05834	0.3
93.07055	3.1
94.04190	0.5
95.04972	4.6
95.08618	4.0
99.04459	2.0
101.00884	2.4
102.79031	0.3
103.03947	1.3
103.05483	0.8
105.03409	0.7
105.07043	4.5
105.63896	0.3
107.04965	0.9
107.08603	2.8
109.06527	3.5
109.10164	5.1
111.04449	1.4
117.07016	1.1
119.01938	4.5
119.04955	56.7
119.08585	7.7
119.33145	0.3
120.04491	0.6
120.05301	0.8
120.08112	1.3
121.06523	0.8
121.10161	1.8
122.03661	0.4
122.06100	0.3
122.07312	0.8
123.04456	3.9
123.08073	4.4
123.11726	1.2
124.02467	0.3
129.05521	1.1
133.02869	1.5
133.06517	0.7
135.08089	0.4
136.07626	0.4
137.05984	3.4
137.07983	0.5
137.09622	3.8
137.13268	0.7
138.09126	0.6
142.03535	2.9
143.21149	0.3
143.80489	0.3
147.04425	100.0
147.08078	2.6
147.11711	1.9
148.04753	2.3
160.04568	0.6
165.01881	0.5
165.05457	2.9
165.06792	4.2
165.09113	7.0
165.10397	0.4
165.12784	4.5
166.05049	0.5
166.08644	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1277
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	6.9
55.01863	3.8
55.05513	11.2
57.03441	16.3
57.07084	4.2
59.04988	1.8
61.02917	3.1
63.38840	0.8
65.03934	3.8
67.05510	25.5
69.03432	36.1
69.07068	9.4
69.38514	1.9
69.38922	4.8
71.04988	6.6
73.02913	2.9
79.05494	11.9
80.20531	0.9
81.02998	1.5
81.03427	18.9
81.07064	29.4
83.01375	0.9
83.04988	11.1
83.08607	1.2
85.02915	6.8
85.97337	0.8
91.03933	1.2
91.05490	27.9
92.05800	1.0
93.07051	14.1
95.04975	16.3
95.08613	29.7
96.08917	1.2
97.06519	3.8
99.04474	7.1
101.00867	5.4
103.03963	3.1
103.05489	1.3
105.07039	22.4
107.04939	2.7
107.08606	16.1
107.14008	1.0
108.05809	1.5
109.06530	21.3
109.09457	1.7
109.10165	16.9
109.55536	0.9
110.07310	1.8
111.04450	4.3
117.07036	2.8
119.01936	11.5
119.04955	19.3
119.08589	35.0
120.08125	2.2
120.08920	1.2
121.06512	3.0
121.10153	14.2
122.07298	5.2
123.04429	3.2
123.08078	24.4
123.11717	13.4
129.05487	2.9
133.02818	4.5
133.06508	1.0
135.08046	1.2
136.08852	1.9
136.52356	1.0
137.02994	1.4
137.06013	5.0
137.08015	1.9
137.09622	32.8
137.13263	3.4
138.09947	1.0
142.03557	7.2
145.10165	0.9
147.04424	38.3
147.08055	5.6
147.11694	18.6
148.07594	1.0
150.10394	1.9
160.04584	1.3
165.01869	2.0
165.05453	5.4
165.06853	1.6
165.09114	24.4
165.12766	100.0
166.08598	1.3
166.13112	2.4
168.06824	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0511
Annotation	Unknow
Peak:m/z	Relative Intensity
63.69728	0.5
65.24136	0.5
65.89185	0.5
70.20670	0.5
70.21000	1.7
73.01805	0.5
74.34504	0.5
82.01455	0.7
82.99848	13.0
85.40698	0.4
92.66830	0.5
93.23969	0.5
98.20781	0.6
100.02477	1.5
101.00888	74.2
102.00980	1.5
111.00465	1.4
119.01930	100.0
120.02026	1.9
123.66687	0.5
124.02464	12.3
137.02966	9.9
142.03510	65.9
143.03632	2.4
160.03310	0.4
160.04555	9.8
165.05157	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0512
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42364	0.5
53.03946	0.5
53.73573	0.5
55.01876	1.3
55.05510	1.0
56.96573	3.3
57.03438	6.6
58.99881	0.4
61.02928	1.4
67.05481	0.6
68.98306	0.7
69.03436	5.7
69.63770	3.0
71.01353	1.4
71.95247	0.4
73.02920	1.5
74.39670	0.4
75.66699	0.4
81.03416	0.8
82.01467	1.2
82.99844	10.6
83.04964	2.4
83.99918	0.5
85.02924	3.7
86.74284	0.5
91.03981	0.5
91.05494	1.0
93.07068	0.5
95.04980	1.7
97.01397	0.6
97.02915	1.1
98.97600	1.0
99.04457	2.5
100.02493	1.9
101.00887	68.0
102.00983	1.9
103.03946	1.0
109.02919	0.8
111.00417	0.6
111.04478	1.4
113.00858	1.0
113.02309	0.4
115.02421	1.1
115.23985	0.4
118.03527	0.5
119.01926	100.0
119.04859	3.0
120.01983	3.1
120.08077	0.7
123.04449	2.8
124.02453	11.6
125.02596	0.6
129.05467	1.2
131.01924	1.4
133.03470	0.8
137.02965	13.5
137.05975	0.5
142.03506	71.0
143.01930	1.3
143.03633	2.6
147.04376	3.1
155.01974	0.9
159.01460	0.5
160.04552	12.2
161.02921	2.2
165.05234	1.0
165.10237	1.6
179.55228	0.5
182.99724	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0548
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61465	0.3
53.03951	1.1
55.01876	1.8
55.05523	2.6
57.03182	0.5
57.03441	4.2
61.02923	1.0
65.03940	2.8
67.05513	5.2
68.99782	0.5
69.03439	6.1
69.07078	1.3
69.89877	0.3
71.05003	0.7
71.28344	0.6
72.36024	0.3
73.02920	0.9
77.03941	0.3
79.05503	2.6
81.03419	1.3
81.07067	4.9
83.04988	4.1
85.02914	1.9
91.05491	35.3
92.05834	0.3
93.07055	3.1
94.04190	0.5
95.04972	4.6
95.08618	4.0
99.04459	2.0
101.00884	2.4
102.79031	0.3
103.03947	1.3
103.05483	0.8
105.03409	0.7
105.07043	4.5
105.63896	0.3
107.04965	0.9
107.08603	2.8
109.06527	3.5
109.10164	5.1
111.04449	1.4
117.07016	1.1
119.01938	4.5
119.04955	56.7
119.08585	7.7
119.33145	0.3
120.04491	0.6
120.05301	0.8
120.08112	1.3
121.06523	0.8
121.10161	1.8
122.03661	0.4
122.06100	0.3
122.07312	0.8
123.04456	3.9
123.08073	4.4
123.11726	1.2
124.02467	0.3
129.05521	1.1
133.02869	1.5
133.06517	0.7
135.08089	0.4
136.07626	0.4
137.05984	3.4
137.07983	0.5
137.09622	3.8
137.13268	0.7
138.09126	0.6
142.03535	2.9
143.21149	0.3
143.80489	0.3
147.04425	100.0
147.08078	2.6
147.11711	1.9
148.04753	2.3
160.04568	0.6
165.01881	0.5
165.05457	2.9
165.06792	4.2
165.09113	7.0
165.10397	0.4
165.12784	4.5
166.05049	0.5
166.08644	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1483
Annotation	Geijeren
Peak:m/z	Relative Intensity
51.02377	1.0
53.03951	10.5
55.01865	1.6
55.05514	8.4
57.03432	1.0
57.07074	2.0
61.02928	3.4
65.03937	1.5
67.05508	21.1
69.03426	1.3
69.07070	8.6
70.56677	1.8
70.57031	0.7
73.02917	1.1
77.03937	3.7
79.05498	46.1
81.03415	1.9
81.07060	32.7
83.04992	1.6
83.08623	5.0
85.02892	2.7
89.03866	0.8
91.05490	14.5
92.02637	4.0
93.07049	48.0
95.04984	11.2
95.08614	31.8
97.02900	1.0
97.10158	1.6
103.05470	3.9
105.03419	5.7
105.04514	6.2
105.07029	9.8
106.06568	1.9
107.04955	6.2
107.08600	47.2
108.08920	0.9
109.06519	3.0
109.10177	2.4
115.05485	0.9
117.05758	1.5
117.07031	5.7
119.04910	1.3
119.06052	0.7
119.07814	0.6
119.08570	4.3
121.06557	3.8
121.10149	47.4
128.06171	0.8
129.06947	0.7
130.06519	2.7
130.07756	4.0
131.04933	3.3
132.08086	2.9
133.01857	1.1
133.02867	28.6
135.04425	33.3
135.08066	10.6
135.09033	1.4
135.11693	11.1
136.04855	0.7
143.08543	1.1
145.06581	1.0
145.10124	17.6
146.27969	0.8
163.03915	100.0
163.07544	2.8
163.11177	24.2
163.12373	2.3
163.14824	34.9
164.04259	3.0
164.07028	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1483
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	1.4
52.50083	0.7
53.03955	12.4
55.01863	2.0
55.05519	7.8
56.70358	0.7
57.07075	1.2
67.05513	22.3
69.03423	0.7
69.07072	10.0
69.43879	3.3
69.44280	1.5
77.03922	2.9
79.05502	56.2
79.38821	0.6
80.05042	0.7
80.73592	0.7
81.03400	1.4
81.07067	33.3
83.08629	5.3
84.08150	0.9
91.04972	1.2
91.05490	12.3
92.02618	4.1
93.07056	52.4
94.07369	0.9
95.04977	13.9
95.08617	33.6
96.08969	0.7
97.10201	1.0
98.20725	0.7
100.02500	0.7
103.05473	2.9
105.02774	1.1
105.03409	6.5
105.04520	7.0
105.07025	5.1
106.06548	1.4
107.04963	5.4
107.08604	44.3
108.08928	0.7
109.06529	0.8
109.10146	2.1
117.05752	2.2
117.07014	1.9
119.04952	1.2
119.08585	4.3
120.02044	1.0
121.06518	1.5
121.10158	58.7
122.10445	1.0
123.08081	1.3
129.63261	0.7
130.06538	3.6
130.07715	1.0
131.04922	1.7
132.08092	3.6
133.02869	26.8
133.10092	0.8
134.03238	0.8
135.04431	27.1
135.08064	1.3
135.11720	6.3
138.03128	1.0
140.67265	0.6
145.10146	2.9
163.03923	100.0
163.07587	3.0
163.08649	1.6
163.11174	9.5
163.12386	2.6
163.14844	37.1
164.04269	2.7
164.07085	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1484
Annotation	Geijeren
Peak:m/z	Relative Intensity
51.02394	0.8
53.03949	4.4
55.01871	1.3
55.05514	14.0
57.03453	0.8
57.07075	4.4
65.03930	1.6
67.05505	5.8
69.03436	3.9
69.07073	34.5
69.74349	1.9
69.74760	1.6
71.08659	0.7
74.28852	0.5
77.03917	2.4
79.05496	22.6
81.03406	0.9
81.07062	11.9
83.08628	13.4
85.02910	0.8
87.97581	0.6
89.03937	1.2
91.05488	21.6
92.02629	0.7
93.07051	41.6
94.07350	0.8
95.04983	6.2
95.07994	1.0
95.08614	20.4
97.02854	0.8
101.87356	0.5
103.05476	35.1
104.05780	0.8
105.03432	1.4
105.04533	1.5
105.07043	26.3
106.07874	1.0
107.04982	8.3
107.08604	100.0
108.09469	4.0
109.06526	1.8
109.10152	2.6
111.61837	0.6
115.05458	1.3
117.07027	4.6
119.04922	0.8
119.06094	1.5
119.08591	11.2
120.09427	0.7
121.06524	7.0
121.10151	96.2
122.10479	2.5
123.08081	2.5
128.92436	0.6
130.07800	2.4
131.04942	36.7
132.08063	1.1
133.02870	4.1
133.06572	1.2
133.07634	2.2
133.10159	2.2
134.10965	1.0
135.04434	7.6
135.08063	5.0
135.11707	26.8
140.86421	0.6
143.08549	1.1
145.06525	1.4
145.10132	9.2
148.05212	0.8
148.08849	1.7
150.74400	0.6
163.03911	20.4
163.05254	1.4
163.07550	14.6
163.11192	30.8
163.14828	34.4
164.11543	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1482
Annotation	Geijeren
Peak:m/z	Relative Intensity
51.02377	2.1
51.94430	1.0
53.03956	13.2
55.01867	1.8
55.05520	12.5
57.07067	2.2
59.27517	1.0
65.03925	1.1
67.05508	30.5
67.06058	1.2
69.07069	16.2
69.37341	3.5
69.37759	4.2
77.03917	5.1
79.05497	76.2
81.03410	1.5
81.07058	48.2
83.08625	7.7
89.61439	1.2
91.05489	16.9
92.02617	4.2
92.13376	1.1
93.07049	79.3
94.07410	1.4
95.04980	14.2
95.08610	47.9
97.10162	2.0
98.21478	1.6
103.05461	3.0
105.03421	5.1
105.04530	6.8
105.07066	6.7
106.06605	1.5
107.04987	5.1
107.08600	64.5
109.06537	1.2
109.10154	3.5
117.06998	2.9
119.04919	1.7
119.06061	1.1
119.08585	5.0
120.02058	1.6
121.06539	2.3
121.10151	76.4
130.06570	2.5
131.04944	3.1
132.08104	3.0
133.02856	26.8
135.04422	26.2
135.08031	2.5
135.11699	9.6
145.10130	2.8
146.23538	1.2
158.37979	1.1
163.03915	100.0
163.07549	4.1
163.08704	1.6
163.11147	12.1
163.12341	2.6
163.14835	56.2
164.04305	2.0
164.07076	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	163.1331
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	1.2
53.03949	9.2
53.71357	1.2
55.01879	4.6
55.05516	15.4
57.03420	2.1
57.07081	22.6
61.02917	1.5
65.03934	1.8
67.05503	7.9
68.99775	0.9
69.03436	7.8
69.07072	14.5
71.04976	1.8
71.50407	0.9
77.03918	2.7
79.05499	30.3
80.05016	1.1
80.05761	1.1
81.03407	2.2
81.07063	18.8
83.04971	2.8
83.08635	6.8
85.02908	4.5
89.03925	2.0
89.06038	12.0
91.05489	26.7
92.02624	2.0
93.03414	2.0
93.07051	44.3
95.04990	11.3
95.08614	17.6
101.09649	1.7
103.05473	61.1
104.05746	1.8
105.03383	3.1
105.04507	4.4
105.07039	29.5
106.06565	1.7
107.04967	26.0
107.08600	73.4
108.08890	1.3
108.85709	0.9
109.06526	3.2
115.05456	5.9
116.29529	1.0
117.03374	1.3
117.05793	1.4
117.07030	15.0
118.06535	0.8
119.04928	2.8
119.06046	1.8
119.08591	23.4
120.05748	1.2
120.08064	1.2
121.06498	12.3
121.10151	40.3
122.06017	1.0
123.08045	1.1
129.07008	2.0
130.06525	3.1
130.07790	7.7
131.04938	73.8
132.05212	1.4
132.08131	4.9
133.02864	12.0
133.06525	5.1
133.10141	2.7
135.04434	19.6
135.08052	17.2
135.11693	19.6
136.04779	1.0
136.07581	11.0
143.08545	2.0
145.04015	1.1
145.06520	6.7
145.10132	31.1
147.08090	2.9
148.05208	2.7
148.08842	9.5
163.03922	59.0
163.07555	38.0
163.11189	100.0
163.14830	23.7
164.04242	1.1
164.07083	2.7
164.11612	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1119
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	0.4
53.03952	2.0
54.11826	0.3
55.01878	1.5
55.05513	1.7
61.04045	0.3
67.05496	1.5
69.03428	2.3
69.07066	2.6
70.43237	0.6
70.43580	0.5
77.03927	1.2
77.90768	0.3
79.05499	9.0
81.03410	0.6
81.07067	2.9
83.04990	1.0
89.03910	0.7
91.05492	5.1
92.02661	0.4
93.05803	0.3
93.07053	8.3
95.04975	2.9
95.08611	3.5
103.05476	21.5
104.05778	0.6
105.03378	0.9
105.04539	1.0
105.07038	5.4
107.04966	8.3
107.07880	0.5
107.08604	8.5
108.08124	0.3
108.08988	0.3
109.06569	0.4
109.10161	0.3
115.05451	1.9
117.07016	5.2
119.04958	0.6
119.08617	2.2
120.08095	0.3
121.05665	0.4
121.06509	5.6
121.10159	3.8
126.31048	0.3
128.06226	0.3
129.07072	0.5
130.06580	0.4
130.07776	1.6
131.04938	22.5
132.05244	0.7
133.02869	3.1
133.06496	3.1
133.10150	0.3
135.04431	3.9
135.08067	4.4
135.11682	2.7
136.07561	0.5
143.08569	0.3
145.02855	0.4
145.06512	0.9
145.10136	7.7
147.08061	3.5
148.05188	0.9
148.08842	13.1
149.09190	0.5
163.03925	12.5
163.07567	10.4
163.11192	100.0
163.14810	2.9
164.07091	0.9
164.11548	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1119
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	0.5
52.10068	0.4
53.03945	2.9
55.01862	1.4
55.05513	4.5
57.03456	0.5
60.96458	0.6
64.98141	0.4
65.03929	0.8
65.24997	0.4
67.05180	0.5
67.05505	6.2
69.03430	4.4
69.07067	6.1
70.18874	1.8
71.04997	1.1
77.03915	0.9
79.05499	11.9
81.03405	1.6
81.07063	7.2
83.04970	1.3
83.08609	1.7
85.02886	0.6
89.03920	0.9
91.05486	10.5
92.02662	0.6
93.07047	19.1
95.04975	11.4
95.08612	40.2
96.08918	0.9
103.05470	27.2
105.03417	0.6
105.04510	1.2
105.07038	9.9
106.05038	0.5
107.04964	8.7
107.08601	28.0
109.06494	1.6
115.05451	1.7
117.07018	6.4
119.04891	0.6
119.06040	0.7
119.08591	6.4
120.05708	0.6
121.06515	16.9
121.07386	1.0
121.10145	13.9
129.06947	0.5
130.06615	0.6
130.07785	3.4
131.04933	32.0
132.05276	0.8
132.08095	0.5
133.02844	1.9
133.06563	2.9
133.07433	0.6
133.10143	0.6
135.04439	5.0
135.08057	6.4
135.11694	11.1
136.07561	1.1
141.11160	0.5
143.08585	0.9
145.06476	1.1
145.10127	14.4
147.08034	1.9
147.09091	0.5
148.05168	0.6
148.08827	10.8
149.09219	0.6
163.03922	12.2
163.07558	14.7
163.11183	100.0
163.14803	7.3
164.11557	2.2
164.61024	0.5
171.81949	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.112
Annotation	Lamoxirene
Peak:m/z	Relative Intensity
51.02375	0.4
53.03950	3.7
55.01870	1.5
55.05518	4.0
57.03445	1.0
60.71785	0.3
65.03944	1.0
65.67747	0.4
67.05507	11.6
69.03432	5.1
69.07071	5.4
69.85497	1.2
71.04994	2.1
72.93805	0.3
77.03913	1.8
79.05499	12.2
80.05019	0.4
80.88415	0.3
81.03434	2.9
81.07065	8.3
81.69016	0.4
83.04993	1.2
83.08624	1.2
85.02923	0.5
89.03920	1.6
91.05489	11.9
92.02636	1.2
93.07053	20.1
95.04977	23.8
95.08612	100.0
96.08933	1.6
97.06538	0.8
100.96824	0.4
102.04641	0.3
103.05473	30.1
104.05775	0.5
105.03410	1.8
105.04524	1.9
105.07043	12.2
105.20931	0.4
106.06593	0.4
106.07838	0.9
107.04959	8.2
107.08601	24.8
108.08183	0.4
109.02841	0.4
109.06523	1.6
113.64408	0.3
115.05440	2.1
116.06240	0.4
117.03386	0.7
117.05759	0.6
117.07023	7.4
119.04906	0.8
119.06075	0.5
119.08597	7.1
120.02050	0.4
120.08092	0.6
120.08957	0.3
121.06522	8.9
121.09323	0.7
121.10148	9.3
123.08081	0.7
128.06216	0.3
129.06961	0.7
130.06549	1.7
130.07793	4.6
131.04938	31.1
132.05278	0.7
132.08133	1.7
133.02858	5.3
133.06488	0.4
133.10162	0.8
134.07248	0.5
135.04430	9.4
135.05486	0.3
135.08060	5.9
135.11693	6.5
136.07524	0.4
143.08586	1.2
145.02879	0.4
145.03975	0.9
145.06500	1.3
145.10133	16.9
146.10454	0.4
148.05150	0.8
148.08847	0.9
149.02309	0.3
160.17943	0.3
163.03922	25.2
163.07552	12.8
163.11188	63.0
163.14832	6.0
164.04297	0.7
164.07021	1.0
164.11560	1.5
181.27933	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1119
Annotation	Lamoxirene
Peak:m/z	Relative Intensity
53.03942	1.2
53.05505	0.3
55.01860	0.8
55.05519	1.7
55.05736	0.4
64.09553	0.3
64.41232	0.3
65.03933	0.4
67.05489	1.4
69.03411	0.9
69.07074	3.6
70.68449	1.0
77.03909	0.9
79.05502	6.3
81.07063	2.6
83.04974	0.6
83.08616	0.9
91.05489	4.6
93.07053	6.6
95.04975	2.3
95.08612	3.5
95.40339	0.4
96.19693	0.3
103.05473	36.1
104.05820	0.8
105.04547	0.5
105.07045	4.6
107.04965	7.4
107.07868	0.8
107.08598	12.4
109.06536	0.5
115.05460	1.0
117.07027	5.1
119.08588	2.5
121.06491	2.1
121.10155	7.8
130.07774	1.6
131.04936	46.8
132.05296	1.2
133.02881	0.5
133.06525	2.5
135.04417	1.3
135.08063	3.6
135.11696	4.9
143.08580	0.6
145.10130	8.6
147.08058	2.9
148.08842	11.4
163.03925	3.2
163.07561	19.5
163.11186	100.0
163.14821	2.6
164.07954	0.7
164.11537	3.0
168.16295	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.112
Annotation	Lamoxirene
Peak:m/z	Relative Intensity
53.03954	1.4
55.01863	1.0
55.05522	2.0
57.03434	0.6
57.07048	0.4
64.67131	0.3
65.03941	0.8
67.05511	1.7
68.68121	0.3
69.03432	2.1
69.07075	4.1
69.58031	0.9
69.58439	0.8
71.04996	0.4
77.03934	0.9
79.05505	8.3
81.03413	0.3
81.07061	3.6
83.04975	0.8
83.08601	0.7
85.02893	0.6
89.03918	0.6
91.04982	0.4
91.05493	6.0
91.66489	0.3
92.02609	0.4
93.06487	0.6
93.07055	10.8
93.07641	0.7
95.04975	3.7
95.08619	2.7
103.05479	17.5
104.05795	0.4
105.03424	0.5
105.04501	0.8
105.07043	6.8
107.04972	7.4
107.05698	0.3
107.08606	16.7
109.06501	0.6
114.63554	0.3
115.05453	1.0
116.38233	0.3
117.03353	0.3
117.07032	5.1
119.04990	0.4
119.06036	0.4
119.08604	3.2
121.06525	3.5
121.10153	7.7
123.08107	0.3
129.06956	0.5
130.06769	0.5
130.07777	2.3
131.04942	19.1
132.05247	0.5
132.08122	0.6
133.02881	1.9
133.06508	2.7
133.10153	0.6
135.04451	2.9
135.08083	4.1
135.11711	5.4
136.07524	0.4
143.08585	0.4
144.17836	0.3
145.02863	0.4
145.06523	0.6
145.10138	12.0
147.08063	3.1
148.05089	0.4
148.08850	12.6
161.09602	0.3
163.03938	8.2
163.07571	8.8
163.11192	100.0
163.14819	4.1
164.07120	0.4
164.11568	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1119
Annotation	Lamoxirene
Peak:m/z	Relative Intensity
51.02383	1.0
53.03953	7.0
55.01871	3.2
55.05512	7.6
57.03432	1.3
57.07086	1.4
59.46381	0.8
65.03931	3.0
67.05494	5.2
69.03433	8.8
69.07067	10.1
71.50736	1.1
72.08125	1.0
73.02912	0.8
77.03934	3.0
79.05500	29.0
81.03419	2.3
81.07058	10.8
83.04977	1.7
83.08627	2.3
85.02902	2.0
89.03921	7.1
91.05484	32.4
92.02628	1.2
93.03402	0.8
93.07049	54.8
94.07381	0.9
95.04985	9.2
95.08611	8.1
97.02857	0.9
103.05472	55.4
104.05756	1.3
105.03385	2.3
105.04520	3.4
105.07038	31.5
107.04964	18.9
107.08598	100.0
108.08871	1.2
109.06530	2.4
115.05478	3.3
117.03394	6.1
117.05761	0.8
117.07018	11.2
117.80798	0.7
119.04961	1.2
119.06061	2.6
119.08591	17.1
120.05726	0.9
120.08143	1.1
120.09361	3.2
121.06513	13.7
121.09293	1.8
121.10147	33.6
122.07312	0.8
123.08076	2.0
129.07060	1.4
130.06544	2.1
130.07796	7.2
131.04935	59.1
132.05310	0.9
132.08096	2.8
133.02849	7.2
133.06499	1.5
133.07535	1.1
133.10138	1.8
135.04431	22.6
135.08066	11.3
135.11699	69.3
136.07600	3.9
136.12071	1.2
143.08528	1.0
145.02837	3.1
145.03934	1.0
145.06488	3.1
145.07582	0.8
145.10139	23.4
146.05971	0.8
147.09114	0.8
148.08827	1.5
163.03920	43.6
163.07550	26.3
163.11182	48.8
163.14842	12.5
164.04276	1.4
164.07086	2.7
164.11610	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1119
Annotation	Lamoxirene
Peak:m/z	Relative Intensity
52.86645	0.3
53.03943	2.0
55.01859	1.0
55.05511	1.4
56.93596	0.3
57.03418	0.5
62.53530	0.2
65.03933	0.3
67.05497	1.4
67.65873	0.3
69.03424	1.8
69.07077	2.7
70.68342	0.7
71.04985	0.6
73.59554	0.3
77.03908	0.5
79.05493	8.7
81.03416	0.5
81.07057	3.5
83.04964	0.4
83.08607	0.6
89.03889	0.6
91.05480	6.8
91.32467	0.3
93.07050	11.2
93.07635	0.7
95.04983	2.9
95.08177	0.3
95.08617	3.0
103.05472	20.1
104.05785	0.3
105.03388	0.6
105.04518	0.8
105.07037	5.1
107.04959	7.7
107.08593	12.1
108.05817	0.4
109.06500	0.6
115.05433	1.0
117.05769	0.4
117.07022	4.9
119.04912	0.7
119.08580	2.3
121.06518	4.1
121.10144	4.7
129.07004	0.3
130.06497	0.7
130.07776	1.9
131.04933	23.0
132.05264	0.7
132.08093	0.7
133.02855	2.2
133.06482	2.6
135.04411	4.1
135.08058	5.2
135.11688	3.6
143.08633	0.4
145.06473	1.0
145.10133	9.0
146.10500	0.4
147.08060	3.2
148.05223	0.7
148.08833	14.4
149.09131	0.6
163.03923	10.7
163.07553	10.2
163.11180	100.0
163.14787	4.3
164.06979	0.5
164.11575	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0755
Annotation	Methyl cinnamate
Peak:m/z	Relative Intensity
53.03950	1.0
55.01870	0.3
55.05511	0.7
55.32705	0.3
69.07074	1.7
70.52672	1.0
70.53013	0.3
74.46130	0.3
77.03941	0.7
79.05505	1.8
79.82532	0.3
81.07063	1.0
83.08614	0.4
87.09293	0.3
91.05486	1.7
93.07044	3.6
95.04969	1.3
95.08606	1.0
102.04729	0.3
103.05473	87.1
104.05786	1.7
105.04530	0.6
105.07038	1.8
107.04948	2.7
107.08592	5.1
117.07017	1.1
119.08588	0.9
120.05743	0.4
121.06521	0.7
121.10164	2.6
131.04935	100.0
132.05244	2.5
133.02809	0.3
135.04399	0.9
135.08018	1.5
135.11678	2.0
145.06570	0.3
145.10165	0.9
148.08818	0.8
162.86499	0.3
163.03915	3.0
163.07553	40.3
163.11183	9.5
163.14888	2.0
164.07906	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0755
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.0
55.05511	1.1
57.03426	0.5
67.05508	0.9
69.03448	0.9
69.07076	1.9
73.37472	0.4
77.03917	0.8
79.05513	2.2
81.07060	1.5
85.02918	0.8
87.91205	0.5
89.03933	1.0
91.05485	3.1
93.07049	4.0
95.04983	1.4
95.08614	1.4
102.04677	0.5
103.05477	84.4
104.05795	1.9
105.04517	0.5
105.07040	3.1
107.04952	3.1
107.08607	7.6
115.05419	0.7
117.03375	1.1
117.07036	1.5
119.04930	0.7
119.08607	1.1
121.06528	1.3
121.10155	5.2
130.07803	1.0
131.04939	100.0
132.05273	1.6
133.02866	1.3
135.04408	3.2
135.08089	1.7
135.11711	1.7
136.07608	0.7
145.02907	0.7
145.10139	2.6
163.03932	6.7
163.07561	48.2
163.11177	4.6
163.14830	2.0
164.08009	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0755
Annotation	Methyl cinnamate
Peak:m/z	Relative Intensity
53.03949	2.0
55.05511	1.1
57.03426	0.5
67.05508	0.9
69.03448	0.9
69.07076	1.9
73.37472	0.4
77.03917	0.8
79.05513	2.2
81.07060	1.5
85.02918	0.8
87.91205	0.5
89.03933	1.0
91.05485	3.1
93.07049	4.0
95.04983	1.4
95.08614	1.4
102.04677	0.5
103.05477	84.4
104.05795	1.9
105.04517	0.5
105.07040	3.1
107.04952	3.1
107.08607	7.6
115.05419	0.7
117.03375	1.1
117.07036	1.5
119.04930	0.7
119.08607	1.1
121.06528	1.3
121.10155	5.2
130.07803	1.0
131.04939	100.0
132.05273	1.6
133.02866	1.3
135.04408	3.2
135.08089	1.7
135.11711	1.7
136.07608	0.7
145.02907	0.7
145.10139	2.6
163.03932	6.7
163.07561	48.2
163.11177	4.6
163.14830	2.0
164.08009	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	162.0365
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.7
54.04280	1.0
55.01876	8.7
55.05318	0.8
55.05517	10.3
56.05028	3.6
56.96571	59.4
57.03443	24.9
58.03780	1.3
58.06603	4.7
58.99879	4.4
59.04994	3.3
59.99957	1.1
60.02147	1.0
60.04526	1.9
60.08170	6.3
60.95860	7.7
60.99617	1.0
61.02932	11.6
61.04037	0.9
67.05499	2.9
68.00271	2.8
68.05017	1.4
68.99784	1.1
69.03436	36.1
69.07063	1.9
70.03771	2.8
70.06598	6.5
70.98123	1.6
70.99859	1.2
71.01359	8.2
71.05008	7.3
71.50517	0.9
71.95264	2.5
72.04530	4.6
72.05334	1.3
72.08159	2.3
73.02924	15.8
73.06550	3.3
74.00247	2.7
74.06070	2.7
74.97623	1.3
75.01067	1.8
75.01923	0.9
75.04461	1.5
75.94547	1.1
75.99249	0.8
77.00844	3.7
79.02190	0.8
79.05509	1.8
80.00268	1.6
80.02956	1.4
80.05001	1.5
81.01040	3.0
81.01901	2.0
81.02886	1.1
81.03422	14.9
81.07057	5.8
82.01376	1.2
82.01807	1.1
82.03757	1.6
82.06578	1.4
82.99848	2.2
83.00784	5.9
83.01350	3.8
83.04991	4.7
83.08628	6.9
83.99918	3.3
84.01564	4.4
84.04514	9.9
84.08151	5.0
84.96040	2.7
84.99593	1.4
85.01421	2.0
85.02917	39.5
85.06540	2.7
85.08479	1.6
86.00243	1.4
86.01480	0.9
86.03258	1.8
86.06077	3.6
87.01080	1.4
87.01892	2.0
87.04484	7.8
87.51993	1.6
88.01785	1.8
88.02691	2.0
88.07622	1.2
88.51618	1.3
88.52756	2.0
89.00782	7.0
89.03442	1.0
89.53530	1.1
90.01057	1.1
90.01569	7.5
90.03338	1.8
90.05570	1.3
91.02375	0.9
91.03905	0.8
91.05477	1.8
92.01307	3.0
92.03033	0.8
93.01015	1.1
93.02042	1.2
94.02666	4.8
94.51566	3.6
95.00769	2.3
95.02571	1.3
95.03457	2.4
95.05000	1.5
95.53525	1.2
96.01555	6.8
96.02430	1.8
96.04488	3.5
97.01405	3.8
97.02383	1.8
97.02899	45.3
97.96785	1.1
97.99190	2.3
98.01289	4.3
98.03226	5.7
98.06068	5.0
98.09702	3.9
98.54074	1.8
98.97594	76.4
99.02081	8.0
99.04469	5.3
99.08119	1.8
99.97919	2.8
100.01849	0.8
100.02551	3.4
100.52770	1.2
100.99137	2.3
101.00887	19.5
101.02351	4.0
101.03475	1.7
101.52322	0.9
101.53535	3.1
101.95004	1.1
101.97183	1.0
102.00956	29.4
102.01498	2.7
102.02371	3.3
102.03339	1.7
102.05538	2.9
102.09175	6.7
102.52550	1.3
102.96881	37.0
103.00651	15.7
103.01337	0.9
103.02496	5.8
103.03212	3.6
103.03923	9.4
103.05454	2.7
103.52058	3.0
103.53226	0.9
104.01280	2.8
104.02523	1.5
104.07120	1.7
105.02131	5.2
105.07059	1.1
107.01817	1.2
107.03462	0.9
107.04961	1.7
107.53555	0.9
108.01561	1.7
108.02515	3.0
108.03296	1.1
108.08102	2.4
108.54344	1.4
109.00517	1.2
109.01366	2.4
109.02273	0.9
109.02907	7.4
109.04092	1.5
109.06532	2.1
110.01308	5.5
110.03136	3.0
110.03906	1.0
110.54070	2.0
110.97572	6.3
111.02105	12.3
111.02892	2.0
111.53027	2.3
112.01010	1.6
112.02948	1.5
112.03716	8.9
112.53826	1.8
112.99138	6.2
113.00875	8.8
113.01683	1.6
113.02428	2.7
113.03513	0.8
114.00964	1.5
114.02529	1.4
114.05528	1.5
115.00664	2.4
115.02439	12.5
115.03970	1.9
115.97045	0.9
116.02499	3.1
116.03263	1.2
116.07109	8.4
116.10741	2.2
116.54047	1.2
116.98634	26.5
117.02169	6.2
117.98965	1.0
118.01019	2.0
118.02820	1.9
118.03521	1.0
119.00173	2.0
119.01910	38.7
119.03619	1.6
120.01944	69.7
120.06609	1.3
120.08089	1.5
120.52788	2.0
120.97925	20.5
121.01680	32.6
121.02408	1.3
121.04227	10.6
121.54337	2.3
122.02251	0.9
122.04080	0.9
123.03024	0.9
123.54811	0.9
124.02836	3.4
124.97639	0.9
124.99130	1.7
125.00974	1.0
125.01756	1.1
126.02486	1.2
126.09169	10.2
127.00696	1.0
127.02432	2.1
127.03938	5.5
127.07561	2.1
128.02336	5.2
128.97835	0.8
128.98634	5.9
129.01926	3.2
129.03102	9.2
129.04007	4.7
129.51785	1.2
129.53242	1.5
130.04131	5.6
131.00246	7.4
131.01913	19.3
131.03728	3.7
131.04878	1.9
131.53378	1.1
132.01956	2.5
132.53500	2.9
133.01669	2.4
133.03465	12.8
134.03571	9.4
134.06039	1.5
134.99660	5.9
135.03215	6.2
135.04439	3.6
136.00154	1.1
136.03461	0.9
136.48367	2.0
136.52583	1.1
137.01018	1.4
137.02956	3.5
138.03081	19.6
138.52367	2.0
138.96550	1.0
138.98972	7.9
139.02434	20.9
140.00232	1.7
140.02359	2.0
140.98550	1.8
141.03979	1.5
141.04997	0.8
143.00180	3.4
143.01907	4.2
143.03600	2.3
144.02048	5.4
144.03271	5.6
144.06577	1.9
144.10194	3.2
144.98123	1.2
145.01671	5.2
145.03513	4.0
145.05096	1.4
145.07556	1.9
145.48915	2.0
146.03572	1.6
146.99623	2.8
147.03282	5.5
147.05067	9.3
148.03923	1.8
148.05132	10.3
149.01233	7.1
149.02972	2.1
149.04755	8.6
150.03450	1.7
151.53987	1.4
152.04761	1.0
152.55113	1.4
155.00203	1.2
155.01906	1.9
155.04660	3.8
156.02086	1.2
156.97531	2.8
157.03484	100.0
158.01250	1.7
158.03737	6.1
158.99632	4.5
159.01471	1.2
159.03201	1.4
159.05077	4.4
160.05159	8.3
161.01270	6.4
161.03004	4.0
161.04771	5.2
161.55614	3.6
162.03191	7.4
162.05351	7.2
162.07625	2.1
162.09097	3.9
162.11270	29.1
162.99133	1.0
163.02705	3.4
163.03990	3.8
163.07524	1.4
163.08693	6.3
165.00745	1.1
165.04288	1.9
165.06091	1.3
166.06221	2.3
167.05821	1.9
169.03502	1.5
171.01469	1.9
171.04099	2.0
172.05045	1.0
173.01367	1.3
173.02953	2.4
173.04646	1.2
174.98524	2.1
175.04543	18.6
175.05957	1.3
176.04564	0.8
177.00708	3.6
177.02231	1.0
177.04332	1.4
177.06123	3.3
178.06261	5.0
179.02312	8.0
179.03885	1.3
179.05670	4.1
180.03795	1.2
180.05351	4.9
181.03821	1.4
184.05016	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	162.0365
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.7
54.04280	1.0
55.01876	8.7
55.05318	0.8
55.05517	10.3
56.05028	3.6
56.96571	59.4
57.03443	24.9
58.03780	1.3
58.06603	4.7
58.99879	4.4
59.04994	3.3
59.99957	1.1
60.02147	1.0
60.04526	1.9
60.08170	6.3
60.95860	7.7
60.99617	1.0
61.02932	11.6
61.04037	0.9
67.05499	2.9
68.00271	2.8
68.05017	1.4
68.99784	1.1
69.03436	36.1
69.07063	1.9
70.03771	2.8
70.06598	6.5
70.98123	1.6
70.99859	1.2
71.01359	8.2
71.05008	7.3
71.50517	0.9
71.95264	2.5
72.04530	4.6
72.05334	1.3
72.08159	2.3
73.02924	15.8
73.06550	3.3
74.00247	2.7
74.06070	2.7
74.97623	1.3
75.01067	1.8
75.01923	0.9
75.04461	1.5
75.94547	1.1
75.99249	0.8
77.00844	3.7
79.02190	0.8
79.05509	1.8
80.00268	1.6
80.02956	1.4
80.05001	1.5
81.01040	3.0
81.01901	2.0
81.02886	1.1
81.03422	14.9
81.07057	5.8
82.01376	1.2
82.01807	1.1
82.03757	1.6
82.06578	1.4
82.99848	2.2
83.00784	5.9
83.01350	3.8
83.04991	4.7
83.08628	6.9
83.99918	3.3
84.01564	4.4
84.04514	9.9
84.08151	5.0
84.96040	2.7
84.99593	1.4
85.01421	2.0
85.02917	39.5
85.06540	2.7
85.08479	1.6
86.00243	1.4
86.01480	0.9
86.03258	1.8
86.06077	3.6
87.01080	1.4
87.01892	2.0
87.04484	7.8
87.51993	1.6
88.01785	1.8
88.02691	2.0
88.07622	1.2
88.51618	1.3
88.52756	2.0
89.00782	7.0
89.03442	1.0
89.53530	1.1
90.01057	1.1
90.01569	7.5
90.03338	1.8
90.05570	1.3
91.02375	0.9
91.03905	0.8
91.05477	1.8
92.01307	3.0
92.03033	0.8
93.01015	1.1
93.02042	1.2
94.02666	4.8
94.51566	3.6
95.00769	2.3
95.02571	1.3
95.03457	2.4
95.05000	1.5
95.53525	1.2
96.01555	6.8
96.02430	1.8
96.04488	3.5
97.01405	3.8
97.02383	1.8
97.02899	45.3
97.96785	1.1
97.99190	2.3
98.01289	4.3
98.03226	5.7
98.06068	5.0
98.09702	3.9
98.54074	1.8
98.97594	76.4
99.02081	8.0
99.04469	5.3
99.08119	1.8
99.97919	2.8
100.01849	0.8
100.02551	3.4
100.52770	1.2
100.99137	2.3
101.00887	19.5
101.02351	4.0
101.03475	1.7
101.52322	0.9
101.53535	3.1
101.95004	1.1
101.97183	1.0
102.00956	29.4
102.01498	2.7
102.02371	3.3
102.03339	1.7
102.05538	2.9
102.09175	6.7
102.52550	1.3
102.96881	37.0
103.00651	15.7
103.01337	0.9
103.02496	5.8
103.03212	3.6
103.03923	9.4
103.05454	2.7
103.52058	3.0
103.53226	0.9
104.01280	2.8
104.02523	1.5
104.07120	1.7
105.02131	5.2
105.07059	1.1
107.01817	1.2
107.03462	0.9
107.04961	1.7
107.53555	0.9
108.01561	1.7
108.02515	3.0
108.03296	1.1
108.08102	2.4
108.54344	1.4
109.00517	1.2
109.01366	2.4
109.02273	0.9
109.02907	7.4
109.04092	1.5
109.06532	2.1
110.01308	5.5
110.03136	3.0
110.03906	1.0
110.54070	2.0
110.97572	6.3
111.02105	12.3
111.02892	2.0
111.53027	2.3
112.01010	1.6
112.02948	1.5
112.03716	8.9
112.53826	1.8
112.99138	6.2
113.00875	8.8
113.01683	1.6
113.02428	2.7
113.03513	0.8
114.00964	1.5
114.02529	1.4
114.05528	1.5
115.00664	2.4
115.02439	12.5
115.03970	1.9
115.97045	0.9
116.02499	3.1
116.03263	1.2
116.07109	8.4
116.10741	2.2
116.54047	1.2
116.98634	26.5
117.02169	6.2
117.98965	1.0
118.01019	2.0
118.02820	1.9
118.03521	1.0
119.00173	2.0
119.01910	38.7
119.03619	1.6
120.01944	69.7
120.06609	1.3
120.08089	1.5
120.52788	2.0
120.97925	20.5
121.01680	32.6
121.02408	1.3
121.04227	10.6
121.54337	2.3
122.02251	0.9
122.04080	0.9
123.03024	0.9
123.54811	0.9
124.02836	3.4
124.97639	0.9
124.99130	1.7
125.00974	1.0
125.01756	1.1
126.02486	1.2
126.09169	10.2
127.00696	1.0
127.02432	2.1
127.03938	5.5
127.07561	2.1
128.02336	5.2
128.97835	0.8
128.98634	5.9
129.01926	3.2
129.03102	9.2
129.04007	4.7
129.51785	1.2
129.53242	1.5
130.04131	5.6
131.00246	7.4
131.01913	19.3
131.03728	3.7
131.04878	1.9
131.53378	1.1
132.01956	2.5
132.53500	2.9
133.01669	2.4
133.03465	12.8
134.03571	9.4
134.06039	1.5
134.99660	5.9
135.03215	6.2
135.04439	3.6
136.00154	1.1
136.03461	0.9
136.48367	2.0
136.52583	1.1
137.01018	1.4
137.02956	3.5
138.03081	19.6
138.52367	2.0
138.96550	1.0
138.98972	7.9
139.02434	20.9
140.00232	1.7
140.02359	2.0
140.98550	1.8
141.03979	1.5
141.04997	0.8
143.00180	3.4
143.01907	4.2
143.03600	2.3
144.02048	5.4
144.03271	5.6
144.06577	1.9
144.10194	3.2
144.98123	1.2
145.01671	5.2
145.03513	4.0
145.05096	1.4
145.07556	1.9
145.48915	2.0
146.03572	1.6
146.99623	2.8
147.03282	5.5
147.05067	9.3
148.03923	1.8
148.05132	10.3
149.01233	7.1
149.02972	2.1
149.04755	8.6
150.03450	1.7
151.53987	1.4
152.04761	1.0
152.55113	1.4
155.00203	1.2
155.01906	1.9
155.04660	3.8
156.02086	1.2
156.97531	2.8
157.03484	100.0
158.01250	1.7
158.03737	6.1
158.99632	4.5
159.01471	1.2
159.03201	1.4
159.05077	4.4
160.05159	8.3
161.01270	6.4
161.03004	4.0
161.04771	5.2
161.55614	3.6
162.03191	7.4
162.05351	7.2
162.07625	2.1
162.09097	3.9
162.11270	29.1
162.99133	1.0
163.02705	3.4
163.03990	3.8
163.07524	1.4
163.08693	6.3
165.00745	1.1
165.04288	1.9
165.06091	1.3
166.06221	2.3
167.05821	1.9
169.03502	1.5
171.01469	1.9
171.04099	2.0
172.05045	1.0
173.01367	1.3
173.02953	2.4
173.04646	1.2
174.98524	2.1
175.04543	18.6
175.05957	1.3
176.04564	0.8
177.00708	3.6
177.02231	1.0
177.04332	1.4
177.06123	3.3
178.06261	5.0
179.02312	8.0
179.03885	1.3
179.05670	4.1
180.03795	1.2
180.05351	4.9
181.03821	1.4
184.05016	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.1327
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.8
55.01877	2.3
55.05520	8.0
56.87503	0.5
58.50562	0.4
67.05512	4.3
69.03439	0.9
69.07076	8.3
71.51452	0.7
72.40926	0.4
77.03927	0.7
79.05503	11.7
79.05970	0.8
81.07066	12.5
88.96623	0.5
91.05491	24.7
92.05824	0.6
93.07064	10.7
95.04986	1.2
95.08620	1.8
98.95626	0.5
103.05474	7.9
104.06271	0.8
105.07042	100.0
106.07373	2.0
107.04944	1.7
107.08616	4.1
115.05457	8.6
116.04983	1.6
117.07018	6.7
118.04179	5.1
118.06549	6.3
118.07835	0.6
119.08595	79.8
120.08932	1.4
121.06514	1.9
121.10149	2.0
128.06223	3.2
129.06975	0.9
130.07814	0.5
131.04956	2.2
131.08569	8.5
132.05728	1.3
132.09367	1.4
133.06517	11.8
133.10146	46.9
134.10487	1.1
143.06036	1.5
143.08575	3.9
144.04379	1.2
145.06470	0.7
145.10123	1.2
146.03622	1.9
146.07280	3.0
146.10991	2.7
147.04358	0.6
159.11710	2.9
161.06000	9.7
161.07256	0.8
161.09636	22.5
161.13274	55.8
162.05473	2.6
162.13574	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.1326
Annotation	Trinoranastreptene
Peak:m/z	Relative Intensity
53.03929	0.8
55.01884	0.4
55.05515	5.9
65.03953	0.4
67.05509	0.7
69.07067	2.8
71.04525	0.6
71.04866	0.7
77.03937	0.5
79.05507	3.4
81.07071	1.5
91.05488	9.8
93.07039	2.6
103.05486	3.1
104.06246	0.6
105.07042	27.8
106.07353	0.7
107.08600	1.8
115.05470	2.6
117.07033	2.9
118.04162	1.1
118.07845	0.7
119.08591	100.0
120.08899	2.1
121.06520	0.5
121.10158	3.8
128.06241	0.6
131.08571	2.7
132.09367	0.5
132.97194	0.4
133.06512	3.5
133.10143	23.0
134.10522	0.5
143.08607	0.7
146.07263	0.7
146.10945	1.9
159.11752	1.1
161.05972	1.4
161.09622	2.9
161.13274	21.8
162.13664	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0964
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	2.0
55.01884	3.6
55.05517	6.7
65.03944	0.8
67.05531	2.6
69.03435	1.7
69.07086	3.0
71.51825	1.0
77.03922	1.1
79.05502	10.7
81.07065	6.7
90.04729	1.0
91.05491	35.3
92.64707	0.5
93.07054	6.8
95.04971	1.4
95.08625	1.1
103.05483	7.5
105.03392	1.2
105.07044	100.0
106.07363	1.9
107.04964	5.1
107.08604	2.8
115.05470	8.6
116.06277	0.8
117.07040	6.0
117.45187	0.6
118.04195	4.5
118.07832	1.3
119.04986	1.4
119.08595	44.2
121.06506	4.8
121.10144	1.2
128.06233	12.3
130.72260	0.5
131.04941	2.3
131.07614	0.8
131.08583	11.2
132.05719	3.3
132.09354	0.9
133.06509	13.8
133.10147	48.6
134.10466	0.9
143.02345	0.6
143.04958	1.1
143.06023	0.8
143.08574	11.2
145.06511	2.4
146.03659	3.4
146.07285	10.5
146.10965	1.2
147.07780	0.5
155.06075	0.8
159.11725	1.2
161.06024	13.8
161.09637	65.9
161.13280	28.0
162.05533	1.5
162.09991	1.9
183.56882	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0962
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	0.6
53.03947	1.4
54.21883	0.5
55.01875	8.8
55.05511	4.3
65.03934	1.1
66.04730	0.5
67.05519	2.6
69.03427	1.7
69.07045	1.1
69.63280	2.4
69.63683	0.8
76.25374	0.5
77.03947	0.7
78.93134	1.0
79.05499	10.3
81.03428	0.7
81.07062	3.4
85.02932	0.5
89.30769	0.5
90.04693	0.9
91.05484	37.8
93.07050	6.2
94.71336	0.5
95.04961	1.5
95.08604	0.8
101.95036	1.0
103.05476	8.2
105.03402	1.1
105.07033	99.4
106.07365	2.1
107.04949	4.3
107.08582	1.8
113.02346	0.6
115.05454	9.2
116.06283	0.6
117.07018	5.7
118.04160	3.6
118.07780	1.9
119.04952	2.6
119.08584	26.4
119.90792	0.4
119.95734	0.6
120.08112	0.5
120.08927	0.9
121.06497	4.2
128.06219	9.3
129.07004	0.7
131.04947	3.3
131.08565	9.0
132.05711	2.1
133.06497	15.2
133.10132	61.8
134.06879	0.5
134.10477	1.1
141.06902	0.5
143.02295	1.2
143.04964	0.8
143.06073	1.2
143.07503	0.9
143.08568	11.9
145.06534	2.6
146.03636	2.8
146.07268	13.1
155.06068	1.1
159.08034	0.8
159.11623	0.8
161.06024	8.5
161.09618	100.0
161.13246	15.0
162.05455	0.8
162.09932	1.8
162.13577	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0964
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.0
55.01885	4.9
55.05520	5.3
65.03962	0.9
65.80981	0.6
67.05519	2.9
69.03439	1.6
69.07076	1.6
70.41128	1.3
76.40012	0.5
79.05502	9.6
80.04014	0.6
80.40941	0.5
81.07068	4.9
89.03916	0.8
91.05493	37.5
93.07065	6.7
95.04960	1.5
103.05489	8.8
105.03413	1.3
105.07045	100.0
106.06693	0.6
106.07393	2.6
107.04976	5.6
107.08632	3.4
109.06534	0.6
115.05485	10.0
116.06247	1.4
117.07025	6.4
118.04160	5.0
118.07836	1.3
119.04951	1.6
119.08604	28.6
120.08887	1.1
121.06513	5.8
128.06244	14.5
129.07033	1.1
131.04956	4.5
131.08589	11.7
132.05742	2.7
132.09387	0.7
133.06519	17.9
133.10152	45.3
141.07057	0.9
143.02388	0.9
143.04974	0.8
143.06064	1.5
143.08582	11.7
145.06512	2.7
146.03650	3.9
146.07286	12.3
155.06055	1.6
159.08067	1.1
161.06017	11.1
161.09645	74.6
161.13278	18.0
162.05641	0.6
162.08969	0.9
162.10143	1.3
174.36331	0.6
178.95888	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0298
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96569	1.5
58.95425	0.2
60.95143	6.9
64.08379	0.2
64.48775	0.2
71.07910	0.3
72.08157	0.2
74.93180	0.6
77.00500	0.2
78.96176	0.4
81.77057	0.2
82.99850	5.8
83.99924	0.2
98.97587	2.9
100.02505	0.3
100.97160	0.4
101.00889	51.8
101.95053	0.2
101.97770	7.1
101.98457	0.4
102.00945	2.1
102.96889	0.4
103.00629	0.2
110.01301	0.4
110.97601	0.4
111.00438	0.4
115.02474	0.2
116.98656	0.8
118.03495	0.3
119.01930	100.0
119.98804	16.5
120.02016	3.9
120.03187	0.2
120.98840	0.3
121.01627	0.3
121.02389	0.3
124.01137	0.2
124.02493	0.3
131.01912	0.2
133.03448	0.3
136.48375	0.5
137.02969	16.7
137.99834	8.1
138.03073	0.4
139.00006	0.3
140.02342	0.2
142.03494	1.0
142.97247	0.2
143.00427	0.4
143.01892	0.7
143.03615	1.3
144.03273	0.4
145.48950	0.5
156.00916	0.5
161.01524	0.5
161.02943	5.3
161.04327	0.3
161.04890	0.2
179.04016	4.2
179.05609	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0599
Annotation	2,3-Dihydroxynaphthalene
Peak:m/z	Relative Intensity
51.02375	0.7
53.03944	3.5
55.01877	5.5
55.05510	1.0
65.03924	0.7
66.04720	1.6
67.05507	0.4
69.03429	2.2
69.07066	1.1
71.30002	0.5
71.30340	0.6
75.04484	0.8
77.03925	1.6
79.05498	19.2
81.07056	1.2
89.03925	1.3
90.04708	3.3
91.05492	6.1
91.82151	0.3
92.02641	1.1
93.07056	1.4
94.04169	0.5
95.04411	0.6
95.04955	2.9
99.13014	0.4
102.04684	0.6
103.05476	24.1
104.05746	0.5
105.04537	1.5
105.07039	100.0
106.07368	1.7
107.04079	0.3
107.04944	1.4
115.05465	28.7
116.05801	0.8
117.07029	1.0
118.04175	17.7
119.08595	10.3
121.06544	1.0
128.06256	1.8
131.04948	5.2
131.08592	1.7
132.05719	1.3
133.06503	44.1
133.10135	9.4
134.06850	0.9
143.05014	0.4
143.06064	5.6
143.08545	3.2
146.03648	0.8
146.07271	2.0
146.10916	0.5
147.04440	0.4
161.04649	0.7
161.05989	8.4
161.07289	0.6
161.09637	9.9
161.13264	7.5
162.05411	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.06
Annotation	2,3-Dihydroxynaphthalene
Peak:m/z	Relative Intensity
51.02380	0.5
51.82994	0.3
53.03957	3.3
53.51335	0.4
55.01669	0.4
55.01885	4.1
55.05510	0.7
63.55449	0.3
65.03935	0.7
66.04727	0.9
69.07055	0.4
69.64344	0.3
71.17432	0.5
71.17761	0.4
71.65624	0.3
77.03930	1.4
79.05505	19.8
81.07076	0.5
89.03940	1.0
90.04722	3.8
91.05495	6.0
92.02644	0.8
93.07059	0.5
95.04980	3.5
102.04693	0.6
103.05487	23.7
105.04533	1.3
105.07047	100.0
106.07382	1.5
107.04977	1.0
115.05474	28.6
116.05817	0.6
117.07069	1.0
118.04182	18.1
119.08603	5.8
121.06515	0.6
128.06262	1.0
131.04939	4.4
131.08537	0.6
132.05746	1.3
133.06514	43.4
133.10129	4.1
134.06900	0.7
143.04988	0.3
143.06062	5.3
143.08585	0.9
146.03702	0.4
146.07277	1.0
149.06024	0.4
161.06010	8.7
161.08093	0.9
161.09671	5.8
161.13281	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	159.1017
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69162	0.3
55.01873	0.3
55.05522	0.5
56.96573	0.3
57.03440	13.5
66.34503	0.2
67.01862	0.5
67.05508	1.1
69.07079	1.5
70.06602	0.2
70.76112	0.2
71.04986	0.2
71.51760	0.3
76.93388	0.5
79.05496	0.4
81.07063	1.3
82.64975	0.2
85.02919	0.3
87.00839	0.4
91.05489	3.9
93.07053	0.4
95.04960	0.2
95.08601	0.5
98.97579	1.1
99.08098	100.0
100.08424	1.5
100.65802	0.2
103.05468	0.6
105.07040	5.0
110.62544	0.3
113.02378	5.8
114.09196	0.2
115.05442	1.6
116.06241	1.3
117.05758	0.5
117.07026	7.6
117.95995	0.5
119.08578	2.9
128.06233	0.7
129.07018	4.5
130.06500	0.4
130.07790	1.6
131.04962	0.7
131.06953	0.4
131.08569	12.2
132.08090	2.0
141.01834	17.0
141.07025	1.0
142.06535	0.3
142.07707	0.5
143.08563	0.4
144.05659	1.3
144.09360	5.9
157.10159	1.1
159.02882	0.5
159.08066	4.5
159.09216	1.3
159.11700	23.2
160.07518	0.3
160.12024	0.5
169.07661	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.1171
Annotation	(1,2,3-Trimethyl-2-cyclopropen-1-yl)benzene
Peak:m/z	Relative Intensity
53.03978	0.8
54.88013	0.8
55.01874	1.5
57.03445	2.0
67.01882	2.4
67.05508	7.1
68.99811	0.6
70.07092	0.6
70.56754	1.9
76.93018	0.5
76.93374	3.5
79.05498	8.7
81.07061	9.3
85.02921	1.3
87.00853	1.4
91.05491	19.6
93.07061	3.2
95.04960	0.9
102.56350	0.6
103.05458	1.1
105.07039	30.7
113.02379	31.0
115.05459	5.4
116.06279	1.9
117.07027	46.2
117.95965	3.3
118.07890	0.9
119.08595	7.4
128.06244	1.1
129.07027	13.7
130.07816	8.0
131.08580	67.7
132.08919	1.3
132.62816	0.6
140.03616	0.7
141.01839	93.3
141.07271	0.8
142.02158	1.5
142.07814	1.8
143.08568	1.4
144.05707	1.4
144.09357	18.1
157.10173	5.0
159.02905	2.0
159.08183	3.6
159.11707	100.0
160.09729	1.1
160.12062	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	161.0297
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80172	0.2
56.96559	0.3
58.99881	0.2
59.47911	0.2
64.35905	0.2
70.23998	0.9
77.65377	0.2
78.72556	0.2
82.99849	5.5
83.99902	0.3
98.97591	0.9
100.97182	0.4
101.00887	50.7
101.95027	0.9
102.00935	2.2
102.96878	0.6
103.00648	0.3
103.04861	0.2
106.96538	0.8
111.00442	0.4
114.32925	0.2
115.97066	1.1
116.98632	0.3
119.01926	100.0
120.02006	3.8
121.01623	0.2
121.02413	0.4
124.02454	0.5
124.97581	1.1
127.47868	0.6
128.47653	0.2
133.98105	1.2
136.48375	2.7
137.02965	16.4
138.03085	0.6
142.03468	1.2
143.01926	0.5
143.03636	1.5
144.03261	0.2
145.48877	3.0
161.02960	5.2
161.04410	0.4
179.04012	4.6
180.04123	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.1068
Annotation	(2E)-2,6-Dimethyl-2,5-heptadienoic acid
Peak:m/z	Relative Intensity
53.03945	4.0
54.42928	1.4
55.01883	4.0
55.05516	30.3
56.05846	2.2
57.03450	8.8
57.07084	30.3
59.05009	4.0
65.03927	4.0
67.05511	83.7
68.05778	1.8
69.03436	3.4
69.07072	15.5
70.95851	7.6
71.01357	11.7
71.05000	65.4
71.10461	3.6
72.93793	51.9
79.05506	7.4
81.03422	2.3
81.07067	54.5
82.06562	2.5
82.07401	6.4
83.05012	8.9
85.06540	11.0
90.94811	10.0
91.05511	4.7
93.07067	10.2
95.04979	29.4
95.08614	57.3
97.06548	3.7
99.04463	43.7
99.08115	5.1
101.06065	2.4
107.08623	3.6
109.02861	2.2
109.06525	10.8
109.08537	3.0
109.10165	88.7
110.06069	1.8
110.06857	2.3
111.04475	4.2
111.06411	2.8
111.08115	5.5
111.98516	2.4
112.07171	3.0
113.05982	8.0
113.96407	27.2
115.05482	2.3
119.08598	2.1
123.04462	6.3
127.03954	3.1
127.09525	2.3
131.96208	5.6
131.97437	9.0
132.95840	13.6
137.06094	2.2
137.09633	14.5
140.06682	2.3
141.07027	3.5
149.97255	4.1
150.96907	9.0
153.07074	4.1
154.07809	1.9
155.03479	5.9
155.07042	8.9
155.09000	100.0
155.10709	8.3
155.14365	2.8
156.09329	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	155.1068
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17160	1.4
52.87263	1.3
53.03956	7.7
55.01865	5.8
55.05275	2.5
55.05518	35.7
57.03436	9.9
57.07082	27.2
59.05007	5.3
65.03939	5.7
67.05513	89.4
69.03418	6.1
69.07087	13.4
69.96204	1.9
70.95863	14.7
71.01358	16.3
71.05000	70.7
71.51402	1.5
72.93797	85.1
73.20457	1.4
79.05093	2.0
79.05483	12.0
81.03419	4.4
81.07062	62.2
82.07392	1.5
83.04998	13.0
83.08623	3.5
83.45437	1.5
85.02906	2.3
85.06564	9.7
88.96896	3.4
90.94837	19.0
91.05472	7.3
93.07062	11.1
95.04992	34.8
95.08618	68.8
97.06528	7.0
98.98476	3.9
99.03851	3.2
99.04467	48.8
99.08090	7.2
101.06044	2.3
101.26884	1.5
103.96764	1.6
105.04482	3.0
107.08597	5.2
109.02872	3.6
109.06522	18.1
109.10169	100.0
110.06033	1.7
110.07171	3.6
110.10516	2.0
111.04457	5.4
111.08090	7.1
111.98509	3.5
113.02348	2.0
113.06031	13.0
113.09662	1.9
113.96414	47.9
115.05445	2.7
119.08585	4.4
123.04437	6.0
127.03931	6.7
127.07529	3.1
128.06218	2.2
129.06999	3.3
131.96162	3.4
131.97440	17.8
132.95866	16.5
137.05988	3.5
137.09645	13.8
140.04659	3.6
141.06998	4.4
149.97198	5.1
150.96895	15.7
153.06979	11.4
154.07753	3.3
155.03394	5.1
155.07062	14.5
155.08566	37.2
155.10596	12.7
155.14261	2.1
156.09126	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	158.0814
Annotation	2-Hydroxyethylclavam
Peak:m/z	Relative Intensity
53.03956	0.6
55.01876	5.8
55.05518	0.6
56.96570	10.5
57.03436	1.0
57.93572	1.2
60.04506	0.5
67.05508	1.1
68.05032	1.0
68.84124	0.4
69.03420	0.8
69.07056	1.0
70.06595	10.6
71.44740	0.5
71.45071	0.5
71.95284	2.9
77.16954	0.4
79.05482	0.7
80.05014	1.2
81.03413	1.2
81.05806	1.5
84.04511	5.5
84.08125	0.9
85.02959	0.4
90.56446	0.5
94.06573	24.0
95.04983	0.9
95.07359	5.6
96.04498	26.3
96.08138	8.3
97.02911	0.8
98.06062	18.4
98.97591	94.7
99.04421	0.6
99.06425	0.4
99.97929	0.5
102.05557	1.0
102.09169	0.4
108.53366	0.4
112.07621	5.2
112.55746	1.0
113.02396	1.0
114.05539	22.5
116.07082	1.7
116.97240	2.6
116.98627	33.4
122.06050	7.1
130.06532	1.0
134.95763	0.5
134.99663	7.6
138.05525	1.8
140.00195	0.7
140.07074	100.0
141.01823	3.4
141.07411	1.5
143.01871	0.7
152.96912	0.9
158.01355	0.5
158.08144	31.2
158.09628	1.9
159.08554	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	154.0864
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.9
55.01865	0.6
55.05268	0.4
55.05516	6.1
56.05033	0.6
56.05833	0.4
58.06584	0.3
64.26756	0.2
65.03934	1.1
65.14661	0.2
66.04266	0.3
67.05509	2.2
68.05020	0.6
68.05833	0.9
68.96326	0.8
69.03422	1.0
69.07066	0.9
70.06602	1.3
70.07403	0.3
70.94256	0.5
71.04984	0.6
71.51321	0.4
71.94096	0.6
72.08129	0.4
72.93796	2.9
79.05496	3.6
80.05013	0.5
80.05827	1.3
81.03410	0.7
81.07067	10.2
82.06594	2.1
82.07387	0.9
83.04973	1.0
83.07364	0.7
83.08630	2.3
84.05306	0.6
84.08150	1.9
87.04469	0.4
87.54731	0.2
90.01350	0.3
90.94826	0.7
91.05485	1.5
92.05812	0.7
93.05804	1.3
93.07043	0.9
94.06527	0.3
94.07382	0.7
95.04980	3.3
95.08611	0.7
96.04505	0.7
96.05326	1.0
96.08166	0.5
96.08927	0.3
97.05287	3.5
97.06549	0.5
98.06056	3.0
98.09705	2.9
99.04453	0.6
107.08582	0.5
108.04457	0.3
108.05406	0.2
108.08116	4.0
108.08926	1.7
109.02879	0.4
109.06531	6.2
109.10151	1.0
110.06052	5.3
110.06803	0.5
110.10505	0.3
111.04441	1.1
111.06844	4.7
111.08058	0.4
112.04797	0.6
112.07615	0.4
112.08410	0.4
113.05986	0.4
113.96409	1.5
123.04436	1.1
123.06797	0.4
124.07589	0.9
125.08363	0.9
126.05508	0.8
126.09167	5.4
126.10027	0.6
127.03906	1.0
129.06970	0.4
130.96333	1.4
131.96086	0.5
131.97459	0.5
136.03807	0.3
136.07574	4.6
136.08447	0.4
137.05952	0.6
138.05505	1.2
139.03905	0.8
139.06285	6.1
140.04677	0.3
148.97359	0.9
152.07068	0.6
153.07048	0.5
154.05147	3.6
154.08640	100.0
155.03395	0.4
155.07069	0.8
155.08727	2.6
155.10623	0.3
163.17940	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	154.0864
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.3
53.92649	0.2
54.51849	0.2
55.04587	0.3
55.05276	0.3
55.05517	4.9
56.05037	0.5
57.07073	0.8
60.22163	0.2
65.03944	0.4
67.05518	1.4
69.03433	0.7
70.06580	1.0
70.28456	0.2
70.82865	0.3
70.83212	0.4
71.05009	1.1
71.94101	0.4
72.93782	1.0
79.05494	2.1
79.27979	0.3
80.05043	0.3
81.03431	0.2
81.07059	7.9
82.06593	1.3
83.07368	0.3
83.08616	1.0
84.04527	0.3
84.08135	0.3
90.51225	0.2
91.05477	0.7
93.05791	0.6
95.04999	0.6
95.08607	0.8
96.04476	0.6
96.08130	0.4
97.05279	2.9
98.06058	2.9
98.09698	2.1
99.04436	0.5
108.08121	2.6
108.08820	0.4
109.06519	5.3
109.10155	1.0
110.06037	4.4
111.06836	4.0
113.96391	0.4
120.83919	0.3
124.07581	0.3
125.08382	0.7
126.09168	3.3
136.03958	0.2
136.07581	0.6
138.05502	0.6
139.06299	4.6
152.07108	0.3
154.08635	100.0
155.09027	1.7
164.70171	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1276
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.00307	1.3
53.03946	3.4
55.01870	3.3
55.05520	16.8
55.75938	1.3
57.03442	6.5
57.07068	5.1
59.05012	8.6
64.97375	1.1
65.03944	15.2
66.14942	1.1
67.05182	2.1
67.05514	25.8
69.03443	8.9
69.07076	28.8
69.68759	3.5
69.69148	2.7
70.94241	3.3
71.05000	15.4
71.94105	1.8
73.06561	6.0
77.03913	1.2
79.05073	1.9
79.05502	29.0
81.07066	51.0
83.04987	15.0
83.08633	6.3
85.06524	1.9
91.05491	19.6
93.03423	11.7
93.07053	63.1
95.04980	100.0
95.08619	40.7
96.05302	1.6
97.06544	32.8
105.07043	8.7
107.04977	7.6
107.08605	87.2
108.08919	1.8
109.06528	15.6
109.10169	35.7
110.03670	3.6
111.04465	14.9
111.08095	18.6
111.11716	2.1
111.96904	2.3
119.08569	1.6
121.06512	1.4
123.11764	1.4
125.06022	7.2
125.09644	6.3
131.62679	1.3
135.04395	2.3
135.08078	25.3
135.11710	36.8
136.07562	1.2
136.12013	1.3
138.03134	1.9
138.06783	3.3
153.01866	1.6
153.05496	12.1
153.07022	3.4
153.09126	16.7
153.10220	2.2
153.12767	44.1
154.04987	1.3
154.08678	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1275
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.03946	4.3
55.01866	2.3
55.05514	19.6
57.03431	2.8
57.07078	2.8
59.05005	8.1
65.03951	18.3
67.05506	15.1
68.99791	2.1
69.03433	6.0
69.07072	19.4
70.19494	5.8
70.94250	6.2
70.95863	1.5
71.05002	28.0
73.06566	20.3
74.84663	1.3
79.05500	39.9
79.05967	2.1
80.04997	1.6
81.07063	100.0
82.04208	2.2
83.04996	11.1
83.08633	3.2
91.05475	17.4
93.03421	12.7
93.07053	56.7
93.07644	2.9
95.04962	14.9
95.08625	14.3
97.02873	2.1
97.06532	19.5
98.21370	1.8
100.69527	1.5
105.07041	7.6
107.04962	7.9
107.08605	56.6
109.06520	7.9
109.10168	13.1
110.03694	7.6
111.04459	19.2
111.08100	13.4
111.96874	2.9
119.08595	2.0
121.06569	2.7
125.05997	12.4
125.09621	4.0
125.72280	1.3
129.97923	2.5
135.04439	6.5
135.08078	10.6
135.11703	28.4
136.07552	1.6
138.03111	3.2
153.01802	4.3
153.05481	14.7
153.06679	2.7
153.09128	14.3
153.12752	19.7
154.04974	2.5
154.08640	4.1
174.83707	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1276
Annotation	Lyratol
Peak:m/z	Relative Intensity
51.71423	1.8
53.00299	1.4
53.03949	2.2
55.01878	2.8
55.05519	20.7
57.03424	1.9
57.07060	2.7
59.05012	9.7
59.55979	1.7
65.03947	8.6
67.05515	40.4
67.87373	1.8
69.03423	4.8
69.07076	17.6
70.20357	1.8
70.91248	4.0
71.05000	35.5
73.06560	23.6
78.67020	1.5
79.01886	1.8
79.05502	49.1
81.03391	1.5
81.07065	100.0
82.07426	1.6
83.04998	13.1
83.08617	2.4
91.05499	22.0
93.03400	7.4
93.07052	40.4
93.66899	1.7
95.01327	2.8
95.05000	9.5
95.08615	13.7
97.06560	12.5
105.07044	6.8
107.04971	8.0
107.08606	68.9
108.08157	1.6
109.06510	5.3
109.10182	18.2
110.03651	8.4
111.04457	23.3
111.08095	14.1
125.06020	9.9
125.09644	6.1
135.08066	14.6
135.11699	19.5
138.03172	2.0
141.61694	1.6
148.54005	1.7
153.05508	8.2
153.09117	12.1
153.12755	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	153.1275
Annotation	Lyratol
Peak:m/z	Relative Intensity
52.50628	1.4
53.00311	2.4
53.03952	3.9
55.05515	16.7
58.39649	1.7
59.05005	9.3
60.60918	1.5
65.03934	5.1
67.05499	7.8
69.03435	2.4
69.07074	12.5
69.97136	5.1
69.97548	2.3
70.94247	1.7
71.05003	34.1
73.06557	19.6
79.05504	36.1
81.07067	100.0
83.04984	3.8
83.08630	3.3
91.05493	11.6
93.03416	3.0
93.07052	44.7
95.04984	8.2
95.08617	11.6
97.06531	11.2
97.33070	1.6
105.07033	4.3
107.04955	1.9
107.08604	44.9
107.60997	1.5
109.06552	1.8
109.10165	10.6
111.04446	4.3
111.08086	7.0
125.06021	2.7
125.09652	6.8
135.08104	2.4
135.11726	24.9
140.67274	1.3
153.05504	4.9
153.09106	4.5
153.12778	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	153.1275
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.00307	2.0
53.03933	4.5
53.19684	1.4
55.01852	1.3
55.05516	15.7
55.56240	1.2
57.03427	2.2
59.05005	8.0
65.03928	4.7
67.05502	5.1
69.03429	5.5
69.07076	10.8
69.36647	9.9
70.94300	2.0
71.05006	32.3
71.94124	1.1
73.06563	21.2
79.05068	2.3
79.05498	29.7
81.07066	100.0
82.07372	1.7
83.04975	5.8
83.08620	3.9
89.79891	1.4
91.05487	11.9
93.03403	3.5
93.07051	45.4
95.04977	4.7
95.08617	8.6
97.06541	8.6
98.20710	2.3
105.07050	4.1
107.08606	41.2
109.06544	2.8
109.10171	8.3
111.04433	2.2
111.08102	7.7
113.03539	1.3
114.98295	1.5
119.08586	2.1
120.09359	1.4
125.02354	1.6
125.05992	2.4
125.09641	1.6
135.08032	4.5
135.11714	24.6
153.05502	2.1
153.09113	3.8
153.12764	12.2
154.04956	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1275
Annotation	(+)-PERILLYL ALCOHOL
Peak:m/z	Relative Intensity
53.03934	2.9
55.01854	1.8
55.05515	12.6
57.03441	4.8
57.07066	3.0
57.29821	0.7
59.04998	2.0
65.03663	1.0
65.03949	9.8
67.05511	35.3
69.03445	3.8
69.07074	60.8
69.70689	1.8
69.71095	3.6
70.06590	0.8
70.94263	7.2
70.95848	3.2
71.04979	3.1
71.94113	5.1
71.95274	1.9
73.06544	0.9
79.05499	29.5
81.07064	43.7
82.06599	1.3
82.07403	0.9
83.04989	8.3
83.08624	6.4
85.02917	1.7
85.06535	2.2
88.95312	1.3
91.05491	6.6
93.03416	4.7
93.07053	53.1
94.07355	1.2
95.04987	4.5
95.06098	1.0
95.08616	20.4
97.05926	1.3
97.06538	23.1
105.04517	1.2
105.07043	1.5
107.04935	2.5
107.08604	56.1
108.08145	1.2
109.06518	1.4
109.10168	39.1
110.03670	2.6
111.04488	8.0
111.05551	1.1
111.08085	8.1
111.96883	4.9
112.96708	1.9
125.05992	6.1
125.06831	0.9
125.09638	1.0
126.05482	1.2
126.06311	1.6
126.09158	1.4
129.97917	1.2
135.04367	1.3
135.08112	1.6
135.11700	100.0
136.04007	1.6
136.07550	2.2
136.12033	3.2
150.43411	0.7
153.01897	1.1
153.05522	5.1
153.07584	4.1
153.09177	1.8
153.12759	80.5
154.04993	2.6
154.08649	3.0
154.13123	1.9
154.15924	0.8
155.95889	0.9
169.97520	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1276
Annotation	(R)-(+)-Pulegone
Peak:m/z	Relative Intensity
53.03951	3.5
55.05518	16.5
57.03425	1.8
59.05018	9.5
65.03944	2.8
67.05502	9.1
69.03437	3.6
69.07084	13.3
70.82354	3.5
71.05003	30.5
73.06564	21.2
76.12457	1.3
79.05501	32.3
81.07070	100.0
83.04976	6.5
83.08627	2.0
91.05497	11.5
93.03392	2.8
93.07065	49.4
95.04968	4.8
95.08626	11.2
95.10362	1.4
97.06537	11.8
105.07035	3.6
107.07890	2.2
107.08611	42.5
109.06561	2.1
109.10176	12.3
111.04494	1.6
111.08104	6.8
111.11698	1.5
119.08559	2.2
125.98484	1.5
135.11722	26.7
153.12772	11.3
154.08603	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0912
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24357	0.3
53.03943	1.9
55.01870	2.1
55.05517	3.5
56.39005	0.3
57.03442	2.6
57.07083	0.7
58.36254	0.3
59.05003	1.1
61.18761	0.3
65.03942	5.5
67.05508	5.7
67.94521	0.4
68.99819	0.4
69.03429	3.8
69.07070	3.7
69.70020	0.3
70.94254	0.9
71.01351	0.9
71.05005	2.3
71.51379	0.6
71.94104	0.9
73.06565	1.0
77.03901	0.3
79.05498	24.6
80.05826	0.5
81.03410	0.3
81.07061	11.6
81.07536	0.7
83.01369	1.0
83.04987	3.3
83.08616	0.8
85.02888	0.4
91.05486	23.7
92.06280	1.0
93.03408	2.7
93.07047	12.1
94.07380	0.4
95.04972	30.5
95.08614	7.4
95.09210	0.2
96.05266	0.5
97.02879	0.8
97.06528	4.3
105.04553	0.4
105.07040	9.4
106.04226	0.4
107.04953	1.8
107.08600	38.7
108.08937	0.6
108.09785	0.3
109.06522	22.1
109.10162	3.7
110.03665	1.1
110.06078	0.4
111.04444	2.7
111.08073	5.5
111.96863	0.8
112.96741	0.5
115.05444	1.5
117.06999	1.1
119.06082	2.5
121.02880	3.6
121.06481	0.5
123.04456	0.4
123.08044	0.6
125.06023	3.0
125.09631	4.8
126.09132	0.6
135.08060	100.0
135.11661	4.5
136.07564	0.4
136.08411	2.7
138.06761	3.6
141.96313	0.3
153.01834	0.8
153.05605	2.7
153.06573	0.9
153.09111	35.2
153.12718	4.0
154.05016	0.5
154.08586	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1275
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00295	1.3
53.03952	4.7
55.01878	2.1
55.05521	21.3
57.03442	3.2
57.07066	3.3
59.05002	8.4
65.03960	6.9
67.05514	15.3
69.03442	3.0
69.07076	17.4
71.05003	33.7
73.06567	17.7
79.05502	39.8
81.03406	1.4
81.07066	100.0
82.07372	1.7
83.04984	7.3
83.08632	2.6
87.10764	1.0
91.05486	13.1
93.03415	3.9
93.07055	44.6
95.04979	9.2
95.08622	9.6
97.06546	13.2
105.07028	3.6
107.04969	3.9
107.08607	47.6
109.06546	3.4
109.10172	12.5
110.03681	1.8
111.04459	6.9
111.08086	9.7
119.06117	1.2
119.08560	2.0
121.02888	6.1
125.05988	3.6
125.09668	3.6
129.99385	1.1
135.04485	1.8
135.08064	3.7
135.11703	24.9
138.03175	1.6
153.01872	2.7
153.05508	5.0
153.09135	6.5
153.12775	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	153.0912
Annotation	2,6,6-Trimethyl-2-cyclohexene-1,4-dione
Peak:m/z	Relative Intensity
53.03955	1.7
55.01884	1.7
55.05520	3.5
57.03445	2.2
57.07080	0.7
59.05009	1.4
65.03942	5.6
67.05508	4.8
68.99776	0.4
69.03439	3.5
69.07083	2.7
69.55598	1.4
69.56012	0.8
70.94261	0.8
71.01350	0.8
71.05006	2.6
71.94107	0.5
73.06569	1.5
74.26299	0.4
79.05502	25.4
80.05862	0.6
81.03431	0.4
81.07067	13.5
83.01340	1.0
83.04984	3.8
83.08631	0.8
91.05489	22.4
92.06278	0.9
93.03404	2.7
93.07052	10.8
95.04978	28.8
95.08625	5.2
97.02882	0.6
97.06534	4.2
98.20811	0.5
105.04494	0.6
105.07048	8.7
107.04965	1.7
107.08604	38.3
108.08944	1.0
109.06526	20.4
109.10178	3.0
110.03683	1.1
111.04446	2.5
111.08092	6.1
111.96857	0.7
115.05474	1.5
115.81251	0.4
117.07024	1.5
119.06091	3.3
120.05724	0.5
121.02898	4.1
123.04407	0.5
123.08038	0.7
125.02377	0.4
125.05999	2.1
125.09634	5.6
135.08066	100.0
135.11655	4.5
136.08423	2.4
138.03082	0.6
138.06779	3.3
153.05560	2.7
153.09119	33.6
153.12724	3.3
154.09535	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0912
Annotation	3-Isopropylcatechol
Peak:m/z	Relative Intensity
51.61655	0.9
53.00309	1.3
53.03939	4.8
55.01876	5.5
55.05272	1.2
55.05514	20.8
57.03439	4.4
57.07067	1.4
59.05000	4.7
65.03942	15.9
67.05508	79.9
68.05838	2.2
69.03432	6.2
69.07070	11.5
70.94260	1.7
71.04999	23.1
71.42860	1.0
73.02923	5.6
73.06181	1.1
73.06563	15.2
79.05498	70.5
80.05011	1.2
81.07059	88.9
82.07363	1.3
83.04982	20.8
83.08596	1.8
85.06509	0.9
91.05483	25.6
91.94930	0.8
93.03412	15.7
93.07048	39.5
94.16069	0.9
95.01331	2.4
95.04977	21.6
95.08607	7.7
97.02860	1.1
97.06536	13.6
97.10134	1.8
105.04498	1.5
105.07044	10.3
106.04157	0.9
107.04977	6.0
107.08600	100.0
108.08912	1.1
109.06500	7.7
109.10172	18.4
110.03664	7.8
111.04449	47.7
111.08083	14.3
111.96819	1.0
115.05438	1.2
117.07025	3.7
119.06040	3.1
120.89609	0.9
121.06497	1.6
123.04446	0.9
123.08080	1.4
125.06007	11.9
125.09612	7.4
135.08063	24.5
135.11696	19.0
138.03018	1.3
138.06783	2.6
153.01819	0.9
153.04382	1.4
153.05534	7.6
153.06676	1.3
153.07095	0.9
153.09105	23.8
153.12730	8.1
154.08653	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	152.0709
Annotation	2-Descarboxy-cyclo-dopa
Peak:m/z	Relative Intensity
50.10659	0.2
51.71274	0.2
53.03960	0.4
55.01873	0.5
55.05521	0.2
56.96569	13.5
57.03445	1.9
58.56498	0.2
58.99762	0.3
59.05016	0.3
61.02927	0.7
64.99751	0.4
65.03954	1.0
66.00526	0.3
67.05513	1.3
68.00282	1.0
69.03439	1.8
70.21964	0.7
71.95268	1.3
72.96049	0.3
73.02922	0.6
74.00269	1.1
74.97612	0.3
75.01054	0.4
75.04485	0.3
77.00796	0.6
79.05502	0.6
80.00266	0.4
81.01056	0.2
81.03428	0.8
83.00786	2.8
83.04994	0.6
84.01585	0.3
84.96038	0.7
85.01454	0.2
85.02914	1.3
86.67278	0.2
87.01039	0.6
87.04486	0.6
89.00783	1.4
90.01566	0.6
92.01308	1.4
92.05010	7.0
93.01024	0.4
93.03390	0.3
93.05779	1.7
94.06590	0.6
95.00780	0.3
96.01559	1.8
96.04482	0.3
97.00507	0.3
97.02383	0.2
97.02880	1.1
97.96835	0.2
98.01313	1.8
98.20864	0.2
98.97590	30.7
99.04497	0.2
99.97932	0.7
100.02492	0.3
100.99142	0.5
101.00873	0.3
102.01553	1.8
103.02486	0.2
104.01256	0.4
105.02081	1.4
106.06552	0.7
107.01833	1.1
107.07306	0.3
109.05099	0.2
110.03555	1.2
110.06055	5.9
110.06790	0.4
110.97574	10.6
111.02076	5.5
111.02866	0.4
111.04442	0.5
111.52200	0.5
111.97869	0.2
112.99143	0.7
113.00844	0.3
115.02428	0.4
116.98629	8.0
117.04001	0.6
119.00197	0.4
119.01854	0.7
119.51988	0.2
120.02588	10.1
120.52747	0.6
122.06059	2.1
123.06815	0.6
124.03971	0.5
124.07623	0.7
125.04726	0.8
125.06017	0.2
128.98618	7.3
129.00266	0.4
129.02161	0.4
129.03120	5.1
129.03990	0.8
129.53285	0.4
131.00223	0.4
131.01906	0.4
134.04700	0.2
134.06013	1.0
134.99663	0.8
135.03041	2.1
135.05066	0.3
138.03581	0.2
138.05501	0.9
140.00218	0.3
141.02109	0.2
141.03096	0.3
143.00188	0.5
143.01888	0.6
144.98029	0.3
146.99654	2.1
147.01401	0.6
147.04962	1.2
148.05188	0.2
152.05737	7.7
152.07063	100.0
153.04082	1.8
153.07399	2.3
155.00194	0.3
158.99672	3.1
159.03343	0.2
159.04895	0.2
161.01234	0.5
161.02940	0.3
161.06607	0.5
170.99628	0.2
173.01199	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0756
Annotation	875-59-2
Peak:m/z	Relative Intensity
51.02378	0.6
53.03948	1.7
54.94164	0.4
55.01869	1.6
55.05521	4.7
57.03423	1.1
57.07064	0.4
59.04993	0.4
65.03954	3.0
66.04728	1.4
67.05511	13.5
69.03430	1.7
69.07075	1.4
69.41064	2.9
71.05015	0.9
75.46500	0.4
77.03937	0.6
78.04709	1.5
79.05499	11.7
80.05930	0.4
80.06295	3.9
81.03432	0.8
81.06588	0.8
81.07066	14.7
83.04990	1.5
85.06530	0.7
90.04710	2.4
91.05495	22.2
93.03417	1.1
93.07056	10.3
94.04205	0.9
95.01360	0.5
95.04987	7.5
95.08621	7.4
97.06520	0.6
98.20764	0.8
98.53734	0.4
103.05506	0.6
105.03427	2.4
105.04528	0.6
105.07043	16.5
106.04194	2.8
106.06568	0.7
107.04971	32.4
107.08605	12.5
108.02076	1.0
108.04618	0.5
108.05756	13.1
109.06543	8.5
109.10168	5.4
110.07345	0.4
118.04179	1.6
119.04967	1.3
119.06130	0.6
121.06494	0.5
121.10178	0.6
123.04443	5.3
123.08089	5.1
123.11702	3.4
131.08623	0.6
133.06480	1.6
133.10144	12.6
135.04443	8.3
136.04433	0.5
136.05246	5.7
151.03935	5.3
151.07561	100.0
151.11176	15.0
152.08040	1.9
152.11542	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1119
Annotation	(+)-Sabinone
Peak:m/z	Relative Intensity
53.03944	5.7
55.01886	2.6
55.05517	18.4
57.03422	1.5
57.07067	5.5
59.05003	19.3
63.63231	1.1
65.03951	7.3
65.41773	1.1
67.05510	43.0
69.03432	13.8
69.07072	60.9
69.75033	6.0
71.04983	3.7
77.03931	1.3
79.05500	18.7
81.03402	3.4
81.07062	100.0
83.04971	2.7
83.08604	2.0
84.55469	1.2
91.05492	30.8
93.07050	25.5
95.04976	26.4
95.08609	21.7
95.44736	1.3
97.06551	2.7
98.21490	2.3
105.07039	38.0
107.04974	3.9
107.08598	33.2
108.02088	4.1
108.05736	1.3
108.08888	1.3
108.43961	1.3
109.06525	51.0
109.10162	47.1
109.10933	1.4
118.01218	1.5
118.36800	1.2
119.04945	3.3
119.06080	3.8
121.06531	2.3
121.10156	8.2
123.04429	18.1
123.08090	23.3
123.11716	44.4
131.08597	1.4
133.06454	2.3
133.09158	1.6
133.10138	25.1
136.08810	1.6
151.02786	2.3
151.03922	23.2
151.05052	5.0
151.07581	13.0
151.11194	69.6
169.96353	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1119
Annotation	4-Isopropyl-2-methylphenol
Peak:m/z	Relative Intensity
53.03939	1.3
55.01867	1.4
55.05264	0.6
55.05514	5.5
57.03447	0.6
57.07074	1.3
59.04993	1.8
61.97811	0.4
62.34814	0.4
65.03954	2.4
65.80080	0.4
67.05189	0.7
67.05515	9.6
69.03425	2.2
69.07072	2.7
70.68936	1.0
70.69273	0.6
79.05495	7.3
80.06303	0.5
81.03419	1.2
81.07063	19.6
83.04986	0.7
91.05491	16.6
93.07052	6.1
95.04981	6.2
95.08614	9.0
97.06552	2.3
103.05455	0.6
105.07039	17.5
107.04984	1.0
107.08604	7.4
108.05748	1.2
109.02860	0.4
109.05802	0.9
109.06529	15.6
109.10167	11.9
109.10864	0.4
119.04948	4.2
119.05746	0.6
119.06105	0.6
121.06490	1.0
121.10164	3.2
123.04447	3.6
123.08083	7.5
123.11707	5.5
131.08563	0.9
133.06508	0.6
133.10153	5.9
136.05206	1.4
136.08839	2.4
151.02885	0.9
151.03929	2.2
151.07576	7.9
151.11195	100.0
152.11555	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1328
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	6.5
55.01875	3.8
55.05512	4.3
56.00340	1.6
60.35794	1.3
65.03612	2.6
65.03952	50.5
67.05511	2.9
69.03412	2.0
69.07066	4.7
69.62627	6.9
70.29227	1.7
72.76198	1.6
77.37421	1.5
78.04736	1.8
79.05500	24.2
80.52993	1.5
81.07053	6.7
86.16183	1.4
91.05493	47.2
92.05786	1.8
93.03413	13.2
93.07055	46.9
95.04961	5.8
95.08633	2.0
98.21496	2.9
103.05486	11.1
105.07043	40.4
106.04167	2.4
106.07823	4.7
107.04968	7.1
107.07898	1.7
107.08613	28.8
109.06535	4.6
111.04460	4.7
115.05453	1.9
116.06248	6.5
119.08613	9.0
121.02882	51.2
121.03988	17.8
121.06528	18.5
121.10162	63.9
121.11050	3.1
122.10486	2.2
123.08107	3.4
129.07016	4.3
131.04945	4.0
131.08603	12.3
133.06554	1.7
133.07608	4.6
134.07262	3.4
144.06000	1.7
149.02367	100.0
149.05989	4.6
149.09637	46.7
149.13258	7.5
150.02663	1.9
151.42403	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1327
Annotation	Multifidene
Peak:m/z	Relative Intensity
53.03933	3.5
55.01862	2.0
55.05497	4.2
57.07078	2.3
63.58603	1.3
65.03942	20.7
65.05936	1.2
65.40448	1.3
67.05495	2.9
69.03435	1.8
69.07058	5.6
69.29760	9.8
76.28543	1.5
79.05505	18.4
81.07052	4.2
81.48048	1.2
91.05486	25.7
93.03400	3.5
93.07056	28.0
95.04990	3.5
95.08582	1.4
98.20783	2.0
103.05485	8.0
105.07043	42.3
106.04169	1.8
107.08603	43.6
109.06495	1.9
111.04498	2.5
116.06277	1.6
119.06120	2.4
119.08585	10.4
121.02857	18.9
121.03985	7.0
121.06503	5.0
121.10155	100.0
122.10480	2.1
123.08055	3.3
131.04939	4.4
131.08612	1.5
133.07658	6.1
133.10149	3.0
134.10905	2.8
138.79227	1.5
149.02356	35.8
149.09654	10.7
149.13275	14.4
151.02426	2.1
169.03474	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	149.1327
Annotation	Multifidene
Peak:m/z	Relative Intensity
50.50565	1.0
51.02376	1.7
52.20533	1.0
53.03934	5.2
53.23219	1.1
55.01865	3.4
55.05504	4.6
57.07090	2.0
59.88013	1.0
63.02433	1.2
64.86823	1.0
65.03945	47.0
67.05498	4.2
68.37193	1.0
69.07063	6.6
70.26866	1.0
71.51421	1.1
71.51822	1.3
72.77317	1.2
78.04716	1.5
78.13088	1.1
79.05495	16.9
81.07058	7.1
89.03891	1.3
91.05491	32.7
93.03416	10.4
93.07050	47.9
93.07644	2.6
95.04975	3.7
95.08604	2.0
98.03674	2.3
103.05485	11.6
105.04539	3.0
105.07041	37.9
106.04186	4.8
106.07827	1.9
107.04980	1.7
107.08607	37.2
109.06529	2.2
111.04434	7.1
115.05490	1.8
116.06277	1.9
119.08604	9.6
121.02876	56.2
121.03986	19.0
121.06515	12.4
121.10153	65.8
122.03174	1.3
123.08036	2.8
131.04897	6.0
131.08585	3.5
133.07648	3.7
133.10126	1.8
134.03612	1.4
134.07277	1.7
149.02357	100.0
149.06015	5.8
149.09633	28.4
149.13252	11.8
150.02661	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	151.0393
Annotation	7-Hydroxy-1(3H)-isobenzofuranone
Peak:m/z	Relative Intensity
50.01602	0.5
51.02378	1.2
53.00317	1.2
53.03956	8.8
54.50098	0.5
55.01886	3.6
55.05519	7.4
56.63172	0.5
57.03449	0.8
57.07085	1.4
58.48777	0.5
59.05004	1.4
65.03950	9.1
67.05515	27.7
68.99788	1.0
69.03433	2.5
69.07084	4.0
69.57790	4.0
71.05003	1.0
77.03947	4.5
79.05507	12.3
80.02634	0.8
81.03421	2.5
81.07071	24.9
83.04977	1.1
85.02931	0.7
91.05497	16.9
93.07057	9.3
95.04986	27.6
95.08618	6.7
96.05334	0.8
97.06553	1.7
98.21561	1.1
103.05518	0.8
105.03410	6.3
105.04516	3.5
105.07051	12.8
107.04960	5.4
107.08611	10.3
108.02119	6.3
108.05751	1.1
109.02846	0.7
109.06535	12.6
109.10171	10.5
111.04426	1.2
119.04976	3.0
121.03992	0.7
121.06563	0.6
121.10165	1.8
123.04453	12.1
123.08080	9.0
123.11735	7.6
127.07568	1.1
131.08553	0.7
133.02888	2.7
133.06502	1.6
133.10168	8.1
136.01566	0.7
137.06059	0.6
141.05499	4.0
151.03944	100.0
151.05074	16.0
151.07550	13.1
151.11214	19.1
151.12352	1.1
152.04233	1.5
152.07068	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0964
Annotation	4-Isopropyl-2,4,6-cycloheptatrien-1-one
Peak:m/z	Relative Intensity
52.64873	1.4
53.03961	8.3
54.68547	1.6
55.01877	2.9
55.05511	2.1
65.03956	11.6
66.35522	1.4
69.03429	6.9
70.48813	4.0
79.05505	29.4
81.07070	3.7
91.05500	78.3
93.03430	3.2
93.07054	38.2
95.04980	4.9
98.20847	1.9
100.46187	1.5
103.05489	11.2
105.04520	2.8
105.07047	61.1
106.07829	5.8
107.04992	2.8
107.08604	6.3
109.06540	6.1
112.82942	1.5
115.05471	8.9
116.06267	33.7
116.07085	1.1
116.46039	1.6
119.08608	12.5
121.02891	10.8
121.03995	2.4
121.06537	23.5
121.10162	50.6
123.08072	2.3
128.06233	2.0
129.07037	8.4
131.08597	36.5
133.06593	2.2
133.07642	6.3
134.07292	5.6
147.08104	4.9
149.02377	15.6
149.09645	100.0
150.09914	2.6
154.71211	1.4
159.44714	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0963
Annotation	5,6,7,8-Tetrahydro-2-naphthol
Peak:m/z	Relative Intensity
51.02390	1.0
53.03941	2.8
55.01868	1.8
55.05519	1.6
58.60592	0.7
59.66938	0.8
65.03950	23.5
67.05509	1.5
67.18365	0.8
69.03410	0.8
69.07079	1.2
77.03944	1.6
79.05496	9.2
81.07052	3.1
91.05493	35.7
93.03391	4.7
93.07061	17.9
93.16508	0.9
95.04967	2.1
103.05474	3.8
105.04523	1.6
105.07038	10.5
106.04202	1.9
106.07803	1.3
107.04986	2.5
107.08612	7.1
109.06525	3.7
111.04485	1.8
115.05468	2.3
116.06253	2.9
119.04995	0.9
119.06065	2.1
119.08611	2.9
121.02882	26.4
121.03991	8.1
121.06524	100.0
121.10155	12.9
122.03201	1.0
122.06866	2.5
123.08008	1.0
129.07040	1.0
131.04901	1.2
131.08575	3.0
133.07654	1.0
134.07295	3.4
149.02368	42.8
149.06044	4.3
149.09645	43.5
149.13268	1.6
150.02773	1.2
169.03485	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0963
Annotation	4-Isopropyl-2,4,6-cycloheptatrien-1-one
Peak:m/z	Relative Intensity
50.07711	1.2
51.02375	1.5
53.03934	5.2
55.01872	4.1
55.05506	3.2
56.66318	1.0
65.03947	52.3
67.05507	1.5
68.86313	1.1
69.03418	3.2
69.07063	3.9
70.68102	2.6
79.05497	17.5
81.07050	5.3
84.16679	1.1
84.98611	1.2
91.05486	34.4
93.03417	11.2
93.07053	36.1
95.04960	2.9
98.03680	1.2
103.05477	9.6
105.04485	1.8
105.07040	32.2
106.07855	2.3
107.04950	5.6
107.08604	19.9
109.06522	2.7
110.90276	1.1
111.04464	6.4
115.05415	1.3
116.06244	7.2
119.08566	6.1
121.02879	57.0
121.03985	20.2
121.06520	11.8
121.10155	47.5
122.03210	1.7
123.08064	3.1
129.06952	1.6
131.04945	3.1
131.08603	10.2
133.07579	2.2
134.07285	1.5
149.02357	100.0
149.06003	3.2
149.09637	43.1
149.13246	5.9
150.02693	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.06
Annotation	Vinyl benzoate
Peak:m/z	Relative Intensity
51.02392	0.8
51.41219	0.6
51.47762	0.6
53.03955	8.0
55.01885	5.5
55.05507	0.8
55.40336	0.7
56.83963	0.6
57.03425	0.6
58.05755	0.6
62.68698	0.6
65.03948	40.6
67.05488	0.7
68.99783	1.4
69.03439	1.2
69.15714	1.0
69.16115	6.2
71.13700	0.7
74.08129	0.6
77.03932	2.3
78.04704	0.7
79.05505	6.5
80.02662	1.1
81.03432	1.7
81.07052	2.0
91.05495	15.6
93.03411	8.7
93.07055	14.2
95.04993	8.5
98.03683	1.4
103.05481	11.2
105.03405	100.0
105.04542	5.5
105.07027	5.6
106.03728	2.8
107.04964	3.1
107.08604	4.3
108.04504	0.9
109.02878	1.0
109.06532	1.2
111.04445	5.1
116.06287	1.3
119.04971	1.4
119.08585	0.9
121.02886	58.1
121.03990	17.1
121.06514	21.5
121.07388	1.1
121.10149	3.5
122.03179	1.3
131.04968	3.4
131.08578	2.4
134.07356	1.0
149.02364	82.7
149.05998	36.9
149.09630	9.9
149.13271	0.7
150.02669	2.1
150.06607	1.0
150.07767	4.9
150.08900	0.9
158.14334	0.7
158.25041	0.8
169.03502	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0599
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.3
55.01880	3.0
55.05508	1.7
55.19241	0.5
56.05035	0.9
56.96566	30.1
57.03450	0.6
57.07076	0.6
57.11756	0.6
60.95852	0.9
65.03944	36.0
66.04272	0.5
67.05511	8.8
68.99802	0.7
69.03435	27.9
69.07078	4.3
69.16416	6.0
70.03768	1.6
71.04991	1.0
71.95252	0.8
72.08177	0.6
74.97610	0.9
79.05497	2.1
80.02635	0.8
81.03416	0.7
81.07056	1.2
82.06583	2.1
83.04973	1.5
83.27548	0.5
84.08147	15.8
85.04825	0.7
91.05489	4.2
93.02840	0.9
93.03402	8.6
93.07044	3.7
94.06573	12.9
95.04984	1.3
95.43410	0.5
98.03660	1.2
98.20680	1.1
98.97549	0.9
100.99162	1.3
102.03357	3.7
103.05473	1.5
105.07033	1.3
106.06569	3.3
107.04949	0.8
107.08656	0.8
109.99174	2.3
110.97608	0.6
111.03240	0.6
111.03848	1.8
111.04498	6.7
112.07613	100.0
113.07957	4.0
119.00224	1.1
121.02874	38.4
121.03982	14.0
121.06483	5.3
121.10126	0.6
122.03205	0.8
122.06036	6.1
122.09708	0.7
123.07894	0.7
124.04675	0.9
128.00229	1.4
128.98659	0.7
130.08647	34.4
131.04906	0.8
131.08965	2.0
138.02277	0.5
149.02351	75.5
149.05988	3.8
149.07109	1.3
149.09642	1.2
149.10728	0.7
150.02663	1.9
150.05524	8.0
150.07732	1.2
150.09145	1.4
156.03328	80.4
157.03685	3.6
158.06660	0.7
163.02693	0.6
167.03432	0.7
168.03311	8.6
168.06573	1.1
169.03474	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	149.0963
Annotation	4-Isopropyl-2,4,6-cycloheptatrien-1-one
Peak:m/z	Relative Intensity
51.02389	2.3
53.03936	7.1
55.01878	15.4
55.05503	7.3
64.96758	2.5
65.03622	3.8
65.03948	60.0
65.94828	2.1
67.05501	7.4
69.03438	31.3
70.68374	2.9
70.68691	5.6
77.03911	3.6
78.04720	2.5
79.05503	40.6
80.02680	2.8
81.07053	12.1
91.05492	100.0
93.03429	13.5
93.07053	87.1
95.04990	28.2
103.05474	22.7
105.04519	4.9
105.07047	54.5
106.07860	3.9
107.04962	7.1
107.08601	28.7
109.06504	6.9
111.04448	6.5
115.05458	5.2
116.06237	18.6
119.06039	2.9
119.07814	2.5
119.08578	11.9
121.02010	3.8
121.02881	60.4
121.03990	13.6
121.06509	22.9
121.10161	36.5
129.07005	9.4
131.04950	4.7
131.08582	55.1
133.07658	5.1
134.07350	3.4
149.02359	97.2
149.05998	7.0
149.09639	63.7
149.10768	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	148.0607
Annotation	L-Glutamate
Peak:m/z	Relative Intensity
53.03947	0.6
55.01866	1.3
55.05508	2.5
56.05039	6.5
56.96568	22.0
57.03435	5.0
57.07069	1.1
58.06610	0.6
58.99843	0.5
60.01395	0.3
60.95849	1.1
61.02930	1.9
64.95551	1.1
65.03947	1.8
66.00526	0.4
67.02174	0.6
67.05512	2.7
67.45121	0.3
68.00265	0.4
69.03436	5.3
69.07074	0.5
69.31719	3.2
70.03757	0.5
70.06599	0.6
71.01360	1.0
71.04990	1.3
71.95248	0.7
72.01400	0.6
73.02132	0.4
73.02917	1.5
74.00259	1.2
74.00671	0.9
74.06080	7.4
74.97619	0.6
75.01050	1.4
75.01917	1.3
76.02708	1.3
79.94231	0.6
80.00270	0.5
80.02946	0.9
81.01062	0.5
81.01913	1.7
81.03417	1.7
82.01433	0.5
82.02694	1.4
82.06598	0.3
82.99842	0.4
83.00791	1.8
83.04974	1.7
83.52345	0.3
84.01601	1.9
84.04508	100.0
84.08147	2.3
84.96059	1.0
85.01422	1.2
85.02135	0.4
85.02899	5.7
85.04269	0.7
85.04835	5.8
85.06544	9.2
85.08491	0.9
86.51833	0.4
86.52707	0.6
87.01884	1.6
87.04482	0.6
88.01826	0.8
88.02686	4.9
88.03987	0.9
89.00787	1.5
90.01543	0.4
91.05471	0.7
92.01350	0.4
92.05827	1.1
93.01951	1.2
93.02829	0.5
93.03391	0.4
93.07050	0.5
93.99982	0.5
94.01798	0.4
94.02683	6.4
94.52789	0.5
95.01343	0.9
95.03467	1.0
95.04977	0.6
96.01571	1.0
96.02439	1.1
97.01416	0.5
97.02811	0.6
97.03288	0.7
97.99204	1.1
98.01305	0.9
98.97591	9.2
99.04457	1.0
100.02579	1.4
100.07679	0.5
100.99158	0.9
101.00902	4.3
101.02440	0.4
101.03439	1.0
102.00117	0.4
102.01566	0.9
102.02378	0.9
102.03377	1.5
102.04858	0.8
102.05548	15.8
102.09200	1.1
102.96862	0.6
103.00518	1.9
103.02439	2.7
103.03210	5.4
103.53291	0.4
105.02109	0.4
106.96573	4.1
107.03451	0.3
108.02424	0.4
109.03165	1.1
110.02148	0.4
110.97614	0.9
111.00835	0.4
111.02087	1.6
111.02925	0.6
111.03823	0.7
111.03984	0.5
111.04520	2.1
112.01031	0.7
112.03714	4.2
112.07602	1.0
112.53790	0.6
112.99126	0.9
113.00923	1.6
113.02397	1.6
115.00665	0.6
115.02451	2.0
115.03136	0.4
116.98646	2.4
118.03642	0.7
119.00200	0.9
119.01920	4.7
119.52004	0.7
120.01224	0.5
120.02637	2.2
120.04439	0.4
120.05284	0.9
120.08072	0.4
120.97950	0.5
121.02885	1.4
121.04205	2.5
124.04642	0.7
124.97616	1.7
124.99113	0.7
124.99977	0.7
127.02366	0.5
127.04014	0.3
128.98619	1.1
129.03992	0.6
130.05006	7.5
130.08650	0.6
131.00232	1.7
131.01912	4.5
131.05376	2.3
131.55209	0.3
132.02049	0.5
133.01733	1.1
133.03471	6.6
134.00496	3.2
134.03600	0.5
134.99667	0.7
137.02936	0.4
142.98653	0.9
143.00171	0.8
143.01930	1.4
143.03448	0.4
145.01689	0.7
145.03435	1.6
146.99687	0.6
148.03896	1.2
148.05043	0.4
148.06128	1.2
148.07599	1.0
148.09677	1.0
148.11328	0.6
149.01212	1.4
149.02391	2.4
151.02760	0.4
151.04515	1.8
155.01913	0.4
157.03516	1.7
161.01324	0.4
161.02985	1.5
163.02769	1.1
163.04709	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.1171
Annotation	Viridiene
Peak:m/z	Relative Intensity
53.03946	2.2
55.01886	1.3
55.05522	9.6
57.03432	2.2
65.03948	7.1
67.05502	2.6
69.03426	3.4
69.07067	2.5
71.40043	1.3
76.92441	0.7
77.03934	1.2
79.05502	5.8
79.23491	0.8
81.03477	0.9
81.07081	1.6
83.04969	1.0
84.04518	2.9
84.08161	1.3
85.02912	2.4
87.01128	0.8
87.57015	0.8
88.04019	1.1
90.24523	0.8
91.05497	100.0
91.34225	0.8
92.05827	2.6
93.07047	4.6
95.04986	0.7
103.05458	4.1
103.40991	0.7
104.06277	1.9
105.07050	73.5
106.07320	1.3
107.04963	1.9
107.08588	5.0
115.05458	2.9
116.06200	0.8
117.07049	15.3
119.04971	44.4
119.08602	99.5
120.08930	2.8
128.06248	1.4
129.07037	3.5
130.06531	0.8
131.08586	2.9
132.05748	1.6
132.09381	4.0
145.10143	7.6
147.04446	20.4
147.05540	1.6
147.08078	12.3
147.09175	1.2
147.11713	40.7
151.08636	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.1169
Annotation	Viridiene
Peak:m/z	Relative Intensity
53.03938	1.0
55.01877	1.2
55.05516	12.1
57.03428	2.0
58.87186	0.9
62.01609	0.9
64.92789	1.3
65.03938	4.0
67.05502	6.5
69.03428	3.0
69.07063	2.4
70.66949	2.6
79.05497	9.1
81.07062	5.4
85.02898	1.8
91.05488	75.1
92.05836	1.3
93.07037	4.5
95.05039	1.1
103.05486	5.0
105.07041	87.2
106.07330	2.3
107.08610	2.2
115.05450	2.1
116.06276	1.3
117.07020	8.1
118.07894	1.1
119.04949	26.0
119.08589	100.0
120.08923	2.7
123.96449	1.3
129.06999	2.8
131.08575	1.7
132.05710	1.7
132.09381	2.7
145.10130	7.7
147.04425	14.4
147.08040	10.5
147.11700	46.7
148.12047	2.9
158.80618	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.1169
Annotation	Viridiene
Peak:m/z	Relative Intensity
52.96172	0.8
53.03944	1.6
55.01868	1.1
55.05513	11.9
56.54031	0.9
57.54625	0.7
65.03942	9.3
67.05506	2.1
68.03387	0.8
69.03436	1.5
69.07063	1.9
71.07666	0.9
71.08005	1.8
74.00385	0.8
77.03927	1.1
79.05492	7.5
81.07045	1.4
82.52341	0.8
83.05026	0.9
84.04513	1.9
91.05486	87.5
92.05814	1.4
93.07028	4.4
95.04956	0.9
103.05468	4.2
104.06267	1.8
104.95451	0.8
105.07039	73.9
106.07364	1.2
107.04983	1.0
107.08594	8.6
115.05428	1.9
116.06274	1.6
117.07024	14.2
117.87733	0.8
119.04951	52.7
119.08588	100.0
120.05271	1.0
120.08932	3.0
129.07005	1.8
130.06563	0.9
131.08536	1.5
132.05696	1.2
132.09343	5.9
145.10130	8.1
147.04422	19.8
147.08055	5.2
147.11696	49.5
148.12000	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	143.0341
Annotation	KOJIC ACID
Peak:m/z	Relative Intensity
53.03930	0.4
54.18382	0.3
55.01880	1.8
59.04988	0.3
68.99796	0.3
69.03433	8.9
71.01334	0.4
71.21756	0.5
71.53508	0.2
71.74903	0.3
74.67088	0.3
79.23597	0.3
81.07040	0.4
85.02908	0.4
87.04475	0.3
94.87579	0.3
97.02905	3.6
97.06493	0.5
97.61536	0.3
101.00898	0.9
101.95033	0.9
105.32046	0.3
119.01932	0.8
123.60690	0.3
125.02376	4.3
128.06236	1.4
143.03403	100.0
144.03754	1.7
157.16519	0.3
161.22392	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	143.1069
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.0
53.40581	0.9
55.01880	4.4
55.05518	9.1
57.07080	6.3
59.04988	1.6
65.03950	0.8
67.05508	4.1
69.03437	16.4
69.07064	1.3
70.06593	1.6
71.01357	1.7
71.05001	36.9
71.51896	1.4
72.04535	1.3
73.06561	4.9
79.05490	1.8
81.07053	1.6
83.01343	1.0
83.05006	4.2
83.08634	4.5
84.08166	1.3
85.02890	0.9
85.06554	14.2
91.05469	0.9
96.19617	0.8
97.02905	30.6
97.03530	1.9
97.10187	4.8
98.06058	2.5
98.09704	2.1
101.95045	1.3
107.08595	14.8
115.05454	2.9
125.02365	27.8
125.09639	7.5
126.02668	0.8
128.06238	21.0
139.01845	1.1
141.07083	0.9
143.03409	100.0
143.08580	6.2
143.10619	1.7
144.03795	2.2
145.06482	1.4
155.06038	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	143.1069
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87521	1.7
55.01876	5.4
55.05516	15.9
57.07077	9.7
59.05008	1.9
65.03931	2.1
67.05508	9.9
69.03144	1.6
69.03442	16.4
69.53917	1.6
69.79164	6.5
69.79538	3.4
70.06577	1.5
71.01365	2.3
71.04999	74.5
73.06572	9.0
79.05490	3.7
81.07055	4.2
83.04997	8.6
83.08615	7.1
84.08125	1.7
85.06558	32.2
91.05479	2.5
93.28920	1.7
97.02898	29.3
97.10172	7.3
98.06068	2.5
98.20850	1.9
101.95005	2.8
103.05463	1.7
107.08598	20.4
115.05450	3.5
119.01961	1.8
125.02364	30.9
125.09653	13.2
125.69847	1.4
128.06239	63.8
141.07001	3.1
143.03407	100.0
143.08577	14.4
143.10632	3.4
145.06474	1.9
155.06084	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	143.0191
Annotation	Unknow
Peak:m/z	Relative Intensity
55.00375	0.4
55.68161	0.4
56.96577	3.5
57.03434	1.2
58.06598	0.8
58.99877	2.1
60.95145	2.7
68.05036	0.7
69.03433	0.8
69.04532	0.6
69.75638	1.6
69.76068	1.3
70.98135	0.6
70.99859	7.3
77.00919	2.1
81.04549	33.8
82.01428	0.6
82.99390	0.8
82.99849	7.9
83.06107	1.0
84.08150	1.1
84.52970	0.5
85.01398	0.8
85.02930	0.7
89.00901	3.0
93.01904	0.5
95.01180	0.4
95.06100	17.0
98.09694	3.6
98.97593	2.1
101.00891	68.2
101.97801	1.1
102.00974	2.7
102.05551	0.5
102.96886	0.6
103.02455	1.1
107.06084	0.7
113.00877	0.7
116.98634	0.5
118.01170	0.5
119.01930	100.0
119.98802	3.3
120.01996	5.1
124.02464	0.6
125.02424	0.5
125.06249	0.8
125.07126	11.8
131.01907	1.2
137.02983	11.8
137.04025	1.2
137.99840	1.1
138.03085	0.7
142.03500	1.0
143.01945	3.9
143.03380	2.6
143.08180	6.6
144.04982	0.5
144.10216	5.0
161.02954	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	142.0353
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	2.8
56.96562	8.0
57.03423	1.6
69.03419	1.7
69.60489	3.6
69.60885	5.6
70.99860	5.7
71.01360	2.1
71.95246	1.5
73.02924	1.6
81.04548	6.8
82.99845	8.2
85.02905	3.2
86.72066	1.6
95.06096	4.5
96.08122	7.5
97.02886	3.7
98.06094	1.9
98.97588	6.2
100.02525	1.9
100.97183	7.2
100.98003	3.3
101.00893	71.2
103.02460	1.8
113.00894	3.0
115.38117	1.5
118.03559	1.9
118.98238	2.7
118.99057	1.9
119.01936	100.0
120.02013	2.1
124.02480	3.7
125.02332	3.8
125.07130	4.7
127.15983	1.6
131.01909	4.3
137.02939	11.0
142.03482	14.7
142.08649	7.0
143.01979	3.5
143.03424	6.7
160.04530	1.9
161.02959	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	143.0191
Annotation	Unknow
Peak:m/z	Relative Intensity
55.00375	0.4
55.68161	0.4
56.96577	3.5
57.03434	1.2
58.06598	0.8
58.99877	2.1
60.95145	2.7
68.05036	0.7
69.03433	0.8
69.04532	0.6
69.75638	1.6
69.76068	1.3
70.98135	0.6
70.99859	7.3
77.00919	2.1
81.04549	33.8
82.01428	0.6
82.99390	0.8
82.99849	7.9
83.06107	1.0
84.08150	1.1
84.52970	0.5
85.01398	0.8
85.02930	0.7
89.00901	3.0
93.01904	0.5
95.01180	0.4
95.06100	17.0
98.09694	3.6
98.97593	2.1
101.00891	68.2
101.97801	1.1
102.00974	2.7
102.05551	0.5
102.96886	0.6
103.02455	1.1
107.06084	0.7
113.00877	0.7
116.98634	0.5
118.01170	0.5
119.01930	100.0
119.98802	3.3
120.01996	5.1
124.02464	0.6
125.02424	0.5
125.06249	0.8
125.07126	11.8
131.01907	1.2
137.02983	11.8
137.04025	1.2
137.99840	1.1
138.03085	0.7
142.03500	1.0
143.01945	3.9
143.03380	2.6
143.08180	6.6
144.04982	0.5
144.10216	5.0
161.02954	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	139.1119
Annotation	Nona-2,6-dienal
Peak:m/z	Relative Intensity
53.03947	1.4
54.16901	0.6
55.01881	1.1
55.05515	5.1
56.96575	1.3
57.07079	3.4
59.05024	3.9
65.03944	4.3
67.05511	2.9
69.03436	100.0
69.07083	6.0
70.03775	1.1
70.66099	1.2
70.66460	1.6
74.03174	0.7
79.05493	4.7
81.07046	3.5
83.04981	12.7
91.05486	3.1
93.03419	3.3
93.07053	11.7
94.06537	0.7
95.04969	2.9
95.08622	6.9
97.06546	14.7
98.97575	2.2
98.98483	2.8
103.05454	1.6
105.07049	5.6
109.10144	0.9
111.04446	5.8
111.08080	2.3
112.03983	2.1
116.98638	0.9
119.08615	0.9
121.02895	1.1
121.03984	1.3
121.10163	12.4
122.06022	1.0
123.92965	0.7
139.03905	2.8
139.07565	1.5
139.11198	44.5
140.11504	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	140.0708
Annotation	1,2,3,6-tetradehydro-propylproline
Peak:m/z	Relative Intensity
51.02385	2.4
53.03955	30.1
55.01879	3.9
55.05508	0.8
56.96580	5.5
57.07066	0.9
57.93563	1.4
58.42082	0.8
59.35108	0.8
65.03957	4.5
67.01839	1.1
67.05514	45.2
68.05035	1.8
69.03437	1.2
69.07076	9.1
70.06598	3.7
70.07387	4.6
71.95286	1.9
77.03939	6.5
78.03463	1.1
78.31641	1.0
79.05484	1.6
81.03420	6.9
81.07065	1.3
84.08152	8.3
93.05802	16.4
94.06583	59.3
95.01385	1.2
95.04982	38.8
95.08607	3.0
95.22128	0.8
96.04511	4.0
96.05210	0.8
97.02909	2.6
97.05276	1.0
98.06090	2.3
98.21426	1.0
98.97601	23.8
105.04531	15.0
109.02889	5.2
112.03997	17.3
112.04751	2.0
112.07625	17.7
113.02370	6.7
113.06018	2.8
115.05426	0.9
116.97240	2.9
116.98635	13.3
118.31554	1.0
122.06046	100.0
123.04432	3.3
123.06367	1.7
123.08032	1.0
125.02366	6.3
125.04707	1.1
134.99695	3.4
140.03429	8.0
140.04416	2.5
140.07086	55.8
140.10677	1.0
141.01843	3.6
141.05495	1.0
141.07007	1.4
142.47432	0.8
147.86380	0.8
159.62709	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	142.0352
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23138	1.9
55.01872	2.7
56.96571	14.5
57.03428	5.7
58.57470	1.7
58.96180	2.7
58.99870	2.8
60.95845	2.5
70.10719	5.5
70.11106	4.3
70.99863	4.5
71.01351	11.2
72.08153	2.3
73.02922	3.9
74.89700	1.6
77.00933	1.9
77.26263	1.8
81.04535	3.9
82.99849	10.8
85.02926	10.1
87.95581	2.3
94.99873	2.3
96.08136	13.8
97.02887	4.1
98.97600	5.0
100.00118	2.5
100.02505	2.5
100.97207	7.5
100.98018	5.1
101.00893	72.8
105.02107	1.6
108.02342	3.2
110.97572	2.5
113.00887	15.3
113.02390	3.3
114.01062	2.3
115.02443	2.1
118.98246	3.3
119.01933	100.0
124.02454	2.4
125.02404	2.4
131.01909	24.8
132.02007	3.5
133.03389	2.1
137.02959	13.3
142.03490	14.7
142.08655	3.7
143.01912	5.2
143.03400	4.2
143.69623	2.0
159.01375	3.8
160.04604	3.8
161.02916	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	142.0351
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52957	5.5
52.56458	5.5
53.96091	5.3
56.96579	5.6
67.55859	5.5
70.91087	12.6
84.74830	5.5
88.51732	7.0
99.50257	4.9
100.98007	5.8
101.00893	52.3
103.24936	5.4
107.12197	5.7
115.97048	10.2
119.01933	100.0
124.97605	14.9
127.47841	7.6
128.49498	13.2
133.98114	9.8
136.48366	10.9
137.02986	19.0
137.50026	25.2
142.03516	19.4
145.48907	9.0
149.00792	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	138.0552
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26007	0.2
53.03945	0.6
55.05508	0.5
56.96561	0.3
57.03444	0.3
59.01729	0.2
65.03938	1.1
67.05486	0.9
69.51007	1.4
69.51340	0.2
78.03475	1.0
79.04227	0.3
85.01391	0.3
85.30732	0.2
90.94174	0.2
92.05012	10.0
93.05798	0.6
94.06577	18.8
96.04489	2.8
96.05040	0.3
97.02871	0.2
101.00881	0.3
110.06052	10.6
113.00859	0.2
115.00605	0.2
115.02428	0.6
119.01930	0.4
131.05565	0.2
133.01695	0.3
133.03497	1.1
136.03983	0.4
138.05511	100.0
139.05864	1.4
139.31229	0.2
143.01906	0.7
154.05037	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	139.0391
Annotation	Gentisate aldehyde
Peak:m/z	Relative Intensity
53.00314	13.5
53.03945	1.2
55.01872	3.7
55.05514	2.5
56.96558	1.3
61.48651	0.4
65.03947	19.2
67.01863	1.5
67.05512	3.4
68.99792	4.7
69.03433	2.0
69.07063	1.5
69.48232	3.5
70.95959	0.4
71.01342	0.9
74.21824	0.4
79.05486	1.2
81.03408	0.5
81.07051	0.8
83.04984	5.0
83.06114	0.7
91.05500	1.2
91.45110	0.5
93.03418	6.9
93.07052	3.0
95.04985	2.1
95.08617	1.3
97.02901	2.1
97.06533	1.0
97.31669	0.6
98.97591	3.7
98.98453	1.6
111.04453	14.8
111.08089	1.0
112.03971	1.8
116.97240	0.7
116.98653	2.1
121.02881	11.7
121.06478	0.5
121.10129	0.8
125.02403	0.5
139.03917	100.0
139.07523	1.2
139.11182	1.3
139.12338	1.6
140.04271	1.6
140.07076	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	139.039
Annotation	Sesamol
Peak:m/z	Relative Intensity
53.03951	3.6
55.01875	7.5
55.05516	3.5
59.05005	0.5
61.17141	0.5
65.03943	17.3
67.01864	6.9
67.05507	6.7
68.99444	1.2
68.99792	14.3
69.03436	3.6
71.01358	2.7
71.05048	1.3
79.01873	0.6
81.03418	0.8
83.04980	8.8
85.33681	0.6
93.03412	15.4
93.07044	1.1
95.04950	3.4
97.02920	2.9
97.06550	0.5
98.97557	1.0
99.00816	0.8
111.04446	26.9
113.94877	0.6
121.02868	1.9
121.04026	1.1
139.03905	100.0
139.11206	1.0
140.04277	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	139.1119
Annotation	Nona-2,6-dienal
Peak:m/z	Relative Intensity
53.03951	2.1
55.01869	2.6
55.05516	6.2
56.96560	2.1
57.03442	0.8
57.07080	4.3
59.05013	3.9
64.33205	0.5
65.03949	7.2
67.05517	3.8
68.99786	0.7
69.03436	100.0
69.07085	5.0
69.20882	4.8
70.03773	0.9
71.05000	0.5
79.05499	6.1
81.07047	2.9
83.04987	13.0
85.02872	0.7
86.76250	0.5
90.00021	0.4
91.05484	4.4
93.03408	3.9
93.04516	0.8
93.07055	12.4
94.06599	0.9
95.04980	4.0
95.08611	6.5
96.04549	1.0
96.08918	0.5
97.02919	1.3
97.06535	14.7
97.10209	0.8
98.21487	0.8
98.97598	2.7
98.98483	3.7
103.05453	0.9
105.04585	0.5
105.07040	4.9
106.07864	0.7
110.07302	0.6
111.04442	8.6
111.08096	2.4
112.04016	1.3
112.07595	0.6
116.98642	1.6
119.08588	1.0
120.76035	0.4
121.02892	1.4
121.04003	2.0
121.06516	1.0
121.10155	11.5
122.06014	1.1
122.87638	0.5
123.08015	0.8
133.07689	0.9
134.99701	0.5
139.03941	5.2
139.04951	0.9
139.07524	2.3
139.11192	41.1
140.03452	1.5
140.07085	1.0
140.11546	0.8
143.07306	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.1327
Annotation	ALPHA-PHELLANDRENE
Peak:m/z	Relative Intensity
53.03932	6.7
55.01860	2.2
55.05516	8.9
57.07074	11.1
65.03942	8.0
66.04729	8.5
67.05512	35.3
69.03424	2.5
69.07066	7.9
69.52047	2.4
69.52446	6.7
75.37566	1.3
79.05079	1.9
79.05499	21.7
80.05005	1.7
81.03391	4.5
81.07064	82.4
82.07399	1.5
87.63148	1.5
91.05488	21.4
93.05784	1.5
93.07049	12.2
94.04193	58.7
94.06561	2.7
95.04993	8.3
95.06104	1.4
95.08615	100.0
96.04480	4.1
96.08951	2.3
105.04509	1.6
107.04932	4.5
107.08561	2.3
107.91990	1.4
109.02872	1.9
109.06517	10.2
109.10174	10.5
110.01387	2.0
110.06025	5.2
119.04887	4.1
119.08594	3.3
120.04444	6.4
122.03661	66.9
122.07265	5.4
137.02510	17.0
137.03505	2.7
137.05956	99.2
137.09592	11.3
137.10739	4.6
137.13245	9.4
138.05534	9.1
138.06369	2.4
138.09129	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	138.0552
Annotation	Trigonelline
Peak:m/z	Relative Intensity
51.26007	0.2
53.03945	0.6
55.05508	0.5
56.96561	0.3
57.03444	0.3
59.01729	0.2
65.03938	1.1
67.05486	0.9
69.51007	1.4
69.51340	0.2
78.03475	1.0
79.04227	0.3
85.01391	0.3
85.30732	0.2
90.94174	0.2
92.05012	10.0
93.05798	0.6
94.06577	18.8
96.04489	2.8
96.05040	0.3
97.02871	0.2
101.00881	0.3
110.06052	10.6
113.00859	0.2
115.00605	0.2
115.02428	0.6
119.01930	0.4
131.05565	0.2
133.01695	0.3
133.03497	1.1
136.03983	0.4
138.05511	100.0
139.05864	1.4
139.31229	0.2
143.01906	0.7
154.05037	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0964
Annotation	2-Isopropylphenol
Peak:m/z	Relative Intensity
53.03957	8.4
55.01867	3.8
55.05521	9.4
57.03430	1.8
57.32737	1.2
59.28923	1.3
63.75652	1.4
65.03956	7.7
66.04726	3.7
66.12269	1.1
67.05516	82.6
69.03433	5.3
69.07080	2.6
69.44224	5.8
69.44630	3.4
79.05511	17.0
81.03421	5.2
81.07072	36.6
83.04996	4.2
91.05499	38.6
92.05762	1.4
92.36063	1.3
93.07052	8.5
94.04204	27.1
95.04988	16.4
95.08070	2.2
95.08621	26.0
98.53115	1.4
98.63193	1.3
103.05468	2.5
104.06284	2.0
105.04533	1.7
107.04968	27.3
107.08602	6.8
108.05762	1.9
109.05801	2.8
109.06535	53.1
109.10175	53.0
117.07028	4.8
119.06083	4.0
119.08604	19.4
121.06524	9.0
122.03677	27.4
122.07307	95.1
123.07656	1.9
135.08075	3.4
137.05226	0.9
137.06001	43.7
137.09639	100.0
138.05449	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0962
Annotation	4-Propylphenol
Peak:m/z	Relative Intensity
52.79178	1.3
53.03944	7.1
55.01857	4.2
55.05503	9.6
57.07066	2.2
65.03929	5.0
66.04729	3.6
67.05508	78.4
69.03423	4.7
69.07059	2.8
70.85236	2.0
70.85568	3.2
73.03682	1.3
76.29291	1.6
77.03893	1.9
79.05498	16.3
80.06242	1.5
81.03413	4.4
81.07056	38.3
83.04979	3.5
84.39297	1.4
89.42725	1.5
91.05488	39.2
93.07053	8.6
94.04190	34.0
94.07825	2.2
95.04965	15.0
95.08613	31.4
105.04533	2.5
107.04961	28.3
107.08581	4.6
108.05746	2.8
109.05804	3.4
109.06519	48.2
109.10162	62.7
113.65234	1.5
117.07021	4.1
119.06061	3.5
119.08574	22.4
121.06515	9.0
122.03655	36.9
122.07289	93.8
123.07585	2.2
135.08063	5.6
137.05983	59.1
137.09619	100.0
137.13206	2.1
138.09982	2.3
139.71570	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0962
Annotation	4-Propylphenol
Peak:m/z	Relative Intensity
51.02372	0.8
53.03948	2.7
55.01863	0.7
55.05511	2.4
57.07076	0.7
61.13062	0.6
65.03939	1.9
66.04725	2.0
67.05511	30.2
69.03437	1.4
69.07059	1.7
70.62965	1.7
77.03931	0.8
79.05507	6.4
81.03420	1.1
81.07059	12.2
83.83321	0.5
84.93728	0.6
85.79838	0.6
91.05489	13.1
92.05818	0.6
93.07038	4.3
94.04193	17.1
94.07833	1.7
95.04991	3.0
95.08617	9.4
103.05463	1.7
104.06289	1.2
105.04514	0.7
105.07047	0.8
107.04967	24.0
107.08592	1.6
109.06532	1.8
109.10169	35.3
110.10463	0.9
115.05460	0.6
117.07021	2.2
119.04917	0.6
119.08591	17.4
121.06524	10.4
122.03664	23.0
122.07297	100.0
123.04042	0.6
123.07652	1.5
135.08084	3.5
137.02408	0.8
137.04884	0.9
137.05992	34.3
137.09627	85.2
138.09964	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0962
Annotation	2-Isopropylphenol
Peak:m/z	Relative Intensity
50.05739	0.9
50.51076	0.8
53.03952	5.6
55.01880	9.5
55.05273	1.7
55.05518	25.1
57.07071	1.1
65.03942	6.5
66.04729	5.1
67.05511	100.0
68.05831	2.2
69.03430	19.9
69.07080	5.6
71.40786	2.3
79.05502	20.7
81.03412	2.5
81.06595	2.2
81.07066	43.7
83.04985	1.4
91.05486	19.2
93.07050	16.7
94.04194	35.2
94.07840	2.2
95.04986	13.2
95.08614	36.1
105.04545	1.3
105.07012	1.6
107.04955	4.6
107.08604	6.1
109.06532	9.8
109.10166	30.5
111.08102	6.3
117.07033	1.3
119.04972	1.4
119.08591	6.0
121.06505	2.1
122.03660	42.6
122.07290	10.6
123.07688	1.0
137.02469	1.6
137.05991	62.9
137.09631	48.0
138.05499	3.1
138.06400	1.4
138.09149	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0962
Annotation	4-Propylphenol
Peak:m/z	Relative Intensity
50.81888	0.5
53.03951	3.1
55.01870	1.2
55.05516	2.3
65.03926	1.8
66.04729	2.9
67.05514	29.6
69.03441	1.7
69.07058	2.0
70.53324	0.7
70.53646	1.6
77.03931	1.1
79.05502	6.6
80.10732	0.6
81.03410	1.0
81.07063	12.1
91.05491	14.8
92.05824	0.7
93.07047	4.4
94.04196	25.1
94.07832	1.6
95.04979	2.9
95.08617	11.5
103.05457	1.4
104.06244	1.1
105.04512	1.4
107.04961	24.6
107.08611	1.3
109.06532	2.6
109.10165	32.8
117.07035	1.7
119.08594	15.2
121.06519	8.7
122.03666	28.5
122.07299	100.0
123.03938	0.6
123.07654	1.4
135.08066	4.4
137.02440	1.5
137.05995	50.0
137.09630	85.2
138.05457	1.3
138.06386	1.0
138.09993	1.3
155.17087	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	136.062
Annotation	Adenine
Peak:m/z	Relative Intensity
54.10220	0.2
56.96560	0.8
60.91853	0.2
67.03002	0.5
70.35062	0.4
70.35427	0.7
80.65747	0.2
81.12834	0.2
82.04074	0.3
91.05476	0.6
92.02499	0.8
94.04057	4.2
98.97599	0.4
100.17709	0.2
105.08314	0.2
109.05134	0.7
112.05116	0.2
113.00887	1.8
119.03561	12.9
120.03787	0.2
131.01918	4.2
136.06197	100.0
137.04605	4.6
137.06696	1.1
146.99513	0.2
149.02982	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0599
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
51.02377	0.6
53.03960	2.1
55.01870	1.0
56.96572	0.5
65.03941	2.1
66.04730	6.8
67.05513	2.2
69.03415	0.7
70.04128	0.6
70.04546	1.3
77.03929	1.3
79.05502	5.8
81.03432	1.1
81.07075	3.3
91.04974	0.7
91.05496	7.6
92.05827	0.4
93.03421	0.4
93.07068	1.4
94.04195	52.9
94.06581	0.7
95.04460	0.8
95.04979	1.4
95.08633	1.1
105.03433	1.0
105.04507	0.5
107.04980	2.1
109.06536	2.2
119.04960	0.7
122.03660	68.9
123.03976	1.2
130.41960	0.4
135.04401	1.0
137.02420	1.2
137.05984	100.0
138.05452	3.0
138.06361	1.6
138.09068	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0599
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
50.01643	0.5
51.02406	0.8
53.03950	2.2
55.01910	1.3
60.98204	0.4
61.68826	0.4
65.03943	2.8
66.04727	8.9
67.05199	0.6
67.05549	2.0
69.03464	1.0
70.89682	1.1
77.03957	1.0
79.05494	5.5
81.03448	0.8
81.07060	3.8
81.96874	0.5
84.83044	0.5
91.05492	5.2
93.07070	1.1
94.04193	55.7
95.04468	0.7
95.04994	2.3
95.08636	1.6
96.04503	0.6
96.55838	0.5
105.03432	0.8
105.04522	0.8
107.04981	2.1
109.06563	1.6
110.06087	0.9
115.87010	0.4
119.08575	0.6
120.04520	0.8
122.03658	74.0
123.04029	1.7
137.02562	2.5
137.05969	100.0
137.09586	1.7
138.05466	1.3
138.06314	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0599
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
51.02385	0.6
53.03963	1.5
62.30717	0.5
65.03950	2.3
66.04734	8.2
70.75791	1.0
70.76137	1.3
77.03927	1.1
79.05508	4.5
81.07063	1.5
82.63963	0.6
85.41611	0.6
91.05501	4.6
92.98123	0.6
94.04202	58.6
95.05026	0.9
105.03430	0.6
105.04530	0.8
107.04962	1.8
110.34811	0.6
122.03667	78.6
123.04027	1.6
135.04419	1.5
137.06000	100.0
138.06332	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0599
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
51.02393	0.8
53.03960	1.8
55.01880	0.8
64.37132	0.3
65.03939	2.4
65.21420	0.4
66.04729	6.6
67.05500	1.9
68.84179	0.3
70.65228	0.8
77.03936	1.1
79.05500	4.5
81.03443	0.7
81.07067	3.1
85.11861	0.3
91.05495	5.3
93.07079	0.9
94.04196	48.8
95.04470	0.5
95.04987	1.6
95.08611	0.8
105.03391	1.1
105.04537	0.4
107.04987	2.0
109.06535	1.5
109.10152	0.5
119.04979	0.4
122.03663	61.7
123.03966	0.8
135.04407	0.7
137.05991	100.0
137.09607	1.2
138.05435	0.6
138.06323	1.6
157.30963	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0964
Annotation	2-Isopropylphenol
Peak:m/z	Relative Intensity
51.02010	0.5
51.02367	0.7
51.22038	0.5
53.03955	4.2
55.01879	1.5
55.05318	0.6
55.05519	6.1
57.07080	6.0
65.03943	4.2
66.04726	5.6
66.84148	0.5
67.05513	39.4
69.03432	3.0
69.07071	4.5
71.24639	1.4
72.02702	0.6
77.03916	0.9
79.05506	11.0
80.06264	0.6
81.03403	1.8
81.07068	33.5
82.07377	0.8
83.04961	0.8
91.05492	16.2
92.05812	0.6
93.07058	8.2
94.04197	52.5
94.07338	0.6
95.03146	0.5
95.04466	0.8
95.04987	6.9
95.08617	46.9
96.04529	1.0
103.05480	0.8
105.03297	0.9
105.04513	1.3
105.07043	0.7
106.54581	0.5
107.04977	11.1
107.08614	2.5
108.05769	1.3
108.09367	0.7
109.05803	1.2
109.06532	21.1
109.10171	27.2
117.07037	1.9
119.04998	0.6
119.06084	1.6
119.08607	7.8
120.04537	0.9
121.06525	5.1
122.03664	69.1
122.07299	37.5
123.04010	1.1
135.08047	1.2
137.02434	2.0
137.05992	100.0
137.09627	40.8
137.10718	1.3
137.13248	4.6
138.05515	2.3
138.06400	1.4
138.10098	0.6
156.90462	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1169
Annotation	o-Cymol
Peak:m/z	Relative Intensity
51.02384	1.3
53.03951	8.6
55.01868	2.4
55.05518	14.5
65.03944	2.2
67.05185	1.9
67.05512	30.2
69.07079	7.3
69.25524	12.0
73.14124	1.1
75.60780	1.3
77.03910	2.1
79.05499	74.5
80.05830	1.4
81.03430	1.4
81.07063	32.1
91.04926	1.7
91.05488	37.9
93.07051	100.0
94.07364	2.1
94.07885	1.6
95.04981	6.8
100.64288	1.3
105.04513	3.9
105.07033	10.1
107.04951	5.6
107.08603	59.8
108.08936	1.4
109.01125	1.8
109.06490	1.9
111.29382	1.4
115.05434	2.9
117.06975	1.4
119.03587	3.7
119.06054	2.2
119.08589	2.8
133.10147	2.3
135.04413	6.0
135.05539	3.5
135.06499	1.5
135.08105	10.9
135.11705	55.7
136.02177	23.9
136.03899	1.6
136.05156	2.5
136.06201	39.2
136.07562	3.9
136.12093	2.2
137.04601	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	135.1171
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03956	5.9
55.01880	1.5
55.05519	9.9
55.58754	0.7
57.07087	1.3
58.51246	0.7
59.53371	0.7
65.03942	2.6
67.05506	5.1
69.07072	4.3
70.40634	1.6
74.46866	0.7
77.03941	1.5
79.05503	27.8
81.07065	6.3
84.10822	0.9
91.05494	46.0
93.07057	58.8
94.07858	1.4
95.04980	4.9
103.05466	0.8
105.04523	2.9
105.07043	19.4
107.04987	3.0
107.08607	100.0
108.08945	2.3
108.16043	0.8
109.06535	5.2
115.05470	2.0
117.07044	2.8
119.03589	0.7
119.06088	5.3
119.08588	8.8
120.09369	3.2
133.10191	0.9
135.04437	4.1
135.08078	11.5
135.11703	21.1
136.02168	1.8
136.06210	2.1
136.12086	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.117
Annotation	o-Cymol
Peak:m/z	Relative Intensity
51.02369	1.2
53.03941	6.9
55.01880	1.8
55.05510	6.7
56.53815	0.9
65.03937	2.6
67.02970	0.9
67.05180	1.6
67.05506	18.2
69.03419	1.1
69.07062	3.4
69.25002	8.5
77.03886	1.0
79.05499	44.5
80.05020	1.8
80.05846	1.0
81.03423	1.1
81.07064	16.0
91.05486	26.1
91.68931	1.0
92.02538	1.3
93.07047	62.4
94.04060	3.5
94.07375	1.1
95.04945	5.8
105.04508	2.9
105.07043	6.8
107.04961	5.5
107.08602	34.4
108.08914	1.3
109.01123	2.1
109.06551	1.7
112.03967	1.2
115.05462	1.6
117.07027	2.0
118.06566	1.1
119.03552	12.1
119.06120	1.2
119.08589	2.4
135.04424	5.8
135.05524	3.0
135.06459	1.4
135.08067	9.3
135.09149	2.1
135.10699	1.9
135.11700	31.7
136.02174	23.5
136.03958	2.4
136.06195	100.0
136.07539	6.3
136.11185	1.1
137.04579	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	133.1013
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21928	0.6
52.41265	0.5
53.03939	1.6
55.05511	3.5
65.03947	1.5
67.05493	0.9
71.07095	1.0
77.03925	1.5
77.69727	0.5
79.05496	8.1
79.33208	0.6
91.05489	26.9
92.06310	0.7
93.07049	6.5
95.04964	1.2
103.05478	5.8
105.07038	71.4
107.08626	1.3
115.05453	8.3
116.06255	1.8
117.07038	10.6
118.07809	11.2
129.07005	0.8
131.08588	9.8
133.06514	3.0
133.10139	100.0
134.10455	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1014
Annotation	Tetralin
Peak:m/z	Relative Intensity
53.03947	1.8
53.63278	0.4
53.94511	0.4
55.01860	0.6
55.05517	5.1
55.09373	0.4
65.03954	0.5
66.54755	0.4
67.05498	1.2
69.17495	4.6
71.28265	0.4
77.03915	0.9
77.33640	0.5
79.05500	10.0
79.30591	0.4
89.46149	0.5
91.05486	32.3
92.05778	0.6
92.06288	0.6
93.07052	6.6
95.04971	1.0
101.04589	0.4
103.05477	5.0
105.07037	100.0
106.07370	1.4
107.08607	1.1
115.05466	6.7
116.06280	0.9
117.07030	7.3
118.07815	8.1
128.90469	0.4
129.07025	0.7
130.59212	0.4
131.08582	12.2
133.06555	0.9
133.10139	56.5
134.10481	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	134.0451
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.0
55.01865	3.8
56.96300	5.9
56.96570	100.0
57.03444	15.7
69.03426	6.1
69.77304	19.5
70.99861	4.1
72.52980	4.1
73.02917	8.0
77.00880	3.2
77.52200	4.1
78.52960	4.3
79.05482	6.6
79.51158	5.0
81.03429	5.7
82.01444	9.7
82.99845	4.0
85.02938	3.2
85.53725	4.1
86.19302	3.1
86.52695	22.8
87.02714	4.1
88.02683	7.0
88.51679	4.1
91.05503	6.0
93.07057	4.3
93.53477	5.7
95.04992	3.4
95.53212	6.9
97.01398	4.1
98.97601	16.2
100.02521	19.8
101.00869	18.5
102.02342	7.6
106.06569	6.9
106.07371	5.3
107.04981	7.3
110.54513	3.6
110.96812	6.5
111.02913	8.9
115.02468	3.8
116.98614	6.1
118.03500	9.7
119.01943	31.7
119.97333	36.7
121.01691	5.2
124.02428	4.2
125.99236	4.2
128.49477	7.0
128.97856	53.5
129.03957	8.1
131.01939	14.3
133.03436	4.2
134.03687	6.3
134.05058	4.4
134.06024	21.0
134.06964	4.6
134.09630	7.3
135.04430	6.3
137.50029	11.7
137.98398	17.4
138.49883	4.1
142.03502	24.7
143.01923	5.0
147.05064	6.5
154.03465	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	135.117
Annotation	o-Cymol
Peak:m/z	Relative Intensity
51.02364	1.9
53.03952	12.5
55.01864	4.2
55.05519	12.5
56.79537	1.6
59.20739	1.4
65.03931	4.8
65.88579	1.5
67.05508	22.9
69.07072	8.3
71.40659	3.6
79.05497	78.8
80.05797	2.3
81.03397	1.9
81.07060	28.1
89.03908	1.9
89.47924	1.6
91.04909	2.5
91.05489	66.9
93.07051	100.0
94.04086	1.9
95.04984	13.1
98.05036	1.6
105.04511	7.2
105.07030	23.1
107.04973	13.8
107.08600	98.1
109.01081	3.0
109.06499	4.9
115.05461	5.3
117.07002	4.3
119.03561	6.0
119.06038	6.5
119.08602	12.1
120.09364	3.7
133.10114	2.8
135.04408	13.7
135.05466	3.6
135.08083	33.2
135.09082	2.9
135.10701	3.2
135.11697	52.4
136.02179	46.5
136.03850	2.9
136.06200	58.2
136.07506	6.1
137.04588	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	135.117
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03952	7.1
53.26342	0.7
54.38395	0.8
55.01870	1.7
55.05514	9.6
57.07082	1.5
62.95429	0.6
65.03947	4.7
67.05518	2.8
67.83582	0.7
69.07080	2.3
69.74122	2.1
69.74533	2.3
72.32711	0.7
77.03941	2.8
79.05500	29.7
81.07067	3.1
91.05487	73.5
92.05791	1.3
93.07050	48.0
94.07861	0.9
95.04974	7.9
95.08625	1.8
103.05492	1.4
105.04541	3.3
105.07040	35.2
106.04176	1.5
106.07850	1.7
107.04957	9.2
107.08601	100.0
108.08929	1.5
109.06516	7.8
109.70406	0.8
115.05458	3.4
117.07011	4.9
119.06071	6.4
119.08587	21.8
120.09394	7.1
133.10147	2.5
135.04446	2.1
135.08075	10.7
135.10699	1.6
135.11697	25.6
136.02164	1.9
136.06209	1.7
147.09087	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1014
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
53.03940	2.3
55.05514	2.3
62.91699	0.3
65.03947	0.6
67.05507	0.9
68.74779	0.2
69.53593	1.7
76.33983	0.2
77.03933	0.7
79.05502	9.3
80.05824	0.3
91.05489	23.5
92.06306	0.4
93.07047	6.5
95.04964	1.7
98.20707	0.3
101.42498	0.3
103.05479	5.1
104.06279	0.5
105.04527	0.9
105.07037	62.2
106.07348	1.3
107.08605	1.2
114.93105	0.3
115.05466	8.9
116.06245	2.0
117.07030	10.0
118.07817	9.8
129.07022	0.7
131.08580	7.7
131.90921	0.3
133.02925	0.4
133.06689	1.2
133.10139	100.0
134.10478	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1014
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02390	1.0
53.03944	2.1
53.91592	0.4
55.05516	2.5
59.59353	0.4
59.59759	0.4
61.17611	0.4
67.05504	1.1
70.54710	0.6
70.55027	1.1
75.62457	0.4
79.05505	8.2
91.05497	23.3
92.05792	0.5
93.07069	6.1
95.04996	1.2
102.01823	0.4
103.05506	3.9
103.88798	0.4
105.07047	61.6
106.07372	1.2
107.08611	1.3
115.05473	7.2
116.06254	1.3
117.07037	10.1
118.07819	9.3
127.83537	0.4
129.07050	0.6
131.02583	0.4
131.08594	8.2
132.68443	0.4
133.02835	0.5
133.06500	1.5
133.10150	100.0
134.10457	2.7
137.39934	0.4
150.47685	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.065
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77525	0.5
53.03945	2.6
53.24907	0.5
55.01870	2.2
55.05504	2.4
58.74154	0.5
65.03929	0.7
66.04723	0.8
67.05513	0.9
68.09155	0.6
69.57362	1.4
69.57775	3.0
77.03933	1.4
77.27673	0.6
79.05502	17.4
81.03411	0.6
89.03934	0.6
90.04707	2.4
91.05488	18.2
93.07050	4.2
95.04963	2.8
103.05475	12.1
105.03413	1.3
105.07039	100.0
106.07333	1.3
107.04967	1.2
111.92445	0.6
115.05466	6.7
117.07023	4.5
118.04174	7.3
118.07811	4.6
129.06996	0.9
131.04945	1.3
131.08568	4.8
133.06502	59.3
133.10138	44.0
134.06868	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1014
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.1
54.10135	0.5
55.01881	0.8
55.05510	3.9
65.03943	1.3
67.05500	1.5
70.28838	0.6
70.80632	1.5
71.07248	0.5
77.03922	1.2
79.05500	12.4
90.04696	0.8
91.05489	34.7
93.07053	7.4
95.04992	2.5
103.05493	7.2
105.07039	100.0
106.07380	1.8
107.08616	1.4
115.05470	10.4
116.06256	1.5
117.07028	10.3
118.04176	2.3
118.07811	9.7
129.06970	0.8
131.04861	0.5
131.08585	11.7
133.02850	1.6
133.06509	12.4
133.10143	93.0
134.10472	2.0
150.30318	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1014
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	3.3
55.05516	5.2
65.03960	0.7
67.05522	1.3
69.40403	5.8
77.03932	1.7
79.05496	12.4
91.05489	37.5
93.07056	6.7
95.04977	1.9
98.21495	1.3
103.05487	6.6
105.03401	0.8
105.07040	100.0
106.07354	1.3
107.08583	1.3
115.05464	10.6
116.06232	0.7
116.20712	0.7
117.07033	12.0
118.04160	1.0
118.07823	10.6
118.97320	0.7
119.91149	0.7
129.06995	1.1
131.08566	12.5
133.06534	4.2
133.10143	94.0
134.10492	2.7
142.95520	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0493
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02384	0.8
53.03952	5.0
69.43067	1.5
71.14951	0.3
71.73991	0.2
77.03941	1.7
80.53403	0.2
81.03433	0.6
81.27032	0.2
85.08475	0.3
91.05490	2.4
95.04978	4.8
101.65151	0.2
102.04707	1.6
103.05477	100.0
104.05798	1.6
105.04522	2.6
108.59484	0.2
113.07967	0.2
116.06255	0.5
129.06953	0.3
131.04938	12.4
131.08568	1.6
132.05318	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0856
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	0.5
51.41848	0.5
53.03944	2.0
54.21175	0.4
57.03463	0.6
65.03940	0.8
69.03432	0.6
72.08167	0.6
77.03915	0.5
83.06799	0.5
84.08160	1.0
85.02890	0.5
85.04848	1.8
85.08473	4.9
86.09708	1.1
91.05486	100.0
92.05830	1.6
95.04952	1.1
98.21557	1.6
100.78854	0.5
102.04668	0.6
103.05474	28.4
104.05827	0.5
105.04533	0.5
113.07959	1.6
115.05469	6.7
116.06253	24.1
128.06236	1.6
129.07022	14.0
131.02298	0.8
131.04933	4.4
131.08572	76.0
132.08058	0.8
132.08931	2.0
143.06024	0.8
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
53.03963	3.6
54.10367	0.5
56.96573	0.6
57.03437	1.4
65.03943	1.3
69.03464	0.6
70.12782	1.4
70.13184	1.0
72.46237	0.6
72.64184	0.5
75.90599	0.6
79.64241	0.5
79.96876	0.6
84.04504	1.9
84.08150	2.3
85.02895	0.6
85.04398	0.7
85.04838	4.3
85.07940	0.8
85.08475	9.9
86.09702	1.1
91.05485	100.0
92.05805	2.0
95.04978	1.7
98.21539	1.0
103.05473	42.3
105.04518	0.7
105.07045	1.0
113.02338	0.8
113.07927	3.0
115.05463	7.0
116.06250	23.7
116.98623	0.8
128.06213	2.3
129.07013	13.9
131.02338	0.6
131.04942	6.6
131.06927	1.9
131.08569	75.9
132.08037	0.6
132.08919	1.6
143.06062	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0857
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	0.6
51.87776	0.5
53.03946	3.4
56.96564	0.6
57.03442	0.6
65.03951	1.2
69.03422	0.6
71.06939	0.5
72.08160	0.6
77.03919	0.7
84.04507	1.1
84.08157	1.3
85.02914	1.0
85.04836	3.4
85.08484	7.6
86.09730	0.7
91.05488	100.0
92.05830	1.7
94.03150	0.5
95.04982	2.4
98.21526	1.4
103.05476	40.6
104.05795	0.8
105.04539	1.4
105.07039	0.8
113.07932	1.4
115.05456	7.1
116.06258	20.3
128.06224	2.0
129.07013	14.5
131.02304	1.7
131.04929	6.2
131.08574	75.5
131.16226	0.6
131.19243	0.4
132.08054	0.9
132.08928	1.9
133.06474	0.9
143.06079	0.6
143.95998	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.065
Annotation	2-Indanone
Peak:m/z	Relative Intensity
50.77525	0.5
53.03945	2.6
53.24907	0.5
55.01870	2.2
55.05504	2.4
58.74154	0.5
65.03929	0.7
66.04723	0.8
67.05513	0.9
68.09155	0.6
69.57362	1.4
69.57775	3.0
77.03933	1.4
77.27673	0.6
79.05502	17.4
81.03411	0.6
89.03934	0.6
90.04707	2.4
91.05488	18.2
93.07050	4.2
95.04963	2.8
103.05475	12.1
105.03413	1.3
105.07039	100.0
106.07333	1.3
107.04967	1.2
111.92445	0.6
115.05466	6.7
117.07023	4.5
118.04174	7.3
118.07811	4.6
129.06996	0.9
131.04945	1.3
131.08568	4.8
133.06502	59.3
133.10138	44.0
134.06868	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0649
Annotation	2-Indanone
Peak:m/z	Relative Intensity
53.03946	2.4
55.01873	2.0
55.05516	2.4
59.22947	0.4
65.03926	0.6
66.04710	0.9
67.05505	1.0
69.61013	2.7
75.98320	0.4
77.03912	0.9
79.05494	12.1
81.03404	0.4
89.03910	0.6
90.04700	1.5
91.05484	17.5
92.05777	0.6
93.07046	4.2
95.04981	2.3
98.21552	0.4
103.05475	9.8
105.07034	100.0
106.07364	1.4
107.04959	0.7
107.08579	0.5
115.05449	4.8
116.06249	0.8
117.07017	3.1
118.04172	5.5
118.07847	2.8
127.84381	0.4
131.04910	0.5
131.08583	5.3
133.02844	0.7
133.06497	37.7
133.10135	28.1
134.06825	0.7
134.10422	0.4
147.16431	0.5
148.73033	0.3
149.34012	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	125.0964
Annotation	2E,4Z-Octadienal
Peak:m/z	Relative Intensity
53.03937	4.9
54.87688	1.0
55.01875	8.0
55.05515	34.4
56.77183	1.0
57.03429	5.0
57.07073	2.5
59.31038	1.0
65.03949	12.2
67.05506	7.8
67.72369	1.0
68.51373	1.1
68.99788	1.3
69.03438	26.6
69.07080	11.5
69.69422	2.2
69.69828	4.4
71.01358	7.2
71.04988	1.6
79.05502	40.5
80.05007	1.7
81.03410	2.1
81.07065	21.8
82.07363	1.9
83.04989	37.0
83.08622	3.0
85.02898	1.2
91.05486	24.8
93.03397	4.5
95.04967	4.5
95.08648	2.4
96.05784	2.1
97.02903	47.5
97.03533	2.3
97.04835	1.8
97.06546	18.2
97.10172	3.2
98.06043	1.1
98.20814	1.4
102.02232	3.0
105.04488	1.5
105.07047	11.6
107.04945	2.3
107.08603	60.5
108.04507	2.7
109.06530	3.7
110.03696	2.4
110.07314	2.2
111.04462	3.8
119.06094	3.8
120.02013	2.6
120.95351	1.5
124.61765	1.1
125.02369	11.6
125.04300	4.6
125.06015	27.4
125.09641	100.0
126.05505	2.1
126.06338	1.4
126.09158	2.7
126.10011	2.2
127.33103	1.3
139.20319	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	127.0392
Annotation	4-HYDROXY-6-METHYLPYRAN-2-ONE
Peak:m/z	Relative Intensity
53.03951	2.9
55.01866	1.1
55.05514	0.4
56.79853	0.2
57.03402	0.3
70.42946	0.8
71.04971	0.2
79.05508	0.3
81.03425	2.5
85.06553	0.3
109.02882	5.8
127.03922	100.0
128.04250	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	130.0653
Annotation	Isoquinoline
Peak:m/z	Relative Intensity
53.03943	2.2
54.80871	0.3
55.01866	0.6
55.05503	0.3
55.28467	0.2
56.05035	2.5
57.03437	0.7
57.07066	1.2
58.03775	0.3
67.05505	0.3
69.03430	10.8
69.07063	1.3
69.19999	0.7
69.20421	2.2
70.02943	0.8
70.06602	1.3
71.04968	0.6
74.06083	2.8
74.09710	0.4
77.03925	0.5
79.95401	0.3
82.06580	0.8
84.04509	25.3
84.08146	28.4
84.90139	0.3
85.02902	0.6
85.08475	0.3
88.03997	1.4
91.04967	0.5
91.05492	5.1
94.06574	0.3
95.04977	2.0
102.04691	0.7
102.05519	0.3
103.05471	27.3
105.04530	1.6
112.07609	24.3
113.02347	0.3
113.07962	0.3
115.05468	1.5
116.06260	1.7
128.04971	2.2
128.06331	0.3
129.07085	2.3
130.02190	2.0
130.06531	100.0
130.08574	8.3
130.12263	1.5
130.15892	0.6
131.04932	2.3
131.05779	0.3
131.06047	0.2
131.06891	2.0
131.08537	3.8
146.06012	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0494
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01602	0.2
51.02388	0.4
51.79457	0.2
53.03712	0.4
53.03954	5.9
55.01884	0.3
55.28899	0.2
60.91620	0.2
69.03458	0.3
69.19681	1.7
70.03766	0.3
72.08142	0.3
77.03940	1.6
81.03422	0.5
85.08492	0.6
86.09693	0.2
91.05494	6.8
95.04984	5.0
98.50472	0.2
102.04706	1.5
103.05482	100.0
104.05817	1.9
105.04521	2.8
113.07958	0.5
115.05466	0.7
116.06264	2.0
129.06996	0.8
131.04950	13.8
131.08574	4.8
132.05313	0.2
140.91252	0.2
149.35342	0.2
149.42421	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0493
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01596	0.3
51.02382	0.7
53.03709	0.3
53.03953	5.1
55.01868	0.3
70.27280	0.4
77.03940	2.0
81.03432	0.4
91.05488	1.7
95.04973	5.0
102.04700	1.4
103.05474	100.0
104.05810	1.8
105.04522	2.4
105.11816	0.2
115.05481	0.3
116.06268	0.7
129.06966	0.2
130.07536	0.2
131.04935	12.5
131.08534	1.5
132.05234	0.3
137.99338	0.2
140.46864	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	124.0397
Annotation	Nitrobenzene
Peak:m/z	Relative Intensity
51.02377	0.3
53.03947	1.6
55.01879	0.4
55.05499	0.9
56.05033	0.3
56.96582	1.2
65.03940	0.4
67.05508	0.6
68.05035	1.8
69.03413	0.3
69.07060	0.4
70.42265	0.7
71.01373	0.2
76.16654	0.2
78.03462	6.5
79.05499	7.5
80.05024	24.7
81.05425	0.5
81.05805	9.2
81.07060	2.1
82.02921	0.4
82.06586	0.3
82.07368	0.3
82.99844	1.7
83.01514	0.4
84.02477	0.2
86.52740	0.2
94.06570	1.1
95.04960	0.7
95.07362	0.2
96.04504	15.7
96.08140	7.8
96.08586	0.1
96.08773	0.3
97.02913	1.5
97.06528	0.2
100.02501	0.3
101.00891	18.2
101.02589	0.7
102.00980	0.5
104.61773	0.2
106.02885	0.3
106.06507	0.9
109.05275	1.2
109.10567	0.2
112.03976	1.3
119.01932	42.0
120.02024	1.0
122.02422	0.6
124.03964	100.0
124.07591	12.0
125.02370	0.5
125.04271	1.0
125.05995	0.2
127.43232	0.2
131.02011	0.2
137.02971	8.9
138.03088	0.5
140.03452	1.4
142.03525	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	124.076
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	0.3
53.03946	2.5
55.01857	0.3
55.05510	1.9
55.51028	0.3
56.05029	0.3
56.96574	1.6
58.94464	0.3
65.03945	0.4
67.05505	0.5
68.05025	2.5
69.03419	0.5
69.07056	0.8
69.83669	1.4
71.01351	0.3
76.20582	0.3
78.03040	0.4
78.03463	6.8
79.05498	13.7
80.05022	26.2
81.03435	0.5
81.05418	0.8
81.05802	16.1
81.07058	3.6
82.02940	0.5
82.06578	0.9
82.99851	2.1
83.01540	0.6
89.92406	0.3
94.02909	0.4
94.06566	2.1
95.04974	1.1
96.04499	16.8
96.08138	12.9
96.08774	0.5
97.02892	1.5
97.06512	0.4
100.02481	0.7
101.00887	19.0
101.02612	0.9
102.00967	0.8
105.04547	0.3
106.02903	0.6
106.06564	1.4
109.05275	2.9
112.03962	1.7
119.01928	49.8
120.02022	1.1
122.02366	0.4
122.06068	0.4
124.03960	100.0
124.07589	21.4
125.02338	0.6
125.04305	1.2
125.07954	0.4
137.02971	9.1
138.03152	0.3
140.03430	1.5
142.03502	2.2
143.61224	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	124.0247
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04088	0.7
55.01863	1.2
55.05500	0.6
56.32828	0.6
57.03438	5.8
58.99860	2.3
60.01391	1.7
61.02928	0.8
66.01376	1.4
67.02177	1.5
67.52495	0.6
69.01916	3.0
69.03424	3.2
69.76660	1.4
69.77076	2.9
70.99852	2.3
71.40506	0.6
71.52184	1.3
72.52969	1.2
75.01923	3.5
75.04485	1.5
77.00913	0.9
77.52177	1.2
78.52965	2.0
79.02155	0.8
80.02959	4.2
80.52684	1.6
81.01919	1.2
81.02808	1.1
82.01431	3.8
82.99848	8.2
83.01530	2.1
83.05010	1.2
83.05889	0.8
84.01151	0.8
84.02441	2.2
84.52508	0.7
85.02180	2.3
85.53712	1.0
86.52714	5.2
87.02737	0.7
88.02673	4.6
89.00919	1.3
90.37608	0.6
91.53738	1.9
91.90250	0.6
92.52699	1.0
94.02132	0.9
94.02686	9.2
94.52801	0.8
95.02518	1.1
95.53230	0.8
98.21447	0.9
100.02487	7.0
101.00889	58.2
101.02557	4.3
102.00964	2.7
102.02271	1.9
103.00644	1.6
103.03207	6.0
103.53282	1.3
104.03055	0.8
106.03550	0.6
112.03721	6.7
112.53793	1.3
113.00887	2.8
115.02435	3.2
118.03548	0.9
119.01929	100.0
120.02015	4.0
121.01686	2.1
121.04251	3.9
121.54254	0.7
122.04081	0.9
124.02460	2.7
127.02389	0.8
131.01910	4.1
133.03506	2.9
137.02957	14.0
142.03499	8.4
143.01923	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	124.0247
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96555	1.0
57.03438	1.0
58.99862	0.6
60.01395	0.4
69.03436	0.4
69.86406	1.3
70.99857	1.0
72.52946	0.4
75.01931	0.5
77.00919	0.3
78.52969	0.4
80.02950	0.7
80.53014	0.3
81.01904	0.4
81.03430	0.3
82.01448	1.3
82.99850	6.3
83.01496	1.5
83.04948	0.4
84.01208	0.3
84.02416	0.5
85.02219	0.3
86.52710	0.4
89.00881	0.5
89.03490	0.3
94.02693	1.4
95.53197	0.3
97.02906	1.0
97.87127	0.2
98.20781	0.4
98.97598	0.4
100.02494	2.4
101.00891	56.5
101.02563	2.1
102.00955	1.6
102.02231	0.6
103.00638	0.3
103.02558	0.3
103.03215	1.0
111.00455	0.5
112.03751	1.3
112.53843	0.3
113.00849	0.4
114.54031	0.3
115.02464	0.8
118.03485	0.3
119.01930	100.0
120.02020	2.2
121.02374	0.4
124.02467	1.2
124.03975	0.7
124.07590	0.3
125.02410	0.3
131.01910	0.7
132.02005	0.2
133.03461	0.7
137.02962	14.9
138.03102	0.4
142.03500	5.2
143.01968	0.2
143.03618	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.1171
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02412	0.5
53.03949	3.9
55.01876	0.8
55.05518	6.5
57.07080	4.3
65.03947	2.0
65.07824	0.4
67.05510	26.2
69.07078	2.8
69.40977	2.1
69.41398	1.4
75.47870	0.4
77.03938	0.9
77.77061	0.4
78.03472	0.5
79.05502	20.5
80.05023	7.0
80.06281	1.1
81.03436	1.1
81.07062	100.0
82.01461	1.8
82.07401	1.0
91.05479	1.2
93.07060	4.6
94.07829	1.1
95.04983	8.2
95.08616	29.9
96.04504	2.6
100.02483	4.5
103.05453	1.1
105.03389	0.9
105.04526	1.0
105.07037	5.4
107.04965	3.5
108.05750	20.9
108.09384	0.9
118.03529	0.8
119.01962	0.9
121.06537	3.1
121.10154	1.0
123.04464	3.7
123.05563	12.8
123.08078	37.2
123.11718	20.8
124.03958	3.0
124.08412	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	124.0247
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99897	0.2
60.00645	0.1
62.64647	0.1
70.69958	0.1
70.70292	0.3
70.99851	0.1
71.49951	0.1
80.05000	0.2
82.01466	0.6
82.99847	7.3
83.01518	0.8
83.99875	0.1
84.01194	0.3
96.04494	0.4
100.02510	0.9
101.00889	57.3
101.02554	1.5
102.00958	1.4
102.02226	0.3
111.00445	0.5
112.03937	0.2
118.03567	0.3
119.01929	100.0
120.02008	2.5
120.03271	0.2
121.02358	0.4
124.02480	0.9
124.03966	1.1
132.00275	0.1
137.02965	15.4
138.03093	0.4
142.03500	5.5
144.84210	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	124.0247
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04088	0.7
55.01863	1.2
55.05500	0.6
56.32828	0.6
57.03438	5.8
58.99860	2.3
60.01391	1.7
61.02928	0.8
66.01376	1.4
67.02177	1.5
67.52495	0.6
69.01916	3.0
69.03424	3.2
69.76660	1.4
69.77076	2.9
70.99852	2.3
71.40506	0.6
71.52184	1.3
72.52969	1.2
75.01923	3.5
75.04485	1.5
77.00913	0.9
77.52177	1.2
78.52965	2.0
79.02155	0.8
80.02959	4.2
80.52684	1.6
81.01919	1.2
81.02808	1.1
82.01431	3.8
82.99848	8.2
83.01530	2.1
83.05010	1.2
83.05889	0.8
84.01151	0.8
84.02441	2.2
84.52508	0.7
85.02180	2.3
85.53712	1.0
86.52714	5.2
87.02737	0.7
88.02673	4.6
89.00919	1.3
90.37608	0.6
91.53738	1.9
91.90250	0.6
92.52699	1.0
94.02132	0.9
94.02686	9.2
94.52801	0.8
95.02518	1.1
95.53230	0.8
98.21447	0.9
100.02487	7.0
101.00889	58.2
101.02557	4.3
102.00964	2.7
102.02271	1.9
103.00644	1.6
103.03207	6.0
103.53282	1.3
104.03055	0.8
106.03550	0.6
112.03721	6.7
112.53793	1.3
113.00887	2.8
115.02435	3.2
118.03548	0.9
119.01929	100.0
120.02015	4.0
121.01686	2.1
121.04251	3.9
121.54254	0.7
122.04081	0.9
124.02460	2.7
127.02389	0.8
131.01910	4.1
133.03506	2.9
137.02957	14.0
142.03499	8.4
143.01923	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0807
Annotation	4-Ethylphenol
Peak:m/z	Relative Intensity
51.02370	1.1
53.03954	5.8
55.01881	1.4
55.05272	1.2
55.05515	19.1
57.07062	1.1
63.55540	0.8
64.93173	0.8
65.03928	3.7
67.05507	83.3
68.05834	1.1
69.24522	8.4
77.03912	1.0
79.05493	14.2
80.05025	12.9
80.06270	2.1
81.03419	6.7
81.07057	44.1
82.01447	2.5
82.07352	1.2
84.78599	0.9
91.05474	6.3
93.07051	17.9
95.04973	49.6
95.08613	54.5
95.11301	0.9
96.04527	5.7
96.05097	1.0
96.05296	1.0
96.08923	1.3
100.02477	6.5
103.05470	1.6
105.04523	1.8
105.07019	5.3
107.04967	1.2
108.05731	7.6
118.03539	1.1
123.04462	5.2
123.05558	26.2
123.08073	100.0
123.11681	8.8
124.03938	7.4
124.08437	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.1172
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02390	0.5
51.06117	0.5
53.03957	5.6
55.01884	2.3
55.05518	13.5
57.07088	5.2
59.49495	0.5
62.51492	0.6
65.03950	4.2
67.05514	55.0
69.03429	1.0
69.07079	3.2
71.50558	0.5
71.50967	0.6
76.41689	0.5
77.03940	2.9
78.03456	1.7
79.05508	21.2
80.05033	12.6
80.06275	1.0
81.03432	1.6
81.07068	100.0
82.01461	2.2
82.06607	0.5
82.07407	1.1
91.05502	2.6
93.07061	10.4
94.07861	1.0
95.04983	19.2
95.08621	49.6
96.04514	6.3
96.08921	0.6
100.02507	5.8
103.05514	0.7
105.03406	2.3
105.04516	2.6
105.07033	5.5
106.02926	0.8
107.04977	1.8
108.05754	13.1
108.09376	1.4
112.03984	0.6
118.03521	2.8
119.01955	2.1
121.06497	1.5
121.10164	1.0
123.04448	18.6
123.05566	22.1
123.08086	37.6
123.11716	20.7
124.03967	6.4
124.04799	0.8
124.07597	1.8
124.12046	0.7
137.02983	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.1171
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02406	0.6
52.93994	0.4
53.03952	3.7
55.01891	0.8
55.05515	5.3
57.07082	3.8
58.24604	0.4
65.03946	1.5
67.05511	19.7
69.07070	1.9
69.95446	2.0
70.41007	0.5
78.03458	1.8
79.05499	18.9
80.05024	20.9
81.03414	0.8
81.07063	100.0
82.01461	2.5
82.07375	1.1
83.08719	0.4
91.05513	0.5
93.07059	2.5
94.07819	0.9
95.04976	11.6
95.06143	0.4
95.08617	14.8
96.04501	12.0
98.21420	0.5
100.02498	8.3
101.00923	0.6
105.03391	0.5
105.04502	1.1
105.07043	1.3
106.02914	1.1
107.04975	0.6
108.05748	1.6
108.09376	0.8
112.03956	1.3
118.03542	3.4
119.01912	1.1
119.04640	0.4
121.10162	1.3
123.04459	6.5
123.05559	44.2
123.08066	6.7
123.09161	0.8
123.11716	17.9
124.03966	9.2
124.05878	0.6
124.07619	0.9
140.03450	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0807
Annotation	4-Ethylphenol
Peak:m/z	Relative Intensity
53.00302	0.5
53.03952	7.2
55.01872	2.1
55.05514	21.2
57.07082	4.9
63.83408	0.6
65.03939	3.8
67.05508	81.1
68.05846	1.0
69.03441	2.2
69.07069	2.9
71.00334	1.4
72.07905	0.6
73.75332	0.6
77.03941	1.9
78.03447	1.0
78.72186	0.6
79.05497	42.0
80.05019	8.1
80.06292	2.0
81.03432	1.5
81.07059	100.0
82.01455	1.8
91.05494	3.6
93.07048	14.6
94.07816	0.9
94.45097	0.6
95.04972	17.3
95.08613	78.8
96.04487	3.7
96.08940	0.9
100.02492	4.2
103.05470	1.6
105.03407	3.5
105.04527	1.9
105.07034	8.0
106.02922	0.9
107.04964	3.2
108.05752	19.6
108.09367	1.1
118.03507	1.2
119.01901	1.1
121.06503	3.0
121.10140	1.3
123.04449	8.2
123.05559	17.2
123.08072	52.1
123.11711	22.3
123.84576	0.6
124.03963	3.5
124.07581	0.7
124.08364	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0443
Annotation	Tropolone
Peak:m/z	Relative Intensity
50.01590	1.1
51.02384	5.4
53.03953	8.9
55.01858	1.8
55.05507	4.2
56.80220	0.4
57.07081	2.7
63.77776	0.4
65.03943	2.2
67.05509	20.6
68.05849	0.6
69.07067	1.1
69.76795	2.9
77.03934	13.1
79.05502	9.8
80.05021	7.1
80.06247	0.6
81.03424	1.9
81.07063	46.1
82.01458	1.5
93.07068	2.5
95.04978	19.7
95.08610	13.2
96.04501	3.4
98.20897	0.8
100.02502	3.3
105.03408	13.2
105.04501	4.3
105.07029	1.8
106.02913	0.7
108.05769	2.5
118.03513	0.8
119.01921	0.7
119.50624	0.6
123.04443	100.0
123.05534	13.1
123.08070	15.4
123.11719	10.6
124.03963	2.5
124.04773	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0444
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	8.3
55.01853	3.5
56.96329	2.6
56.96566	24.2
57.03420	3.4
58.99862	2.5
65.03930	3.1
67.05510	17.7
69.03442	2.9
69.89883	9.7
77.03947	2.8
78.03474	6.2
79.05479	8.2
80.05016	40.8
81.03413	4.7
81.07066	14.1
82.01449	36.6
82.99841	6.7
83.00735	4.5
89.00765	2.7
94.02695	4.4
95.04984	36.5
95.06082	3.1
95.08588	4.8
96.04509	16.5
98.20881	3.6
98.97565	11.4
100.01872	3.6
100.02494	67.7
101.00887	49.8
105.04514	4.1
106.02895	4.3
109.00573	2.8
116.98628	3.2
118.03519	18.9
119.01930	100.0
119.12542	2.5
120.02569	4.9
123.04436	23.8
123.05542	86.8
123.08064	10.9
123.09094	3.1
124.03984	16.2
124.07529	2.7
137.02948	20.8
140.44666	2.2
142.03497	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	123.0808
Annotation	4-Ethylphenol
Peak:m/z	Relative Intensity
51.02369	1.3
53.03949	8.4
53.14744	0.7
55.01870	1.2
55.05514	12.0
55.80315	0.7
57.07078	5.4
61.61375	0.7
65.03941	2.8
67.05509	49.8
69.07085	4.5
71.50388	1.1
77.03923	2.3
78.03462	1.3
79.05499	30.1
80.05024	18.7
80.06271	2.4
81.03424	2.7
81.07061	100.0
82.01443	3.5
82.07420	1.0
87.36095	0.9
91.05479	3.0
93.07057	9.8
95.04973	20.4
95.06139	1.0
95.08613	59.5
96.04506	6.7
100.02493	8.7
103.05491	1.8
105.03412	1.1
105.04539	2.5
105.07037	13.5
107.04952	9.1
108.05747	47.1
109.06097	1.1
112.03962	1.3
118.03522	2.5
119.01940	2.2
121.06519	6.8
121.10166	1.4
123.04453	9.5
123.05560	35.3
123.08076	88.1
123.11707	20.9
124.03979	12.0
124.07599	1.0
124.08471	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0808
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	0.8
51.81295	0.4
53.03950	4.6
55.01882	1.6
55.05516	9.0
55.47451	0.5
57.07079	5.2
57.28304	0.5
65.03951	2.2
66.04745	0.6
67.05509	35.1
69.03445	1.0
69.07079	2.9
69.49810	3.7
77.03960	1.8
78.03469	1.4
79.05499	26.4
79.05963	1.4
80.05025	11.2
80.06279	1.3
81.03402	1.2
81.07063	100.0
82.01453	2.3
82.07414	1.2
88.73577	0.6
91.05504	1.1
93.07053	6.6
94.07848	1.2
95.04981	13.7
95.08614	38.8
96.04506	6.5
96.08147	0.7
96.08920	0.5
100.02489	7.2
101.00873	0.6
103.05487	1.2
105.03398	0.8
105.04529	1.7
105.07034	8.4
106.02921	0.6
107.04966	5.6
107.07761	0.6
108.05750	30.5
112.03982	0.5
118.03535	2.4
119.01953	1.3
121.06531	4.2
121.10153	1.6
122.27005	0.6
123.03617	0.8
123.04461	7.3
123.05573	21.4
123.08077	57.0
123.11714	23.4
124.03969	4.8
124.07591	0.7
124.08457	0.8
142.56488	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.1016
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	2.4
53.03954	17.7
54.38710	0.8
55.01871	1.1
55.05516	4.1
59.61309	0.9
65.03943	3.4
67.05507	2.3
67.29284	0.8
70.63290	1.6
70.63621	1.6
75.06628	0.8
75.44966	0.8
77.03927	3.9
78.04710	2.0
79.05505	50.3
81.07055	2.8
81.39336	0.9
88.60755	1.0
91.05492	41.9
93.07054	59.7
94.07413	1.3
95.04988	12.5
103.05484	24.0
105.04536	7.8
105.07043	100.0
106.07864	7.8
111.04414	0.9
119.08600	15.6
121.02911	2.4
121.06522	17.1
121.10157	51.0
123.08070	7.5
133.07603	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	121.1015
Annotation	3-Ethyltoluene
Peak:m/z	Relative Intensity
51.02377	1.2
53.03949	9.6
55.01867	1.2
55.05506	2.2
61.03319	0.5
65.03938	3.5
67.05500	1.4
71.36201	0.9
77.03935	2.8
77.22961	0.6
79.05498	42.1
81.07047	0.7
91.04911	1.1
91.05486	24.1
93.07050	29.5
95.04984	8.7
103.04803	1.3
103.05473	24.6
103.06159	1.3
105.04527	4.2
105.07037	100.0
106.07875	7.4
107.04964	7.7
119.08590	14.2
120.05689	1.0
120.08936	0.6
121.02864	2.1
121.03946	0.9
121.05676	0.8
121.06517	13.3
121.10151	50.4
122.07281	2.0
122.10491	1.6
123.08076	7.2
133.07613	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	121.1014
Annotation	3-Ethyltoluene
Peak:m/z	Relative Intensity
50.65944	1.2
51.02367	1.5
53.03755	1.5
53.03953	15.6
55.01873	2.1
55.05510	9.4
60.29757	1.2
65.03672	1.2
65.03947	15.3
67.05508	36.3
71.51002	2.5
77.03915	2.4
79.05497	92.9
80.04989	1.3
80.05843	1.3
81.03375	1.8
91.05482	38.3
93.04521	4.4
93.07049	100.0
94.04147	1.6
94.06571	2.3
94.07333	1.4
95.04977	16.3
103.05479	22.3
105.04517	8.6
105.07031	31.5
106.07808	3.6
107.07304	1.7
111.04451	2.6
119.08585	4.3
121.02876	15.7
121.04003	9.5
121.04810	1.5
121.05086	1.0
121.06536	20.8
121.07465	2.4
121.10149	39.7
122.06012	3.6
122.09657	3.7
123.08059	2.3
133.07657	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.1015
Annotation	3-Ethyltoluene
Peak:m/z	Relative Intensity
50.85042	1.3
50.95937	1.2
53.03956	16.0
55.01881	2.2
55.05516	9.8
58.01862	1.3
58.90961	1.3
65.03950	16.0
67.05512	43.8
71.40636	2.7
77.03922	2.6
79.05502	96.3
80.06273	1.8
81.03413	2.6
81.07079	2.7
91.05492	39.3
91.49871	1.2
93.04524	5.5
93.07052	100.0
94.06542	2.5
95.04979	16.0
96.04530	1.6
103.05481	16.4
104.05791	1.5
105.04520	9.3
105.07039	32.3
106.07816	3.7
107.07354	2.1
111.04451	3.7
117.57402	1.6
119.08592	5.4
121.02887	14.2
121.03968	10.6
121.06525	17.2
121.10148	41.3
122.06051	4.7
122.07160	2.4
122.09664	5.5
122.10505	1.5
123.08062	3.2
133.07669	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.0651
Annotation	Phenylacetaldehyde
Peak:m/z	Relative Intensity
50.01588	1.0
51.02378	3.1
53.03951	33.1
55.01883	5.5
55.05507	3.3
56.44618	0.7
57.73235	0.8
59.68980	0.7
61.11190	0.8
63.94849	0.9
65.03947	17.3
66.04271	1.0
67.05506	2.9
68.99794	1.0
69.03352	0.7
69.42297	0.7
71.50565	1.3
76.77611	0.6
77.03938	8.1
78.04707	3.2
79.05498	33.4
80.12152	0.7
81.03420	4.9
81.07091	1.5
84.37209	0.7
90.54110	0.7
91.05489	100.0
92.05808	1.5
93.03418	0.8
93.05358	2.9
93.07052	89.6
94.06579	1.1
94.07368	1.2
95.04977	33.0
103.05476	36.3
104.05763	1.0
105.03421	1.5
105.04520	17.5
105.07039	51.3
106.04200	2.5
106.07860	4.3
111.04420	3.8
119.08600	7.2
121.02882	16.5
121.03988	6.4
121.04769	1.5
121.06516	52.1
121.10154	27.6
122.06051	1.7
123.08105	3.9
133.07654	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	121.1015
Annotation	2-Ethyltoluene
Peak:m/z	Relative Intensity
51.02383	1.9
53.03711	1.2
53.03949	16.6
55.01869	1.6
55.05511	5.5
65.03945	6.2
67.05501	3.6
72.55022	1.0
77.03926	4.1
78.04707	0.9
79.05499	59.0
80.14935	0.8
81.03400	2.1
81.07056	2.7
91.05488	49.7
92.05821	1.4
93.04536	1.0
93.07052	69.9
94.06544	0.8
94.07369	1.2
95.04971	18.1
103.05470	25.7
105.04523	8.1
105.07039	100.0
106.07867	8.1
111.04407	1.0
119.08583	15.2
120.05762	1.0
121.02898	5.3
121.04033	2.1
121.06522	25.6
121.10152	60.0
122.06077	1.0
122.10460	1.8
123.08076	8.7
133.07625	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	121.1015
Annotation	3-Ethyltoluene
Peak:m/z	Relative Intensity
51.02384	2.2
53.03755	1.0
53.03955	13.4
55.01875	1.6
55.05503	3.8
58.24226	0.8
58.63866	1.0
65.03949	6.8
65.26595	0.8
67.05498	2.0
69.72726	5.5
77.03927	3.0
78.04698	1.1
79.05502	48.0
81.03429	1.2
81.07050	1.8
91.05493	32.0
93.07053	42.8
94.06576	1.0
94.07407	0.9
95.04990	10.6
100.65621	0.9
103.05477	25.1
104.05826	2.9
105.04548	6.9
105.07041	100.0
106.07857	8.3
111.04444	1.3
119.08593	15.5
120.05772	1.6
121.02905	5.4
121.04018	2.0
121.06519	14.3
121.08423	2.9
121.10155	54.5
123.08071	9.2
133.07637	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	119.0858
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
53.03945	4.3
54.04278	0.9
59.31038	0.5
65.03947	4.2
69.60583	1.1
69.60994	2.7
77.03921	1.0
78.04330	0.6
78.04728	2.0
79.05495	8.2
91.05486	89.1
93.07054	5.4
95.04973	2.2
96.05336	1.7
102.04691	0.8
103.05473	12.1
104.06258	12.2
105.04518	1.9
109.06515	0.8
115.05462	5.2
117.07021	19.1
119.06831	2.6
119.08586	100.0
120.08908	1.2
131.07115	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.086
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
53.03952	2.9
54.04306	0.8
65.03949	7.1
67.05515	0.7
70.10882	2.1
70.33027	0.5
74.36867	0.5
79.05502	5.3
91.05495	100.0
92.05006	0.8
92.05842	1.1
93.07061	4.4
95.05017	2.4
97.30346	0.4
102.04742	0.5
103.05480	10.6
104.06265	10.2
104.45982	0.5
105.04523	1.2
109.06531	1.3
115.05479	4.5
117.07040	23.5
119.04963	4.7
119.06076	1.9
119.06866	1.6
119.08592	61.8
120.08115	2.3
120.08895	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.0651
Annotation	Phenylacetaldehyde
Peak:m/z	Relative Intensity
50.01601	0.9
51.02378	1.9
53.03953	14.2
55.01880	2.2
55.05509	1.5
55.44604	0.5
56.80116	0.5
64.16276	0.5
65.03946	22.8
67.05518	1.2
69.21844	1.6
69.22266	3.7
73.40918	0.5
77.03935	4.3
78.04713	14.9
78.59997	0.4
79.05499	20.9
81.03426	1.4
81.07087	0.8
91.05488	100.0
91.26187	0.4
92.05817	1.8
93.07052	23.8
95.04968	14.2
100.92289	0.5
103.04808	0.7
103.05473	10.9
105.03414	0.6
105.04526	6.2
105.07040	33.9
106.04169	7.7
106.07838	3.3
111.04442	0.9
119.06061	0.4
119.08582	4.6
120.05758	0.6
121.02868	6.2
121.03984	1.6
121.06514	52.0
121.10152	18.2
123.08105	2.8
133.07605	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	119.0859
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
52.01895	0.7
53.03951	3.9
54.04272	1.1
58.06610	8.7
59.06118	5.5
59.06941	11.6
59.07386	9.1
60.07094	1.4
60.07724	12.0
65.03949	5.2
70.68938	1.6
70.69312	1.5
71.06926	0.9
78.01134	2.4
78.03463	1.6
78.04720	1.8
79.05505	8.3
87.05618	1.1
91.05492	100.0
92.05024	2.6
92.11591	0.8
93.04525	2.6
93.07057	5.4
95.04982	3.0
96.04504	8.0
96.69286	0.8
102.09164	1.3
103.05475	10.5
104.06256	12.2
105.04525	1.3
110.06073	0.9
115.05473	4.9
117.07030	20.0
118.06536	1.1
119.04868	0.9
119.05177	1.1
119.06107	13.1
119.06842	2.1
119.08632	64.0
119.12548	0.8
120.05611	6.7
120.08118	1.8
120.08920	1.6
120.10265	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0859
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
53.03950	4.0
54.04282	0.8
56.05059	0.5
57.06473	0.6
58.63811	0.6
65.03941	6.2
68.83044	0.6
70.43194	2.2
71.37182	0.5
72.34175	0.5
75.43767	0.5
77.03922	0.8
77.94999	0.6
78.04691	0.7
79.05494	7.3
80.68797	0.5
86.43587	0.7
91.05486	100.0
92.05821	1.1
93.07057	4.6
95.04964	2.9
95.22749	0.5
96.05327	0.6
98.21471	0.6
102.04693	0.8
103.05470	12.5
104.06252	12.2
104.06910	1.1
105.04527	1.7
109.06506	0.9
109.56155	0.6
115.05466	5.4
117.07026	28.2
119.04974	2.1
119.06078	1.6
119.06856	2.5
119.08584	83.7
120.08910	1.8
133.90895	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0866
Annotation	Betaine
Peak:m/z	Relative Intensity
53.03946	1.7
55.05524	0.6
58.06604	39.8
59.04997	1.2
59.07387	37.1
60.08169	0.7
69.15758	4.9
70.72437	0.5
72.08161	3.0
73.32111	0.5
87.04446	0.8
90.89185	0.4
91.05479	1.6
95.04987	1.4
100.07596	0.5
105.04526	0.5
118.08665	100.0
118.12333	2.1
119.09059	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0193
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96561	4.0
65.03934	2.9
67.05520	10.1
68.58975	1.8
68.73264	1.8
69.03429	4.5
70.17445	7.5
77.35217	1.9
79.05502	3.2
80.02947	5.1
80.06279	3.0
81.07059	3.8
82.01446	7.3
82.99825	3.3
85.01417	7.4
91.05489	32.7
93.07077	2.4
100.02499	13.6
101.00893	38.4
102.02252	2.8
103.02464	11.4
104.02560	1.9
105.31014	1.8
107.05299	13.7
107.55312	2.6
116.05784	7.2
117.05746	2.5
118.01165	2.8
118.03501	4.0
119.01937	100.0
119.08607	7.6
121.03528	4.3
129.03979	4.5
137.02980	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	119.0195
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	2.0
55.01868	3.9
55.05499	3.0
56.96570	63.5
57.03436	9.0
58.96190	1.3
60.95852	1.4
61.02921	3.1
64.45554	1.2
65.03936	4.7
66.00525	1.4
66.50311	1.1
67.05510	2.0
68.00266	3.8
69.03434	8.0
69.07076	1.4
69.16702	10.7
70.98113	1.8
71.01351	2.4
71.03004	1.6
71.05010	1.4
71.95243	2.0
72.08116	1.3
73.02929	4.4
73.08475	1.1
74.00263	5.4
75.01050	5.3
75.41978	1.4
77.00780	7.0
78.52939	1.6
79.05483	1.3
80.00231	1.9
81.01056	2.2
81.03407	2.5
82.01443	7.2
82.99838	4.3
83.00783	13.5
83.04987	2.2
84.96049	2.4
85.01401	1.9
85.02908	5.1
87.01020	2.7
89.00788	7.7
90.01569	2.5
91.04975	2.3
91.05488	27.1
92.01309	6.1
93.01058	1.5
93.53467	2.2
95.52345	1.6
96.01566	4.3
97.02908	2.5
98.01308	7.9
98.97594	36.2
100.02493	14.2
100.97182	2.0
100.98012	1.6
101.00885	49.4
102.00959	1.4
102.01573	2.7
103.02422	3.9
104.52872	1.8
105.02088	2.7
107.01788	2.4
110.01311	1.1
110.97570	5.6
111.02089	6.6
112.99138	2.6
113.00876	4.0
115.02434	1.6
116.53680	1.4
116.98618	9.5
117.00282	2.1
118.03477	1.7
119.01928	100.0
119.03622	4.6
119.04942	3.9
120.01875	2.1
120.02715	6.2
125.01813	2.4
126.00810	1.3
128.02348	1.3
128.98621	4.0
129.03139	1.8
131.01904	8.4
134.02374	1.3
134.99667	1.6
137.02965	21.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0655
Annotation	Indole
Peak:m/z	Relative Intensity
50.01599	1.4
51.02381	8.7
53.03951	87.2
55.01862	2.7
58.06594	4.1
58.17147	1.4
59.07379	5.1
62.16700	1.3
65.76012	1.5
69.41105	9.0
69.41502	4.0
72.19831	1.3
77.03937	25.9
81.03417	7.6
91.05489	16.8
95.04975	75.6
103.05505	2.6
105.03846	3.2
105.04523	42.5
105.89610	1.4
116.05747	1.4
117.07027	4.5
118.06553	100.0
118.08643	13.6
119.08587	18.4
125.35977	1.4
127.85243	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0867
Annotation	N-Methyl-a-aminoisobutyric acid
Peak:m/z	Relative Intensity
53.03951	0.7
55.05516	20.7
55.68224	0.4
56.05060	0.7
56.96568	2.2
57.03428	0.5
57.05822	1.7
58.06606	16.8
58.95425	0.8
59.05000	0.6
59.07386	15.6
62.87527	0.3
65.03944	0.4
69.03433	1.5
69.46691	0.8
69.47117	2.1
70.06595	1.2
71.03011	0.4
72.08161	100.0
73.08507	0.6
73.85767	0.4
76.92896	0.5
76.93366	0.9
78.52975	1.0
79.05464	0.5
82.01457	1.4
83.33265	0.3
84.09306	0.3
85.01431	0.4
85.02918	0.7
91.05482	1.8
95.04984	0.5
100.02475	3.3
103.02455	0.8
106.05054	1.1
107.05299	0.5
112.07583	0.9
115.02455	0.4
117.79953	0.3
118.03510	0.7
118.08664	43.8
119.01963	0.5
126.08446	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	116.071
Annotation	L-Proline
Peak:m/z	Relative Intensity
55.05511	0.1
56.05033	0.2
56.96567	0.6
57.03442	0.1
62.06150	0.1
65.35691	0.1
68.00253	0.1
68.05033	0.5
69.03421	0.1
69.88442	0.6
70.06599	100.0
71.06938	0.7
82.01457	0.2
83.00781	0.2
84.01254	0.2
89.54845	0.1
92.01300	0.1
98.06084	0.2
98.07193	0.3
98.09709	0.4
98.20799	0.2
98.97601	0.3
100.02507	0.2
101.00902	0.1
102.02264	0.2
103.00614	0.1
104.57113	0.1
113.03607	0.2
113.44315	0.1
116.07101	9.0
116.10740	0.2
121.01690	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0655
Annotation	Indole
Peak:m/z	Relative Intensity
50.01598	2.0
51.02390	5.5
53.03952	67.6
55.01869	3.2
55.05494	1.5
58.06606	41.9
59.07388	39.4
61.45094	1.1
62.64420	1.2
67.82732	1.2
68.99763	1.2
69.44405	9.5
70.06583	1.2
71.05005	1.2
72.08164	6.3
76.93370	4.3
77.03931	12.0
81.03420	7.6
87.04473	3.0
91.05489	22.7
94.74191	1.2
94.94403	1.4
95.04978	62.6
100.07633	1.2
105.04522	38.2
116.05802	4.4
117.07032	2.6
118.06559	83.9
118.07291	4.7
118.08662	100.0
119.08548	7.0
131.49347	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	113.0601
Annotation	1,4-Cyclohexanedione
Peak:m/z	Relative Intensity
55.01874	2.2
55.05512	6.1
57.03431	5.6
57.07079	73.7
65.03949	11.2
67.01859	5.6
67.05508	96.3
67.10703	1.1
68.05029	9.5
69.03440	2.3
69.07081	2.6
70.02957	14.6
70.06600	8.2
71.04994	22.3
71.50686	1.3
71.94106	14.9
72.08105	1.3
72.93791	18.5
77.20856	1.1
83.95800	1.2
84.63139	1.4
85.02900	1.3
85.06543	26.3
86.06030	1.3
90.94854	3.2
95.01327	5.1
95.02454	1.7
95.04976	27.8
95.08614	2.5
96.00857	10.3
96.04514	11.7
109.89976	1.1
113.02375	100.0
113.03503	18.4
113.06001	24.7
113.07147	3.4
113.07921	2.3
113.10777	2.2
114.02661	1.5
114.05553	5.8
114.09177	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	1159.5716
Annotation	Unknow
Peak:m/z	Relative Intensity
144.27232	0.4
186.26042	0.3
201.10497	0.3
239.96744	0.3
257.89493	0.3
374.67520	0.3
396.12091	0.7
397.12805	1.0
398.13898	0.5
409.12915	0.4
410.13763	1.1
411.14490	3.8
412.15411	3.0
413.16101	1.3
423.14429	1.4
424.11472	1.0
424.15598	1.1
425.16321	8.0
426.16946	5.1
427.17722	0.9
428.18372	0.8
437.16470	0.5
438.12119	1.7
439.13504	8.3
440.19141	3.6
441.19351	26.2
442.19516	1.4
451.18295	0.6
452.13910	1.7
453.15350	10.3
454.15884	3.1
458.15775	0.6
463.13879	0.6
465.15845	0.8
466.12076	0.5
466.17139	0.6
467.17261	22.3
468.17960	8.3
469.18878	11.3
470.18954	0.5
472.18134	0.4
479.17239	0.4
480.18008	0.5
481.14975	17.9
482.15228	3.1
494.15976	0.5
495.16025	2.9
496.17331	8.8
497.18179	3.1
498.18948	0.6
499.15161	0.4
508.19421	0.6
509.18234	2.1
512.20520	0.9
514.22034	1.3
515.17902	0.4
522.18298	0.8
523.19794	1.4
524.20416	0.5
527.23779	1.8
528.23926	0.5
539.19293	0.5
542.21503	0.9
555.22418	17.0
556.22754	1.2
568.19946	0.5
583.21936	100.0
584.22223	7.2
587.25146	0.9
611.21283	1.6
614.23950	0.5
615.24457	4.3
642.23193	1.4
643.24030	78.0
644.24268	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	1124.5432
Annotation	Unknow
Peak:m/z	Relative Intensity
78.03453	1.3
79.05499	0.9
80.05027	4.7
81.03421	0.7
81.07053	0.8
83.04990	0.6
91.05488	1.8
93.07035	0.6
95.04979	7.9
96.04502	5.1
105.03402	100.0
105.04537	4.0
105.07001	2.1
106.02912	2.2
106.03726	1.0
107.04958	0.7
107.08597	0.5
117.07039	0.6
119.08572	1.8
121.06514	0.8
121.95409	0.4
123.04437	1.4
123.08048	0.6
124.03967	95.9
125.04300	1.1
128.06224	0.6
129.07024	1.5
131.08594	1.2
133.06509	2.3
133.10202	0.5
135.08061	0.8
137.02364	1.1
137.05989	1.0
138.82309	0.4
141.07059	0.9
142.07745	0.9
143.08588	1.6
145.06540	1.0
145.10159	1.0
147.08051	5.7
147.11742	0.5
149.05981	0.9
151.07561	0.8
155.08627	0.4
156.09383	1.0
157.06462	0.9
157.10165	1.2
158.07249	0.4
159.08073	1.9
159.11703	0.7
161.05984	1.1
161.09706	0.6
161.13298	0.4
163.07495	0.9
169.06572	0.4
171.08133	1.2
171.11746	2.3
173.09642	0.8
175.07576	14.1
175.11150	0.7
177.09174	1.0
179.07033	0.4
180.17128	0.4
181.10149	0.8
183.11859	0.4
184.08868	0.6
185.09641	1.7
187.07558	1.9
187.11215	1.3
189.09024	0.5
189.12807	2.3
189.14368	0.5
191.07146	0.4
191.10687	0.5
193.08627	24.5
194.09122	0.4
199.11192	5.0
201.09215	1.1
201.12840	0.8
203.07149	0.6
203.10698	1.1
205.08664	1.7
205.12267	0.7
212.08377	0.7
215.10687	3.7
217.08838	0.5
217.12248	6.7
227.10677	5.0
233.11716	5.3
235.09679	20.3
235.13344	0.7
236.10278	0.4
245.11752	16.2
247.09584	0.4
252.09491	0.4
263.12784	2.3
275.12711	2.1
279.10202	0.6
287.13007	1.2
295.61551	0.4
297.07474	0.4
297.11053	0.9
305.13898	3.4
309.11603	0.5
320.95154	0.5
340.22195	0.4
349.14590	0.5
357.37970	0.4
365.16016	0.6
367.15475	1.8
415.17569	13.4
415.23001	0.7
427.17581	6.0
487.19696	2.0
550.20514	1.1
610.22876	63.0
611.23212	2.7
681.67456	0.4
1082.31531	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1125.5047
Annotation	Unknow
Peak:m/z	Relative Intensity
99.12175	0.4
124.25276	0.4
151.62378	0.4
153.15767	0.3
298.84189	0.4
324.13602	0.4
324.54446	0.4
397.12741	0.9
398.14044	0.7
400.15576	0.4
410.13876	1.3
411.14487	3.2
412.15048	2.7
413.16034	1.2
423.15042	0.9
424.16180	2.3
425.11618	0.5
425.16315	7.1
426.17010	5.6
427.17560	1.7
428.18579	1.1
437.12091	0.8
438.13132	1.5
438.17886	0.7
439.13672	9.4
440.19138	3.9
441.19345	26.6
442.19492	1.8
451.18246	0.6
452.14130	2.5
453.15311	11.4
454.16006	3.5
463.14041	0.6
466.16577	0.7
467.17212	20.3
468.17844	10.6
469.18933	9.4
470.18948	0.6
472.17999	0.5
481.14789	11.2
482.15195	2.9
483.16434	0.6
485.18362	0.6
494.16183	0.5
495.16403	8.0
496.17154	16.0
497.17993	2.7
499.19873	1.1
509.18048	1.8
512.20471	1.1
514.22394	3.4
522.18335	0.4
523.19910	1.8
527.23749	2.0
528.23694	0.5
537.19171	0.9
540.20477	0.5
542.21790	0.9
545.23822	0.5
555.22418	26.5
556.22931	1.8
583.21942	69.9
584.22211	7.1
585.21924	1.0
586.21277	0.9
587.25043	1.1
611.21149	2.1
614.23486	0.9
615.24542	6.2
642.23285	7.5
643.23962	100.0
644.24030	7.0
645.24078	0.6
867.45044	0.5
981.89545	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1116.6694
Annotation	Unknow
Peak:m/z	Relative Intensity
77.03960	1.0
79.05494	32.2
81.03396	4.1
81.07057	44.4
83.04993	1.6
83.08609	4.8
85.02908	51.7
91.03959	39.0
91.05476	25.9
93.07050	38.7
93.07635	2.6
95.04951	3.1
95.08607	41.5
97.02305	2.1
97.02896	32.0
97.06505	2.2
97.10169	4.3
98.20789	1.2
99.04443	2.8
99.08082	1.6
101.02396	1.3
104.26264	1.0
105.04518	1.2
105.07036	19.9
107.08600	19.5
109.02867	1.6
109.06550	1.6
109.10159	21.9
115.03934	3.0
117.07024	5.5
119.08575	14.6
121.10139	17.9
123.08076	1.3
123.11697	6.9
127.03921	23.3
129.06960	1.5
130.07832	1.0
131.08580	12.6
133.10139	13.4
135.11690	13.6
137.13226	3.1
143.08502	1.9
145.04970	30.1
145.10135	10.8
147.11703	10.9
149.13248	9.2
157.10123	1.9
159.11685	10.5
161.13280	9.8
163.06017	59.8
163.14809	4.3
169.10123	1.1
170.92581	1.1
171.11705	1.8
173.13255	7.9
175.14825	4.0
177.16441	1.1
185.13240	3.1
187.14761	3.6
196.92006	0.9
199.14818	2.2
201.16438	2.0
203.14299	1.1
203.17860	1.1
213.16429	1.1
215.17868	1.0
231.20941	1.2
241.19444	4.3
243.21072	5.8
245.22462	1.0
259.20612	11.5
261.22165	22.4
263.23837	1.7
277.21640	1.5
317.24734	3.0
325.11203	2.7
333.24252	13.9
335.25815	100.0
336.26123	3.1
337.27383	15.5
442.20685	1.1
489.36417	1.6
521.43213	3.0
539.44287	2.1
557.42352	1.3
595.47156	22.2
596.47498	1.5
613.48267	36.1
614.48193	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	111.1172
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00295	0.7
53.03940	2.8
53.99832	1.1
54.03476	1.0
55.01873	5.3
55.05516	37.8
56.05035	4.3
57.04548	0.7
57.07087	1.2
58.06601	2.1
61.49517	0.5
62.47344	0.7
65.03942	2.3
67.02983	0.5
67.05509	3.5
68.05029	4.8
69.03424	2.3
69.04549	3.6
69.07072	100.0
70.04076	0.6
70.04896	1.7
70.05313	1.0
70.06596	39.5
70.07408	1.4
71.01377	0.6
71.06125	2.8
71.06978	0.5
71.07369	2.3
81.07059	0.6
82.05331	2.1
82.06569	1.2
83.04990	5.5
83.06108	8.5
83.08629	0.8
84.08159	3.0
85.07668	2.3
88.00484	2.7
91.05485	1.0
93.07076	1.4
94.06594	3.7
95.06103	2.9
96.05621	3.0
96.06888	2.4
97.01022	1.9
99.51279	1.5
110.07169	10.8
111.04460	8.6
111.05589	10.5
111.06767	1.7
111.07500	6.1
111.08042	5.6
111.09208	55.8
112.03980	1.1
112.05113	1.2
112.07589	1.3
112.07887	0.7
112.08746	14.4
112.09531	0.5
115.96413	1.9
121.30563	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	111.0208
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03961	2.4
55.01884	11.0
55.05519	14.3
56.05043	0.6
56.96574	100.0
57.03446	13.3
58.99765	1.8
60.00541	0.6
61.02935	3.5
64.99747	1.1
65.03953	3.8
65.52211	0.6
66.00531	2.7
66.58185	0.4
67.05515	1.4
68.00279	7.2
68.02660	0.7
69.01064	1.2
69.03439	14.1
69.04560	0.4
70.06612	1.1
70.97787	0.5
70.98125	2.6
71.01366	1.9
71.05005	0.5
71.49439	0.7
71.74021	0.4
71.95274	9.8
72.00520	0.5
72.96056	1.7
74.00270	9.4
74.50469	0.4
74.97606	2.1
75.01054	6.3
75.04500	1.5
75.51682	0.5
77.00797	9.1
78.01565	0.5
78.01968	0.8
78.52971	0.6
79.01321	0.7
79.01851	0.6
79.51038	0.5
80.00280	1.1
81.01066	1.2
81.03434	3.3
82.00025	1.2
82.01398	2.3
82.01846	1.6
82.05331	2.7
83.00796	20.8
83.04993	14.8
83.06104	3.4
84.01589	3.8
84.04536	0.6
84.08166	1.3
84.96043	2.1
85.01382	0.4
85.02914	2.2
85.53741	0.5
86.01320	1.2
87.01070	0.6
87.02460	3.7
87.04490	1.7
87.51223	0.4
87.52602	0.8
88.01848	2.7
88.51614	0.6
88.99182	0.5
89.00783	5.1
90.01588	2.3
91.02379	1.1
92.01317	7.0
93.02129	0.9
93.03437	0.6
94.51636	0.7
95.00820	0.5
95.01378	0.5
95.02494	1.3
95.06098	0.5
96.01564	3.3
96.53157	0.9
96.54096	0.5
97.02357	1.4
97.02928	0.4
97.96822	0.5
98.01308	3.2
98.97599	52.2
99.04425	0.5
99.97961	1.1
100.02510	4.9
101.02612	0.7
102.01555	1.3
102.02265	1.0
105.02110	1.6
108.04865	0.6
109.00570	0.7
110.49879	0.6
110.97583	13.4
111.02074	2.1
111.04447	10.2
111.05592	3.0
111.06316	0.6
111.09224	1.1
111.64066	0.4
112.03986	0.4
112.05103	3.4
112.07627	4.6
112.11329	0.5
112.99146	4.0
116.98627	14.2
118.03576	1.2
119.01966	0.7
120.02613	2.4
122.52842	0.5
124.95515	0.4
124.99218	1.3
126.97115	0.4
128.98625	11.6
129.04008	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1016
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
50.31082	0.5
51.02390	0.4
53.03947	5.1
55.01868	0.6
55.05516	11.6
60.71475	0.5
65.03937	5.9
67.05509	100.0
68.05825	0.6
69.07074	6.8
70.05768	2.3
70.06116	0.7
76.09567	0.5
79.05504	11.9
80.06268	1.3
81.03429	6.0
81.07063	36.5
82.07368	0.5
91.05484	2.4
94.04195	2.3
94.07823	1.1
105.07014	0.6
107.04964	0.7
107.08598	3.6
109.02888	2.0
109.06531	7.8
109.07643	0.8
109.10163	40.0
110.06052	0.7
110.10503	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1017
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
51.02397	0.7
53.03954	11.7
53.04209	0.6
55.01885	2.5
55.05520	11.2
59.63227	0.4
65.03950	5.4
66.04732	0.9
66.76073	0.4
67.05514	100.0
68.05840	0.4
69.03419	0.6
69.07074	7.7
69.07422	0.6
69.68395	2.7
79.05505	24.2
80.06280	1.2
81.03431	16.0
81.07069	45.0
82.07410	0.9
87.00463	0.4
91.05490	5.6
94.04208	4.2
94.07838	1.6
95.05008	0.6
101.97181	0.5
102.81673	0.4
107.04966	2.1
107.08619	4.5
109.02891	6.1
109.06537	31.1
109.10172	47.7
110.06062	1.1
110.06831	0.5
110.10496	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1016
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
53.03952	13.5
55.01883	1.3
55.05515	11.2
55.05763	1.0
65.03946	6.4
66.04764	0.6
67.05509	100.0
68.05834	0.9
69.07072	6.5
69.22885	1.4
69.23299	3.7
69.31359	0.5
79.05498	17.4
80.06290	0.9
81.03425	17.1
81.07062	39.1
91.05487	4.6
94.04195	4.3
94.07829	1.3
98.57658	0.6
105.07053	0.9
107.04946	1.4
107.08591	4.2
109.02892	6.3
109.06530	19.0
109.07705	1.3
109.10164	45.3
110.06047	2.3
110.10492	0.7
111.04359	0.5
119.06084	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	110.0717
Annotation	Brunfelsamidine
Peak:m/z	Relative Intensity
50.52640	1.1
53.03938	2.0
55.05508	5.7
56.05050	1.8
65.03942	3.6
66.03452	2.0
67.04247	3.3
67.05527	1.5
68.05033	17.5
68.05825	2.1
69.04557	23.7
70.06588	3.9
71.23023	1.9
71.23356	1.4
71.69602	1.2
76.92435	1.2
80.05004	2.5
80.05866	1.3
80.82838	1.2
82.06587	9.1
82.07387	2.4
83.06097	6.7
84.71798	1.2
86.50618	1.8
90.38179	1.2
92.05009	2.4
92.92437	1.2
93.04523	5.0
95.03720	1.7
110.06047	70.1
110.07167	100.0
110.09685	3.9
110.10467	1.6
111.04435	2.6
111.05600	1.9
111.09212	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	109.1015
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
53.03941	3.8
54.03476	1.0
55.01868	1.0
55.05513	10.4
56.05039	1.5
64.44183	0.5
65.03941	6.1
66.03456	0.6
67.02988	0.8
67.04253	1.6
67.05507	100.0
68.05033	13.8
69.04555	7.9
69.07066	5.8
70.10669	2.1
75.67076	0.5
76.05180	0.6
79.05497	12.2
80.05025	2.3
80.06273	1.3
81.03416	4.9
81.04564	1.3
81.05362	0.9
81.07058	34.9
82.06587	5.3
83.06100	2.7
91.05473	3.0
92.05009	1.5
92.05824	0.9
93.04551	1.7
94.04188	1.9
94.05293	1.0
94.07838	1.5
98.20771	1.1
105.07040	0.7
107.04910	0.6
107.08597	4.1
109.02882	1.7
109.04033	0.9
109.05302	1.0
109.06549	6.5
109.07652	47.1
109.08453	4.7
109.10155	40.8
110.06052	9.2
110.07175	31.8
110.07777	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1016
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
53.03951	8.0
54.09840	0.4
55.01880	1.0
55.05517	11.4
55.86797	0.5
65.03958	5.7
66.04721	0.5
67.05510	100.0
67.45724	0.5
68.05845	0.6
69.07075	7.1
71.39830	0.7
74.05518	0.5
79.05499	15.7
80.06283	1.3
81.03424	8.9
81.07064	40.7
82.06602	0.5
82.07375	0.6
83.05646	0.6
91.05491	4.6
94.04188	4.4
94.07826	1.7
107.04965	1.4
107.08611	3.0
109.02901	2.7
109.06525	18.0
109.07659	1.0
109.10165	45.5
110.06047	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.0653
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	1.4
53.00304	0.5
53.03955	16.4
55.01881	7.1
55.05517	6.2
65.03948	6.4
66.04719	1.7
67.02683	0.5
67.05514	55.2
69.07077	4.6
69.60638	2.8
71.61766	0.5
79.05505	47.4
81.03428	17.9
81.07069	49.8
82.06586	0.8
87.00471	0.7
91.05491	13.9
94.04201	6.6
94.07828	0.9
95.04993	0.8
107.04970	1.6
107.08605	2.1
108.20244	0.5
109.02901	5.3
109.06532	100.0
109.07720	2.8
109.10170	21.0
110.06058	3.3
110.06812	1.0
114.97107	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.0653
Annotation	o-Cresol
Peak:m/z	Relative Intensity
51.02370	0.6
53.03951	14.7
55.01875	6.6
55.05515	5.4
65.03945	7.5
65.47941	0.4
66.04711	1.6
67.05508	56.3
69.07065	2.8
71.08742	0.5
71.09081	0.7
79.05497	51.3
80.05836	0.5
80.06285	1.0
81.02934	0.7
81.03422	17.2
81.07059	53.0
82.06583	1.3
82.07407	0.5
86.00665	0.6
87.00440	1.2
91.05485	15.5
94.04188	7.1
94.06123	0.5
94.07859	0.9
95.04987	0.9
96.76509	0.4
107.04953	1.9
107.08611	1.7
109.02888	4.5
109.06525	100.0
109.07706	2.8
109.10161	22.7
109.10928	0.7
110.06042	3.7
110.06747	0.8
126.56099	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.0652
Annotation	o-Cresol
Peak:m/z	Relative Intensity
51.02384	1.6
53.03953	24.0
55.01667	0.7
55.01878	8.0
55.05515	6.4
59.08064	0.6
65.03945	7.7
66.04725	1.9
67.05511	69.9
67.93588	0.8
69.07067	3.4
71.51192	1.2
79.05499	48.7
80.06293	1.2
80.69409	0.7
81.03425	28.0
81.07063	53.3
82.06605	0.8
84.11337	0.8
86.42313	0.7
86.50621	1.1
87.00439	1.4
91.05491	14.6
92.05832	0.8
94.04177	5.9
94.06171	0.9
95.04919	1.0
105.07034	1.0
107.04964	2.5
107.08607	2.4
109.02888	8.4
109.06525	100.0
109.07575	3.9
109.08509	1.9
109.10164	25.6
110.06057	6.0
110.06738	1.2
113.96449	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.0652
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40542	0.5
53.03954	14.1
54.04284	0.6
54.21065	0.5
55.01878	6.1
55.05516	9.9
56.67093	0.5
65.03953	8.5
66.04726	1.1
67.05512	78.5
68.05850	0.7
69.03448	1.1
69.07079	4.8
69.38410	3.3
69.38826	1.2
79.05501	49.4
80.06280	1.1
81.03429	14.7
81.07066	59.2
82.06585	0.8
82.07410	0.6
91.05492	16.6
91.61575	0.5
94.04199	8.7
94.07827	1.2
95.04960	1.1
105.04518	0.6
105.07038	1.0
107.04986	3.2
107.08620	2.9
109.02911	3.5
109.06530	100.0
109.10165	36.3
110.06051	2.4
110.06774	0.7
110.89090	0.5
111.04472	0.5
112.12207	0.6
119.06037	0.6
126.75027	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.0653
Annotation	o-Cresol
Peak:m/z	Relative Intensity
53.03953	16.2
53.79832	0.6
55.01881	7.5
55.05519	9.3
61.50478	0.7
65.03958	6.3
65.80164	0.7
66.04724	1.9
67.05514	80.8
68.05879	0.7
69.07082	4.3
69.84097	1.3
69.84486	1.7
72.68351	0.5
79.05504	47.8
80.06278	1.4
81.03428	15.6
81.07066	58.6
91.05496	13.3
94.04214	5.0
94.07837	0.9
95.04965	1.3
102.43539	0.8
107.04972	2.4
107.08614	2.6
109.02892	5.1
109.06532	100.0
109.10170	34.7
109.10927	1.1
110.06027	1.8
116.58922	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.0652
Annotation	o-Cresol
Peak:m/z	Relative Intensity
52.73835	0.6
53.03718	1.0
53.03949	13.1
54.36491	0.6
55.01868	2.1
55.05515	7.4
65.03943	11.9
66.04723	1.2
67.05509	69.3
69.07076	5.3
70.68630	1.9
73.30150	0.6
79.05496	41.3
80.06273	2.0
81.03426	13.9
81.07063	57.3
85.18208	0.6
91.05484	22.1
94.04189	29.5
94.07845	0.8
95.04935	1.1
105.04498	0.9
105.07062	0.7
107.04965	13.7
107.08624	1.7
108.33459	0.7
109.02884	5.9
109.06524	100.0
109.10162	30.7
110.06062	0.9
110.06860	1.0
111.04449	2.3
119.06084	2.4
121.03985	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.0653
Annotation	o-Cresol
Peak:m/z	Relative Intensity
52.98215	0.5
53.03951	12.4
55.01879	6.4
55.05520	6.3
65.03954	6.4
66.04720	1.4
67.05514	50.3
69.07080	2.9
69.16298	6.4
74.42873	0.5
77.80331	0.5
79.05503	47.9
81.03429	10.4
81.07066	44.9
81.07449	0.5
82.07342	0.6
86.64796	0.6
91.05492	13.4
94.04201	5.5
103.32013	0.5
107.04972	1.3
107.08607	2.1
109.02895	2.5
109.06530	100.0
109.10165	19.4
110.06064	1.5
110.06834	0.9
116.01687	0.5
124.38516	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1089.4824
Annotation	Unknow
Peak:m/z	Relative Intensity
76.66170	0.2
84.68239	0.2
98.21553	0.3
155.41136	0.2
229.09883	0.3
288.72116	0.2
335.25726	0.3
345.50107	0.2
396.12091	0.3
397.13040	0.9
398.13788	0.5
409.13394	0.4
410.13950	1.4
411.14474	3.2
412.15222	2.3
413.16068	1.5
423.14417	0.9
424.11081	0.9
424.16257	1.7
425.16226	6.0
426.16818	4.6
427.17493	1.6
428.18387	0.9
437.12329	0.8
437.16919	0.4
438.12338	3.0
439.13510	8.5
439.65616	0.2
440.19077	3.2
441.19330	19.6
442.19547	2.6
451.08063	0.2
451.13019	1.1
452.14410	3.4
453.15195	9.9
454.15674	2.8
456.14261	0.4
458.16006	0.3
462.12473	0.2
463.14035	0.4
465.15405	0.8
466.16901	1.1
467.17203	17.4
468.17819	10.4
469.18881	7.6
470.19827	1.4
471.16922	0.3
472.17453	0.4
477.15521	0.4
478.15726	0.7
479.16806	0.3
480.13553	1.2
481.14749	10.9
482.15173	3.5
483.16034	0.5
484.17297	0.4
485.13559	0.3
490.18192	0.2
494.16263	0.8
495.16580	17.5
496.17004	29.2
497.17691	3.9
498.18411	0.4
499.20508	0.5
508.18689	0.4
509.18454	2.3
510.18579	0.7
512.20343	0.6
513.17487	0.4
514.16656	0.3
514.22125	1.3
522.17792	0.4
523.20404	1.0
524.20599	0.3
525.17419	0.7
526.18945	0.3
527.22705	2.1
528.19238	1.5
536.19086	0.8
537.19257	1.5
538.18127	0.7
539.18903	0.4
540.19666	0.3
542.21716	0.7
551.19177	0.4
555.22467	16.7
556.23077	1.3
567.18835	0.5
568.19330	0.8
569.20123	0.3
580.64594	0.2
582.21161	0.4
583.21936	54.2
584.22137	6.8
585.21960	0.5
586.20837	0.6
587.24896	1.0
599.21704	0.5
600.21820	0.6
601.22412	0.2
610.20850	0.6
611.20990	1.9
614.23376	0.7
615.24457	4.9
616.24200	0.3
628.21503	0.3
642.23254	20.6
643.23840	100.0
644.23987	7.3
645.24768	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.086
Annotation	Ethylbenzene
Peak:m/z	Relative Intensity
50.01585	0.4
51.02386	0.4
53.03948	3.3
55.01871	1.2
55.05502	0.5
55.27757	0.3
62.99070	0.3
63.89781	0.3
65.03947	15.8
65.04291	0.8
67.05511	3.0
69.95316	1.8
77.03938	1.2
79.05501	23.1
81.03418	0.8
91.05491	100.0
92.05793	0.8
92.06283	2.9
95.04983	3.6
98.21432	0.4
102.39247	0.3
103.05486	0.7
105.04549	2.0
105.07045	28.3
106.04182	1.0
106.07394	0.4
107.04967	18.6
107.08604	31.3
108.08950	0.7
109.06525	10.0
119.06082	9.2
124.05225	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.086
Annotation	Ethylbenzene
Peak:m/z	Relative Intensity
51.02382	0.4
53.03946	2.3
55.01867	0.9
58.88221	0.3
65.03941	12.9
67.05495	2.3
69.63120	1.6
77.03932	0.7
79.05496	16.2
81.03455	0.5
91.05482	100.0
92.05798	0.6
92.06275	3.2
95.04977	2.9
103.05460	0.8
105.04525	1.0
105.07034	28.8
106.04190	1.0
106.07362	0.4
107.04961	9.1
107.08595	29.1
109.06518	9.8
114.64540	0.3
119.06068	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	107.086
Annotation	Ethylbenzene
Peak:m/z	Relative Intensity
51.02381	0.7
53.03950	4.2
55.01875	1.3
60.31088	0.5
65.03611	0.8
65.03951	12.3
67.05522	3.4
69.37923	3.6
77.03931	1.0
79.05503	25.0
88.53519	0.4
91.05491	100.0
92.05791	0.6
92.06278	2.2
92.41714	0.5
95.04974	3.3
98.21559	1.0
103.05463	0.7
105.04514	1.9
105.07044	27.2
106.04163	0.6
107.04969	18.9
107.08608	28.3
108.49617	0.5
109.06525	9.3
119.06081	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	105.0702
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
50.01595	1.0
51.02375	2.6
53.03713	1.2
53.03952	19.8
55.01873	0.9
58.06590	2.3
59.06300	1.1
59.06944	6.4
59.97726	0.6
60.04498	0.7
61.08497	0.8
65.03946	3.2
70.41960	2.0
77.03934	4.5
78.73627	0.7
79.05499	62.3
81.03420	1.8
87.04893	0.7
88.04812	1.2
91.36301	0.7
95.04977	15.9
96.04492	1.1
98.10668	0.6
103.05476	36.8
105.03419	1.2
105.04537	11.2
105.07037	100.0
105.11087	2.7
106.06600	1.2
106.07398	2.2
118.06593	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0704
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	2.4
53.03953	19.6
56.58885	0.6
59.06947	1.0
60.04562	0.7
65.03944	1.6
70.66547	2.1
70.66928	1.0
71.43237	0.6
77.03947	5.9
79.05502	58.2
81.03408	1.9
95.04981	18.3
96.14851	0.7
103.05477	35.0
105.03447	3.3
105.04536	9.1
105.07041	100.0
105.11057	1.5
106.07396	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0704
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
51.02385	3.1
53.03720	1.2
53.03952	17.9
56.37268	0.9
60.34597	0.9
65.03960	1.0
69.38695	8.2
71.48864	0.9
77.03940	5.0
79.05501	55.7
81.03407	1.1
87.00829	2.1
95.04977	16.2
95.83405	0.9
103.04800	2.1
103.05476	34.5
105.03434	1.0
105.04530	8.2
105.07040	100.0
106.07368	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0703
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
50.01580	1.2
51.02390	4.3
53.03951	30.6
55.01872	2.1
57.23632	0.6
59.06937	1.0
65.00121	0.6
65.03939	1.3
71.28094	0.9
71.28442	0.9
77.03940	9.2
79.05499	53.7
80.05798	0.6
81.03413	3.8
87.00850	1.1
93.15752	0.6
95.04375	1.3
95.04979	27.2
103.05476	33.6
105.03423	12.9
105.04519	15.8
105.07040	100.0
105.11104	1.0
106.07330	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0705
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	2.1
53.03715	1.2
53.03958	21.8
58.06601	3.3
59.06301	1.3
59.06947	7.4
60.04520	2.4
65.03940	2.8
66.15943	0.9
69.91744	0.9
71.51089	1.3
77.03921	3.4
79.05507	53.1
81.03426	2.0
95.04986	19.1
96.04492	1.3
103.05483	34.6
105.03398	3.5
105.04542	11.9
105.07046	100.0
105.11105	2.9
106.06612	1.2
106.07340	1.8
111.93098	0.9
112.40165	1.1
118.80811	1.0
124.08346	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	104.1075
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06599	5.8
59.07383	1.7
60.08165	53.6
61.38917	0.2
69.03444	0.3
69.76961	1.1
71.18887	0.2
87.04464	0.5
98.21505	0.2
104.10745	100.0
105.11069	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.034
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01591	3.9
50.39510	0.8
51.02383	14.4
53.03950	100.0
55.01881	5.1
57.51312	0.8
57.59971	0.7
58.06604	1.0
59.06930	2.8
60.08144	1.6
60.79328	0.8
61.08490	1.4
68.99789	1.6
71.51471	1.2
77.03934	23.1
79.05499	32.1
81.03422	10.7
84.74619	0.8
95.04973	99.7
96.04549	0.9
102.04639	0.7
103.05474	21.1
105.03396	72.7
105.04520	57.1
105.07034	58.9
105.11066	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	105.0339
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01591	2.6
51.02383	14.0
52.08734	1.2
53.03950	100.0
55.01868	4.4
55.71830	1.0
59.06937	1.5
71.47552	1.4
77.03931	29.2
79.05496	54.1
81.03413	8.1
86.29190	1.2
87.00819	3.1
95.04974	92.4
97.05341	1.1
103.05472	34.9
105.03399	65.0
105.04523	48.3
105.07035	93.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.034
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01604	4.0
51.02386	13.4
51.53294	0.7
53.03951	100.0
55.01876	5.5
56.66874	0.9
57.42292	0.7
59.06934	1.7
70.57370	0.8
71.17202	0.9
71.17547	1.1
77.03934	29.2
79.05499	21.3
81.03425	10.4
83.11734	0.6
87.00862	1.5
90.55804	0.8
95.04977	98.2
103.05475	12.2
105.03401	73.2
105.04524	53.7
105.07035	41.9
105.11063	1.3
118.06562	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0339
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01599	3.9
51.02385	12.6
53.03949	100.0
55.01878	5.2
58.06602	0.9
59.06938	3.0
60.04528	0.9
60.08164	0.7
61.08504	1.7
61.51812	0.6
68.99802	0.8
71.51759	1.0
76.52927	0.6
77.03476	0.8
77.03932	21.3
79.05497	29.5
81.03421	8.8
87.00829	1.1
95.04971	96.0
96.05291	0.9
103.05478	19.6
105.03395	68.9
105.04518	53.9
105.07034	51.2
105.11090	3.4
106.04858	0.8
106.06572	0.7
106.82063	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1032.5317
Annotation	Unknow
Peak:m/z	Relative Intensity
72.08152	1.1
74.00662	0.8
76.02235	50.8
76.04012	2.1
79.05495	13.3
80.04996	1.3
81.03425	26.5
81.07066	16.3
83.04977	2.3
83.06096	1.1
83.08615	5.5
84.04501	13.3
85.04041	3.9
86.09714	2.9
86.99046	2.9
88.02200	1.4
91.05487	13.2
92.01715	1.5
93.06490	1.0
93.07053	13.4
95.04975	9.8
95.08615	12.0
97.02897	2.4
97.06526	1.2
97.10173	1.3
98.00620	0.6
98.06056	0.8
103.05473	0.9
104.10741	1.6
105.07037	8.9
107.04946	2.4
107.08592	6.1
109.06519	1.2
109.10181	4.7
111.08077	1.8
112.02155	0.7
112.03965	0.8
113.03479	1.5
114.03792	1.3
115.05468	1.3
116.01689	16.1
117.07026	2.9
118.06517	0.6
119.08582	6.6
120.08117	2.2
121.10144	7.0
123.11734	1.1
129.07106	3.6
130.05016	10.7
131.04504	2.1
131.08575	5.7
133.06505	1.1
133.10121	4.3
135.11694	3.1
137.09608	1.1
141.89740	0.7
142.03214	8.8
142.07741	0.9
144.01157	9.2
145.06075	1.3
145.10149	2.8
147.08038	1.1
147.11743	4.1
149.09625	2.1
149.13228	2.3
155.08229	0.6
157.10129	3.3
159.11707	2.1
161.13220	1.5
162.02213	27.7
163.14766	1.0
165.12842	0.8
170.02754	3.3
173.13268	0.9
175.11189	3.2
175.14908	1.0
177.03314	6.4
179.04868	50.4
181.06163	1.2
183.14854	1.1
185.03853	1.2
187.05396	2.9
187.14841	0.9
189.11276	0.9
193.12251	7.2
215.04822	2.1
216.03200	0.8
231.04324	0.9
233.05917	15.2
243.21124	1.4
245.05939	1.8
249.14943	1.2
261.22186	5.6
267.15930	25.2
290.07904	1.1
291.06415	1.4
306.07455	1.6
308.09122	100.0
309.09338	1.0
335.25827	20.8
435.32700	0.9
453.33740	1.5
470.14725	1.1
471.35400	0.7
527.37415	11.1
545.38385	6.0
705.41235	0.9
834.45349	2.0
852.31879	0.8
852.47223	4.0
875.66803	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1038.3458
Annotation	Unknow
Peak:m/z	Relative Intensity
72.08119	0.2
73.02913	0.3
79.05482	0.3
81.02996	0.2
81.03426	2.3
81.07066	0.1
83.04955	0.1
85.02909	4.1
87.00833	1.6
91.05489	1.1
95.04955	0.3
97.02898	2.6
99.04465	0.7
103.05463	0.5
105.01881	1.0
105.03393	0.5
105.07027	0.6
107.04960	0.9
107.05594	0.1
108.04483	0.3
108.25377	0.1
109.02885	2.8
111.04427	0.5
113.02318	0.2
115.05456	1.0
116.06236	0.5
117.07011	0.6
119.04935	0.2
119.08517	0.1
121.06491	0.2
123.04458	0.2
124.05273	0.1
126.05535	0.2
127.03927	4.1
128.06226	1.8
129.01845	0.3
129.07018	3.5
130.07855	0.2
131.04953	0.9
131.08569	4.2
132.05690	0.3
133.06461	0.7
133.10156	0.2
136.88414	0.1
139.03996	0.2
141.06001	0.2
141.07002	1.7
142.07747	0.5
143.08566	1.0
144.05707	1.8
145.04958	1.3
145.06471	1.4
145.10123	0.2
146.07253	0.7
147.02844	0.2
147.04416	0.4
147.07979	0.1
151.03848	0.2
152.06168	0.1
153.05745	0.1
153.07007	0.6
155.06041	0.4
155.08363	0.1
156.05664	0.5
157.06499	2.4
158.07294	0.8
159.02872	0.9
159.04224	0.2
159.08063	7.8
160.05225	0.2
160.08630	0.1
161.05980	0.6
161.09628	1.9
163.30951	0.1
167.04842	0.2
167.07050	2.1
169.06467	0.5
169.07654	0.6
170.07278	1.7
171.08060	1.7
172.05203	0.6
173.05997	1.0
173.09634	0.6
174.06725	0.4
175.07526	0.5
177.05484	0.3
178.06277	0.3
181.08601	0.2
181.10045	0.1
184.05209	0.3
185.05968	0.3
186.06618	0.2
187.07559	6.3
188.08215	0.4
189.05431	0.5
189.09108	2.7
190.06223	0.4
191.06960	0.4
192.07852	0.4
193.08557	0.5
198.06824	0.6
199.07526	1.0
201.05461	0.4
201.09103	1.1
203.06975	1.2
203.10770	0.1
204.07832	3.8
205.08575	0.9
206.09392	0.3
213.03957	0.4
216.07806	1.1
217.08646	0.6
218.09378	0.5
219.10170	0.9
221.08115	0.5
221.11708	1.0
231.05051	1.3
231.10155	2.5
233.11732	9.1
234.08936	0.4
234.12102	0.2
247.09740	0.2
248.07750	0.3
249.11227	100.0
250.11581	2.6
273.05991	0.4
287.05420	0.3
291.12244	0.3
330.11121	0.1
353.14063	0.2
381.13693	0.2
383.15042	0.1
385.16443	0.5
403.17343	0.2
461.14618	0.5
479.15784	0.4
489.50452	0.1
493.18613	0.2
497.16501	2.9
642.98157	0.1
782.70691	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	103.0548
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01601	0.7
51.02388	4.5
53.03952	30.5
55.01868	2.2
56.96559	2.7
57.03424	1.2
58.06602	1.7
60.08158	1.8
60.95872	3.6
60.96125	0.7
69.24236	1.5
69.24647	3.7
75.94548	0.6
77.03936	9.1
77.10744	0.6
81.03431	2.7
85.02920	1.5
89.91203	0.5
95.04488	0.5
95.04977	26.9
102.04708	5.0
102.96873	2.6
103.03999	2.4
103.05479	100.0
104.05797	0.9
104.10757	3.4
105.04530	14.4
108.88857	0.5
120.97917	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1032.5306
Annotation	Unknow
Peak:m/z	Relative Intensity
72.08164	2.4
74.00656	1.6
76.02234	46.9
76.03989	3.1
79.05498	16.5
80.05012	1.7
81.03425	25.4
81.07064	18.7
83.04973	2.4
83.06093	2.3
83.08625	6.0
84.04049	1.3
84.04516	13.6
84.08147	0.9
85.02901	1.2
85.04035	7.5
85.06550	0.9
86.09718	4.0
86.99047	2.1
88.02185	1.5
91.05487	15.4
92.01701	2.2
93.06485	1.1
93.07050	15.7
95.04449	1.1
95.04980	10.2
95.08611	13.2
97.01138	0.9
97.02892	2.4
97.06477	0.9
97.10146	0.9
98.20792	1.5
99.05602	1.2
103.05517	1.0
104.10751	1.6
105.07027	9.9
107.04942	1.9
107.08627	7.2
109.06512	1.0
109.10165	4.7
111.02612	1.1
111.08096	2.5
112.03958	2.4
113.03513	1.7
116.01689	14.0
117.07029	2.0
119.08594	7.9
120.08109	2.9
121.10151	7.8
123.08064	0.9
123.11693	1.6
125.09595	0.9
126.05576	1.0
129.06950	3.1
130.05008	11.8
131.04536	4.4
131.08574	6.4
133.10159	6.2
135.11714	3.0
138.25833	0.8
141.04842	1.3
142.03236	7.3
144.01152	6.9
145.06123	3.7
145.10158	2.9
147.08031	1.1
147.11702	5.8
149.03818	1.0
149.09650	1.8
149.13290	1.9
155.08278	0.9
157.10104	4.1
159.11659	2.3
160.00644	1.5
162.02217	27.1
169.10037	1.0
170.02708	2.9
171.11548	0.9
173.13324	1.5
175.11198	3.7
177.03302	14.8
179.04868	48.3
184.07362	0.9
185.03851	3.1
187.05403	2.2
193.12277	8.6
215.04852	1.7
216.03352	1.0
227.12683	1.4
231.04443	1.6
233.05917	15.1
243.21045	1.6
245.05862	2.7
249.15125	1.0
250.12604	2.4
261.22263	6.0
267.15952	26.5
268.13617	1.2
274.22253	0.9
285.22253	0.8
288.06519	1.7
290.08057	1.0
291.06433	1.2
301.25616	1.1
306.07748	1.0
308.09137	100.0
309.09409	2.0
335.25790	27.9
527.37396	14.3
545.38306	7.8
656.41290	1.1
705.41632	4.5
723.42487	1.3
759.41766	1.5
816.44171	1.4
834.44977	3.5
852.46527	6.4
853.45465	1.2
951.40265	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	101.009
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96573	7.8
58.95429	7.3
58.96162	2.4
59.95507	54.0
59.96161	2.0
60.95150	20.1
60.95846	3.5
67.51063	1.2
70.29040	3.7
82.01443	1.5
82.99848	7.7
83.01497	10.6
84.01209	2.5
98.21521	1.6
98.97555	1.5
100.43156	1.3
100.97223	2.4
100.98064	2.3
101.00895	54.0
101.02564	17.0
102.02223	3.8
104.71428	1.2
110.97601	1.4
118.99158	4.7
119.01933	100.0
119.03651	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	102.0097
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	4.0
53.29720	0.8
55.01873	1.4
56.05033	1.7
56.96571	57.1
57.03427	1.2
58.50550	7.4
59.96192	4.2
60.04540	1.1
60.95858	99.3
60.99619	7.7
65.52184	1.6
67.51077	13.8
68.02657	1.1
70.01343	4.3
70.38375	1.0
71.03006	1.3
71.95264	1.4
74.02440	3.1
74.06077	2.8
74.94871	1.2
75.94551	2.1
76.51593	3.6
78.52977	1.5
79.00658	2.6
79.01869	16.6
79.51102	0.8
81.03416	2.9
82.01463	6.2
84.01209	52.8
84.04504	1.6
84.08135	1.8
84.99687	0.8
85.02901	2.5
85.53735	3.4
87.16088	0.8
88.02361	5.4
88.51642	2.8
95.00770	1.1
99.53452	0.8
100.02489	10.6
100.05061	1.0
101.00928	1.4
101.02557	1.3
101.95052	3.1
101.97213	3.3
102.00974	19.3
102.02245	100.0
102.02817	3.7
102.05563	1.9
102.09173	2.0
102.96870	5.2
103.00638	2.9
118.03522	2.9
119.00645	0.9
119.01987	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	103.0548
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01606	0.6
51.02384	4.4
51.30009	0.3
53.03952	31.2
54.04311	0.4
55.01866	1.4
58.06600	2.2
58.24270	0.4
66.88860	0.4
68.99813	0.4
70.74461	0.4
70.74812	1.0
70.76498	0.4
75.70756	0.4
77.03530	0.7
77.03939	8.6
81.03420	2.9
95.04977	26.9
96.05346	0.4
102.04703	4.7
103.05477	100.0
104.05801	0.8
104.10760	0.4
105.04524	14.8
117.14263	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	101.0089
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03112	1.8
56.96576	10.4
58.96159	7.7
60.95845	5.4
68.39005	2.2
71.27509	2.3
71.27851	2.6
71.95263	2.3
82.99847	6.7
83.01510	18.0
84.01221	3.1
100.97177	3.9
101.00889	67.4
101.02551	27.8
102.02250	4.3
102.73415	1.9
119.01929	100.0
119.03613	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	998.569
Annotation	Unknow
Peak:m/z	Relative Intensity
69.45002	37.1
70.09791	100.0
70.73772	35.2
116.74313	39.0
119.13583	37.5
127.17122	38.8
130.70435	38.1
152.99660	42.2
277.21738	60.5
278.22321	43.5
339.20865	42.8
380.46970	41.9
528.37152	45.1
744.35840	43.3
787.84930	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	998.569
Annotation	Unknow
Peak:m/z	Relative Intensity
69.94964	100.0
71.25529	25.5
94.44324	19.4
95.91075	22.4
108.99008	20.8
117.31834	19.6
207.91916	19.7
277.32336	21.0
278.10510	22.4
299.64999	20.2
401.85052	20.4
413.11218	21.2
630.50269	24.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	997.4288
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03440	1.9
69.48458	8.8
71.01385	48.5
72.99306	5.7
73.02950	17.5
75.00883	3.6
83.01385	14.0
85.02958	26.1
87.00874	7.8
89.02444	17.4
93.03458	2.1
95.01397	6.0
97.02970	3.0
99.00856	6.7
101.02444	57.4
104.99143	1.4
105.10067	1.4
111.00869	2.3
113.02451	22.4
119.03490	6.1
119.05034	20.4
120.05337	3.7
125.02433	6.1
135.03032	2.4
135.04483	2.4
137.02505	1.7
143.03494	5.9
147.04471	2.4
150.03209	2.5
159.03003	2.8
161.04591	11.6
163.04031	7.7
165.05544	3.1
175.03986	1.4
179.05569	7.5
180.04237	1.4
181.05025	1.9
187.32831	1.4
203.03558	3.1
203.05403	1.4
211.02448	1.4
218.05856	1.8
221.09734	2.7
222.10101	2.6
223.11191	2.7
227.16489	1.8
233.08101	2.3
237.09065	1.8
255.02838	2.4
269.17426	1.7
281.08090	1.6
283.09467	1.8
284.03293	1.7
285.03992	2.3
299.01987	2.0
311.09280	11.2
312.09888	3.0
326.11627	4.8
327.12183	1.7
341.13983	7.2
371.20700	33.4
372.21060	2.2
376.10043	1.5
389.21793	100.0
390.22141	5.6
414.64551	1.5
417.08365	2.1
431.22845	98.5
432.23221	9.2
473.14764	11.6
474.14771	12.8
475.14954	10.5
508.13449	1.7
759.52246	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	995.6105
Annotation	Unknow
Peak:m/z	Relative Intensity
71.55739	0.3
78.95900	8.1
140.01192	2.0
152.99631	1.2
156.58995	0.2
171.00630	0.4
196.03828	1.0
214.04880	2.5
261.22125	0.4
271.72873	0.2
279.23264	100.0
280.23587	5.8
338.28015	0.2
476.27798	46.7
477.28128	3.9
698.76575	0.3
730.62195	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	997.2456
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01376	3.9
72.99322	0.9
73.02966	0.6
78.14268	0.5
83.01375	1.2
85.02960	3.3
87.00865	1.2
89.25224	0.5
93.03483	1.1
95.01396	0.8
98.20632	1.9
99.00892	2.2
107.01393	3.6
109.02930	1.1
113.02435	3.7
117.01954	0.7
121.02958	19.4
125.02434	0.8
135.00923	0.5
148.01651	0.9
149.02440	0.9
150.99181	1.0
151.00366	17.6
163.00366	1.5
164.01234	0.8
169.01460	1.0
171.48550	0.5
175.04041	0.6
178.99870	9.0
199.04066	0.9
226.02701	0.7
227.03468	1.9
231.05054	1.5
243.02975	4.1
249.06155	10.8
254.02209	1.0
255.02982	12.4
256.03525	0.8
271.02469	32.5
272.03064	2.9
273.03812	0.7
283.02603	1.0
299.01953	17.7
300.02734	68.2
301.03503	66.4
302.03720	3.7
316.02045	1.2
343.04358	0.6
371.09818	27.2
372.10092	2.3
373.10410	0.6
463.08810	100.0
464.09158	8.3
479.08600	0.6
604.05914	0.6
625.14075	47.5
626.14490	5.5
769.43713	0.7
804.06519	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	995.3561
Annotation	Unknow
Peak:m/z	Relative Intensity
70.49165	0.2
71.01384	2.6
71.55460	0.2
71.55848	0.2
72.99306	0.4
73.02937	0.8
83.01404	0.4
85.02940	0.8
87.00883	0.5
89.02440	0.9
93.03460	10.4
95.01418	0.3
96.99320	2.0
101.02463	1.8
113.02448	0.8
115.00368	0.8
115.05547	1.0
117.03451	0.9
119.03641	0.3
119.05030	8.8
120.05348	0.4
121.02949	0.4
125.02419	0.2
130.04254	2.4
131.05046	2.3
132.05788	1.7
134.03746	0.4
135.04518	0.3
143.05017	3.5
143.92648	0.3
145.02965	0.3
145.06584	0.8
147.04524	2.5
150.03281	1.2
158.03731	0.9
160.93677	0.2
161.04538	0.4
162.01730	0.2
162.03104	0.2
163.04021	3.5
165.05563	0.6
176.04755	0.4
177.05664	0.3
180.04202	0.2
187.03989	0.4
195.08148	17.8
196.08441	1.1
202.02686	0.8
206.07326	0.6
207.08133	2.0
211.07719	0.3
217.14519	0.2
219.08116	2.9
221.09709	26.5
222.10077	1.5
223.11284	13.8
223.13034	0.2
224.11609	0.7
230.07289	0.2
231.08083	0.5
234.06830	0.8
237.09178	1.4
247.07658	0.9
248.08411	2.7
249.09190	12.8
250.09529	0.9
267.10315	0.8
284.03220	0.4
292.07394	1.9
293.08041	2.3
294.08621	0.3
301.03699	0.3
311.09323	2.2
341.10281	0.3
356.82999	0.2
400.58026	0.3
417.08261	0.4
429.21667	0.5
432.19855	0.3
455.13452	0.8
473.14511	100.0
474.14890	9.3
474.19748	0.2
474.21719	0.3
475.14874	0.7
491.15189	0.3
599.25146	0.3
635.15887	0.4
646.93024	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	993.3242
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03457	2.5
69.50170	7.7
71.01378	81.5
72.99298	4.4
73.02942	77.0
73.03539	1.3
74.03279	1.4
75.00874	2.8
82.55611	0.9
83.01381	28.0
85.02947	17.2
87.00864	4.3
88.65935	1.0
89.02441	39.7
93.03446	4.5
95.01400	6.5
97.02966	2.7
99.00861	2.5
101.02438	94.9
113.02446	48.2
113.03259	1.8
119.03495	18.6
119.05008	1.7
121.02960	6.9
122.03745	12.9
125.02457	3.0
131.03506	11.4
132.02103	1.3
133.02922	1.4
136.01625	5.4
137.02438	1.2
143.03484	13.7
146.03691	1.4
149.02454	22.7
149.04526	17.1
150.03220	91.1
151.00349	3.2
151.03999	6.6
155.03452	2.6
160.01678	2.1
161.02495	1.4
161.04550	31.1
162.03215	2.5
162.04776	1.1
163.04031	2.0
164.04749	4.4
165.05557	100.0
166.02759	5.2
166.05901	2.6
177.05527	3.0
179.05653	10.3
179.07056	2.4
180.04353	5.5
181.05008	5.7
195.06609	71.1
196.06917	2.4
203.05479	2.4
203.07195	1.5
221.06558	6.9
251.07076	1.3
255.02893	2.9
267.06671	1.2
268.07367	4.6
271.02600	2.3
279.06454	1.8
280.07370	3.1
283.09494	2.3
284.03116	3.5
293.08350	1.7
296.06961	2.6
300.02652	5.4
301.03525	4.0
308.06802	4.3
309.07669	5.4
311.09335	8.8
312.09717	1.3
321.07681	1.8
322.08246	2.8
323.09174	9.5
324.06375	3.9
324.09949	3.8
338.11502	4.5
339.08704	34.1
339.12274	2.2
340.09061	3.1
353.10181	1.6
354.11060	18.6
355.11450	4.0
357.13434	1.8
369.13385	79.7
370.13663	7.2
387.14560	12.1
388.14288	1.3
447.09402	9.1
473.14462	4.3
517.18701	12.5
518.18671	1.6
535.19568	2.1
563.13983	3.5
565.20612	4.0
583.21851	28.7
584.22137	3.9
689.55328	1.3
721.31421	1.2
727.26074	5.3
728.26935	1.2
745.27087	11.0
746.27380	2.1
787.28094	40.8
788.28040	7.5
830.34430	1.2
993.41797	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	983.6458
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01395	0.1
78.24181	0.1
81.93208	0.1
97.06590	0.3
123.08165	0.2
133.81784	0.1
137.09735	0.2
168.81854	0.1
253.09410	0.1
277.21680	0.7
339.26752	0.2
353.28491	0.6
369.27899	1.1
370.28442	0.1
379.30255	0.1
381.27856	0.1
391.25955	0.4
393.28275	0.1
405.31863	0.2
407.29306	0.6
421.31540	0.2
423.26712	0.1
423.32675	3.0
424.32944	0.4
439.28528	0.4
451.31967	0.3
461.71716	0.1
469.33194	100.0
470.33542	12.0
611.47284	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	984.5535
Annotation	Unknow
Peak:m/z	Relative Intensity
74.17685	54.4
86.64170	57.3
98.20752	100.0
106.86518	56.2
131.91724	57.6
148.65955	53.4
176.58995	51.6
176.60703	53.4
184.09308	52.0
185.40800	52.8
230.39998	67.8
264.50259	53.0
925.09131	61.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	987.2987
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01385	1.4
71.05010	2.6
72.99307	0.7
78.06550	0.1
78.36837	0.2
83.04974	0.2
87.04525	1.8
98.20688	0.2
99.04517	11.6
99.08161	3.8
100.04848	0.2
103.00373	5.3
103.12695	0.1
115.04018	7.5
115.07668	1.1
116.77560	0.2
117.05580	5.2
119.05020	0.3
135.02979	0.5
143.07137	3.7
161.08191	100.0
162.08543	2.6
163.03963	0.3
203.09247	19.0
204.05145	0.2
204.09639	0.6
227.03537	0.5
238.43872	0.2
246.11511	0.2
247.08228	1.1
248.36632	0.2
255.03056	1.8
257.04727	0.2
283.02466	3.0
284.03201	1.7
285.04053	1.0
327.08875	0.3
430.09048	0.5
593.15112	2.5
594.15686	0.4
739.21033	2.5
740.21136	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	989.2931
Annotation	Unknow
Peak:m/z	Relative Intensity
69.32679	1.7
71.01382	0.4
72.99303	0.3
73.71458	0.3
83.01412	0.2
87.00868	0.4
93.03458	0.6
105.82044	0.2
109.02997	0.3
121.02954	100.0
122.03269	2.1
126.24210	0.2
127.00367	0.5
129.01917	0.3
137.02435	0.8
139.00359	0.3
147.04510	1.2
148.04985	0.2
152.01241	0.2
165.05591	0.3
166.02718	0.3
187.04056	0.4
205.04964	0.5
207.11601	0.2
211.02391	0.4
233.09683	0.3
251.10617	0.3
295.09698	4.4
296.10172	0.5
317.24472	0.2
327.78378	0.2
340.36642	0.2
341.10306	1.9
356.12576	2.0
371.15024	3.6
453.12042	0.3
474.04129	0.3
493.18668	60.3
494.12048	0.5
494.19009	6.3
507.13159	0.2
565.13220	0.3
637.23041	2.5
679.23999	2.0
680.24731	0.3
684.86072	0.2
697.25037	0.6
738.09882	0.2
791.76862	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	991.5795
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01360	0.4
71.55179	0.3
77.01279	0.2
78.95905	16.3
83.05047	0.3
89.73193	0.2
96.96950	0.6
100.94146	0.2
122.00109	0.3
140.01183	2.6
152.99593	2.3
167.00926	0.2
171.00624	1.9
196.03737	1.2
214.04875	3.3
233.22685	0.3
242.83723	0.3
259.20673	0.8
275.20120	0.5
277.21716	100.0
278.22076	5.8
457.17331	0.3
473.36069	0.7
474.26254	58.8
475.26602	4.6
502.28940	0.3
861.44159	0.3
862.11993	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	993.3246
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03454	2.7
69.25587	8.7
69.26016	8.8
71.01384	100.0
72.99306	5.8
73.02945	85.8
75.00861	3.4
83.01389	33.0
85.02948	21.6
87.00872	6.0
89.02445	51.6
89.03000	2.7
93.03474	2.6
95.01407	7.3
97.02988	2.7
101.02445	97.9
101.10633	1.9
102.02792	2.2
113.02444	49.3
119.03510	31.2
121.02950	5.6
122.03758	9.4
125.02446	2.8
131.03519	12.7
136.01694	4.0
137.02469	2.1
143.03513	17.0
147.41647	2.1
149.02440	24.7
149.04562	16.6
150.03218	79.2
151.03770	2.9
155.03473	2.8
158.03436	1.8
160.01622	2.1
161.04555	33.1
164.04753	5.7
165.04166	4.1
165.05560	65.4
165.06902	4.3
166.05949	2.0
177.05637	2.7
179.05602	17.9
180.04314	4.2
181.04967	2.9
190.42018	1.9
195.06610	47.2
195.50848	2.0
203.05580	2.4
207.57539	2.1
219.72516	2.5
221.06631	5.5
227.03520	2.9
239.10658	5.7
250.08481	2.4
251.07185	2.1
268.07422	2.9
280.07352	2.4
283.09717	3.1
296.06924	2.7
308.06900	8.0
309.07886	3.9
311.09167	6.7
323.09274	10.4
324.06424	4.4
324.09860	5.0
338.11526	5.0
339.08685	37.2
339.12497	4.2
340.09360	4.8
341.53931	2.3
354.11081	23.1
355.11520	3.7
369.13382	69.8
370.13766	9.3
387.14474	4.9
447.09183	6.0
489.14468	4.2
502.16855	2.6
517.18616	21.6
535.19794	2.3
551.40790	2.1
565.20264	3.4
583.21356	11.4
679.24176	3.6
727.25604	8.2
739.00018	2.4
739.25909	3.2
745.27014	19.2
746.28076	3.6
787.28131	76.9
788.28821	15.5
815.96863	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	981.2518
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01388	0.8
74.50980	0.3
75.00875	0.7
83.01376	0.5
85.02969	0.9
95.01398	0.4
99.00889	0.3
103.39167	0.4
107.01427	0.5
109.02952	0.6
112.41703	0.3
113.02474	0.6
121.02948	3.1
134.03680	0.3
135.00951	0.3
146.03824	0.4
151.00359	4.1
159.04462	0.4
163.00404	0.6
165.05618	0.4
167.04964	0.3
171.04489	0.4
174.85982	0.3
175.04036	0.4
178.99905	0.7
179.07025	0.3
189.67194	0.3
199.04024	1.2
203.03481	0.5
211.04022	0.6
215.03453	0.8
226.02771	0.5
227.03519	1.3
229.05095	0.5
229.35271	0.3
231.05063	0.4
243.03023	2.2
249.06134	1.8
254.02315	0.3
255.02966	2.2
257.04620	0.4
271.02472	29.6
272.02945	1.8
287.01883	0.5
299.01968	59.1
300.02603	8.0
301.03525	24.1
302.03888	1.2
315.01453	1.0
317.02979	0.3
343.04379	0.4
371.09787	5.8
375.92297	0.4
406.41119	0.3
446.08514	21.4
447.09250	8.8
448.09369	0.4
462.07898	0.4
463.08881	5.4
464.09714	0.4
609.14594	100.0
610.14874	11.9
764.00061	0.3
772.28784	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	981.2873
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03429	1.0
71.01377	9.9
71.55329	0.7
72.24475	0.7
72.99300	3.2
73.02952	1.2
75.00468	1.5
75.00873	21.9
85.02941	2.7
87.00901	0.9
89.01939	0.9
89.02453	12.4
95.01409	1.4
99.04513	1.7
101.02460	4.7
113.02444	3.2
117.01948	1.9
119.03498	2.6
119.05000	1.3
135.03003	72.9
136.03297	1.5
150.03195	2.4
152.13828	0.7
161.13301	5.2
165.01910	1.5
165.05511	2.8
179.03461	1.3
179.05589	1.8
180.04187	1.2
181.04987	1.1
187.11328	1.4
195.06599	2.6
195.62199	0.8
205.12335	7.2
210.05305	1.0
249.11273	3.4
255.03111	1.9
270.24551	0.8
271.02402	1.5
284.03195	1.5
300.02637	2.5
387.14212	0.9
424.77081	0.9
429.17487	2.4
433.07620	4.6
447.09525	1.2
547.20294	100.0
548.20667	10.1
567.21265	1.1
613.22833	1.2
614.23590	1.6
615.23193	1.6
715.34827	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	977.3867
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03427	2.3
69.92268	4.9
71.01382	32.4
72.99306	9.1
73.02965	1.6
74.17766	1.4
74.18951	1.2
75.00875	23.9
83.01384	3.5
85.02962	9.9
87.00885	6.6
89.02446	28.2
93.03440	2.3
95.01389	4.0
96.95993	1.5
97.02938	1.6
97.06583	1.1
99.00819	3.0
99.04525	32.6
101.02431	16.2
105.01924	2.8
109.02948	1.4
111.04500	3.7
113.02455	11.5
117.01933	2.0
118.99529	1.2
119.03524	6.5
119.04988	2.0
125.02473	2.1
125.06080	1.3
127.00379	1.9
135.02998	52.4
135.04539	2.9
139.00339	1.8
147.04466	2.0
149.02429	1.3
150.03291	1.8
151.04034	1.4
161.13364	7.9
163.04001	2.9
165.05545	1.9
178.06393	1.5
179.05649	1.2
179.07124	1.5
205.12309	13.8
249.11281	5.5
255.21234	2.0
261.11179	1.6
295.09747	4.7
311.09204	3.9
323.27289	2.5
349.25320	5.1
367.26312	13.7
368.26932	1.4
369.24442	1.5
373.25479	1.9
393.24255	3.3
411.25327	5.0
429.17703	4.1
437.23135	2.1
455.24619	2.7
481.22089	2.0
499.23251	2.9
547.20300	33.5
548.20734	3.1
573.47937	1.3
635.30664	1.5
661.28845	5.8
679.29718	13.3
797.32440	16.9
798.32916	3.4
815.34540	2.4
841.34979	6.1
859.36102	36.9
860.36041	7.2
977.38660	100.0
978.38861	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	981.2517
Annotation	Unknow
Peak:m/z	Relative Intensity
69.90842	0.6
69.91238	0.6
71.01377	0.8
83.01409	0.6
85.02962	0.5
107.01397	0.9
108.02132	0.5
109.02931	0.4
113.02432	0.5
114.30695	0.3
120.25072	0.3
121.02978	0.6
135.00893	0.7
135.04546	0.4
139.89066	0.3
145.37102	0.3
148.01683	0.7
151.00372	4.4
152.01122	0.3
153.86122	0.3
163.00349	0.7
164.01155	0.4
174.03033	0.3
178.99858	2.4
187.03958	0.3
193.05074	0.4
199.04124	0.5
215.03398	0.4
216.04347	0.5
226.02689	1.3
227.03601	1.7
243.02960	6.3
244.03499	0.5
254.02235	1.3
255.02965	20.0
256.03366	1.0
267.07217	0.8
271.02463	42.2
272.02921	3.3
273.03680	0.5
299.02032	1.4
300.02731	84.1
301.03314	11.0
302.03885	0.5
325.89371	0.3
385.11490	1.2
386.11285	0.3
463.08936	0.3
595.13000	100.0
596.13293	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	976.5848
Annotation	Unknow
Peak:m/z	Relative Intensity
68.69409	84.5
124.12324	100.0
142.82594	90.3
263.68015	98.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	977.3878
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03453	2.4
69.52764	5.2
69.53188	4.2
71.01386	40.0
71.72688	1.1
72.99323	7.5
73.02943	2.8
75.00454	2.4
75.00870	25.1
83.01369	3.6
85.02943	10.6
87.00880	5.7
89.01923	2.6
89.02445	32.4
89.02996	1.7
93.03421	5.2
95.01359	2.3
97.02971	1.9
99.00898	1.4
99.03907	2.0
99.04523	25.7
101.02447	20.5
108.26122	1.3
111.04555	2.8
113.02452	12.6
117.01931	2.7
119.03490	9.8
119.05046	5.1
131.03502	1.8
135.01999	2.3
135.02998	43.5
143.05022	1.8
147.04561	2.2
161.13356	12.3
163.04012	2.5
179.05569	2.0
187.11223	2.9
195.08150	6.5
205.12331	23.6
220.15996	1.4
221.09715	9.9
221.91425	1.4
222.10172	1.3
223.11215	5.3
249.09074	4.0
249.11324	11.5
267.10062	1.5
311.09241	3.1
349.25394	2.6
367.26340	5.5
384.38986	1.3
399.10721	1.5
411.25345	3.3
429.17682	5.7
431.23068	2.2
455.24188	3.9
473.14478	35.5
474.14807	6.3
499.23477	4.2
503.15732	6.7
504.15268	1.5
547.20325	35.8
548.20282	2.3
598.06201	1.7
635.29926	1.8
651.66901	1.3
661.29034	2.3
679.29736	21.2
680.29932	2.6
777.09558	1.4
797.32349	12.0
798.32800	2.1
841.35760	3.4
859.36035	38.3
860.36823	7.5
977.38757	100.0
978.39136	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	971.5501
Annotation	Unknow
Peak:m/z	Relative Intensity
69.39833	10.1
69.40247	28.6
71.01378	10.1
89.02440	11.3
101.02448	10.3
113.02426	9.7
119.03510	6.5
124.60093	5.1
139.61707	5.8
172.32457	5.9
190.80473	5.3
235.08289	8.9
271.59760	5.6
277.21689	100.0
379.12595	12.9
397.13489	42.0
415.14453	7.9
503.41672	5.8
657.34753	6.9
971.54919	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	973.6108
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01369	21.1
71.54046	6.2
83.37975	4.1
85.02974	6.2
87.00864	6.0
89.02457	20.4
90.58601	4.1
97.02976	5.5
101.02466	20.7
113.02456	9.5
119.03477	7.4
125.02415	7.4
133.23015	3.8
138.67464	4.4
161.04536	6.1
162.38522	4.0
179.05617	7.9
234.63377	4.4
235.08279	12.4
255.23283	100.0
256.23447	5.5
277.21695	79.3
278.22012	7.1
379.12274	22.1
385.47275	5.3
397.13452	59.3
398.13965	4.4
415.14557	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	971.5505
Annotation	Unknow
Peak:m/z	Relative Intensity
70.08567	9.0
70.60804	9.3
70.99800	10.9
71.00140	22.2
71.01394	13.3
76.12432	12.2
86.73579	9.7
170.81845	9.4
233.33966	10.7
235.08160	13.2
253.76549	10.1
269.72369	9.4
277.21683	100.0
314.90335	11.7
397.13510	36.8
528.04132	10.5
585.28668	11.2
745.20929	10.6
824.95404	11.6
971.55206	19.7
1009.12701	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	971.3552
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03449	0.8
69.88647	2.7
71.01392	2.1
72.99312	13.0
75.00874	4.5
75.87310	0.5
78.25420	0.5
87.00898	1.8
89.02489	0.5
93.03454	5.8
94.89642	0.5
95.01410	0.8
95.05032	0.5
96.95981	0.5
99.00901	0.5
101.02488	0.9
105.01928	0.9
105.03443	0.7
107.05008	0.7
107.13173	0.5
108.02196	1.3
109.02974	2.0
115.98613	0.5
117.01952	1.5
119.05048	1.0
121.02965	8.2
122.03745	16.5
122.04633	0.8
123.00896	0.7
123.04514	1.6
124.01644	0.7
125.02419	0.9
127.62420	0.5
131.05048	0.5
132.02167	1.2
133.02924	2.3
134.03767	3.0
135.03004	17.1
135.04572	1.7
136.01666	7.4
137.02463	6.9
138.03317	0.5
139.00386	0.9
145.02995	1.4
146.03760	2.6
147.04495	1.9
148.01654	0.6
149.02444	32.2
149.06058	3.4
150.03224	100.0
151.00410	2.6
151.04025	14.3
152.04710	0.9
153.01970	0.8
153.05493	0.5
161.02428	1.2
161.06064	1.3
162.03247	0.9
163.04028	1.0
164.04797	7.6
165.05565	84.1
166.02721	7.9
166.05878	3.5
167.03419	1.1
175.03967	0.9
176.01163	0.6
177.01881	0.9
177.05515	2.9
178.02657	1.2
179.03499	1.3
179.07138	7.3
180.04283	5.8
181.05057	11.3
184.03780	1.2
187.04031	1.3
190.06277	0.6
191.01967	1.9
191.03493	0.8
193.05049	0.9
195.06618	35.9
196.06979	1.2
205.05067	3.4
207.06606	0.8
209.55206	0.5
211.02522	0.6
219.06577	1.1
220.07365	1.9
279.03516	2.1
282.05267	0.9
295.09662	1.9
311.09210	2.0
315.08606	1.2
329.10349	1.7
339.05606	8.8
340.06119	0.7
369.13599	0.5
371.10999	0.8
387.10358	1.2
387.14578	1.3
402.13055	1.6
403.13940	1.2
416.14670	1.3
417.15500	7.9
441.29822	0.6
492.19919	0.5
503.29907	1.1
520.17157	0.6
535.15900	0.8
546.61896	0.6
549.17737	0.9
550.18610	0.7
551.19684	0.9
563.19354	0.9
564.19928	1.8
565.20795	19.2
566.21045	2.9
594.20233	0.6
595.21649	2.9
612.22009	1.3
613.22870	9.6
614.22913	1.4
619.21417	1.5
667.23297	1.5
713.25922	13.6
714.26294	2.5
725.24738	0.5
743.26984	7.7
744.26788	1.4
761.28156	13.4
762.27795	2.5
773.28082	2.3
791.29260	5.1
792.28589	1.0
809.30225	17.1
810.30420	4.1
904.23987	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	971.3559
Annotation	Unknow
Peak:m/z	Relative Intensity
69.33237	3.8
71.01398	1.1
72.99309	11.3
73.02960	0.9
75.00879	4.4
87.00872	2.2
89.02460	0.8
93.03462	5.0
94.03823	0.4
95.01416	0.9
95.05040	0.9
97.02941	0.5
97.58685	0.4
99.00881	1.1
101.02446	0.5
105.01928	0.7
105.03446	0.6
107.05046	0.7
108.02202	1.0
109.02955	3.1
113.02454	0.7
117.01959	1.3
119.05060	1.0
121.02953	8.0
121.03760	0.6
122.03750	16.1
123.00897	0.8
123.04585	1.9
124.01707	0.9
125.02464	0.8
127.00428	0.5
129.01982	0.5
132.02179	1.2
133.02969	2.8
134.03738	4.2
135.02998	18.8
135.04591	1.3
136.01659	6.1
137.02458	6.5
138.03215	0.5
139.00415	0.9
141.85510	0.5
145.02951	0.8
146.03737	1.8
147.04543	1.8
149.02440	29.6
149.06088	3.7
149.51590	0.4
150.03227	100.0
151.00322	2.6
151.04021	15.5
152.01154	1.2
152.04701	1.3
153.01981	0.9
153.05588	0.6
161.02467	1.4
161.06052	0.8
162.03249	1.6
163.04039	1.5
164.04788	7.1
165.05566	84.9
166.02719	7.5
166.05858	2.8
167.03461	1.2
175.02521	0.5
175.04024	1.4
176.04771	0.6
177.01836	0.7
177.05539	3.5
178.02722	0.5
179.03503	1.2
179.07150	7.1
180.04274	5.5
181.05060	10.8
184.03819	0.6
185.06076	0.5
187.03976	1.1
190.06348	0.7
191.01990	2.2
191.03534	0.8
193.05014	1.3
195.06619	36.6
196.07021	0.9
204.04257	0.5
205.05066	2.8
207.06612	0.8
211.02434	0.6
219.06633	1.5
220.07405	2.7
221.07928	0.6
266.05838	0.5
279.03464	1.5
281.04895	0.7
282.05173	0.6
295.09695	1.8
297.10229	0.5
311.09143	2.5
313.10608	0.4
314.07980	0.5
315.08838	0.8
321.04810	0.6
329.10135	1.5
339.05597	9.0
340.05914	0.9
341.10309	0.5
359.11569	0.4
362.23593	0.5
368.54538	0.4
371.11047	0.5
386.13776	0.4
387.10202	0.8
387.15125	2.0
388.11343	0.5
402.12967	0.7
403.13623	0.6
416.14725	0.9
417.15579	7.9
418.15735	0.5
469.11456	0.5
471.16290	0.6
503.29932	0.5
521.19189	0.4
535.17023	0.7
549.17468	0.7
550.18372	1.2
551.19019	0.7
564.20233	2.3
565.20776	19.6
566.21356	2.1
595.21912	3.3
607.21887	0.6
612.21814	1.2
613.12848	0.7
613.22852	10.8
614.23199	1.8
619.21570	1.3
667.23578	1.5
676.25452	0.5
690.35040	0.5
713.14154	0.8
713.25922	13.4
714.25989	1.8
725.25983	0.9
743.27100	7.9
744.27411	1.4
761.14575	0.9
761.28156	15.8
762.28436	3.0
773.28375	1.9
791.29321	5.0
792.29517	1.2
809.30225	20.0
810.30450	3.7
942.04724	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	961.5381
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01379	13.4
71.54749	2.1
71.55180	1.6
73.02949	2.0
76.56913	1.5
85.02950	3.4
87.00876	3.7
89.02445	15.1
97.02941	2.6
101.02437	10.7
113.02410	5.5
119.03501	1.7
125.02437	5.7
128.12476	1.8
143.03542	2.7
151.99747	1.4
161.04495	3.7
179.05534	2.7
183.13910	6.4
211.13393	100.0
212.13722	3.9
221.06633	2.2
232.40414	1.4
235.08304	3.8
277.21707	45.9
287.07721	2.6
305.08810	1.9
321.72180	1.3
323.09891	1.6
379.12491	11.3
380.13065	1.6
397.13486	39.5
415.14645	6.5
591.26556	9.6
609.27612	7.8
628.63623	1.7
657.35120	2.3
675.36169	3.0
869.49060	2.8
988.36261	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	965.2574
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01881	0.6
68.99815	1.5
69.03462	1.1
69.22591	2.0
71.01382	8.8
72.99311	2.9
73.02950	0.8
75.00874	9.4
81.03446	0.5
83.01391	0.7
83.05033	0.4
85.02951	11.0
87.00881	3.2
89.02440	2.6
91.04002	0.3
93.03462	1.2
95.01388	3.1
95.01949	0.4
97.02944	0.3
99.00878	6.4
101.02448	0.4
103.00394	1.1
108.02193	0.2
109.02959	0.8
110.31691	0.2
111.00877	1.0
111.04526	0.5
113.02451	13.2
115.00359	1.1
117.01951	1.7
121.02956	49.6
122.03284	1.6
125.02461	1.3
129.01942	1.0
130.43945	0.2
137.02417	0.4
139.00317	0.4
150.03220	0.7
157.01424	0.6
165.05571	0.7
175.02466	1.5
175.03915	0.3
185.06195	0.3
189.04004	0.7
195.06595	0.3
215.03511	0.3
227.03558	0.4
231.05086	3.5
249.06143	36.1
250.06480	1.3
255.02992	4.7
256.03516	0.3
283.02469	9.7
284.03046	1.1
285.04028	16.3
286.04330	0.8
299.05765	0.3
305.06653	0.7
327.05023	0.4
353.08978	1.1
371.09808	100.0
372.10159	7.2
423.07074	0.3
431.09683	0.8
446.08374	1.2
447.09235	1.7
467.09677	0.4
477.19467	0.4
525.21338	0.4
555.22778	0.6
593.15088	12.6
594.15540	1.4
932.93646	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	969.2517
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99813	1.6
69.03453	1.1
71.01381	11.7
72.99310	46.2
73.02945	2.0
75.00874	16.9
83.01374	1.7
85.02946	2.8
87.00879	13.6
89.02441	8.2
96.99329	4.0
97.02936	1.1
99.00888	5.5
101.02467	0.8
103.05539	1.3
105.01925	1.6
111.00884	4.7
113.02439	2.0
114.01220	0.8
115.00368	2.7
115.05551	4.8
117.01943	46.5
119.05028	2.4
123.00844	0.9
125.02464	2.0
127.00384	8.6
129.01947	4.3
131.04968	0.9
135.03000	73.9
136.03296	1.0
137.02425	0.9
139.00366	2.9
141.01900	1.4
147.02896	1.3
147.04530	28.4
148.04767	0.9
154.99831	1.1
157.01416	3.1
169.01398	1.7
173.00917	12.5
175.02440	2.0
181.01334	1.2
191.01939	7.4
199.02449	1.1
200.26395	0.9
205.10217	2.7
207.11780	2.3
211.02440	2.2
229.03520	1.4
233.09695	12.5
234.10037	0.9
251.10786	8.7
252.11354	1.0
261.02576	2.7
263.04062	4.9
277.08789	5.1
293.43863	0.9
295.09747	100.0
296.10147	6.8
303.03653	3.6
305.05029	1.2
311.09470	3.8
321.04623	24.7
329.10489	0.9
335.06177	3.2
353.07193	9.9
395.11240	1.1
413.12451	20.0
414.12714	1.0
453.11880	1.2
455.13034	0.9
462.50766	0.8
465.12726	0.8
469.11285	3.0
541.13239	1.1
571.15442	0.8
599.14099	15.3
600.14392	1.9
613.15631	1.1
631.16937	1.2
641.16370	0.9
683.16302	2.9
701.17218	1.9
829.19818	0.9
869.17688	4.4
887.19287	1.5
897.34406	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	953.3089
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03461	0.9
71.01009	1.1
71.01384	23.4
72.99310	24.2
73.02956	6.8
73.60567	0.7
75.00877	4.4
81.76457	0.6
83.01395	4.6
85.02952	11.1
87.00863	8.1
87.84429	0.7
89.02450	6.5
93.03439	1.7
95.01402	1.6
97.02974	1.1
98.19888	2.7
99.00891	3.6
101.02451	13.7
105.01916	2.8
107.01376	1.1
108.30123	0.6
109.02957	1.8
111.00859	1.8
113.02448	9.2
115.00337	1.1
117.01944	4.4
119.03508	1.9
119.05017	6.2
121.02919	2.1
125.02460	1.6
127.00334	2.8
129.01886	1.2
130.39333	0.7
135.02992	12.5
135.04500	1.3
139.00349	1.8
143.05038	0.8
147.04469	2.8
150.03215	1.2
151.00351	4.2
155.62097	0.7
157.01392	1.3
159.02991	0.9
161.04590	4.4
163.00481	0.8
163.04041	4.5
165.05507	0.9
173.00964	1.0
175.02463	0.9
178.99835	2.5
179.03429	1.1
191.01952	2.2
195.06531	1.0
195.08138	1.8
211.07591	1.6
221.09685	0.9
223.11209	0.9
243.02992	2.1
245.04475	1.2
249.09045	0.9
255.02953	5.3
267.10178	2.0
271.02432	10.3
281.15479	3.7
299.16504	12.6
300.02765	20.8
301.03433	15.6
302.03702	1.8
311.09232	12.8
312.09595	1.6
321.04648	2.9
327.08704	1.7
339.05716	2.5
387.24301	1.1
389.15933	0.9
399.10806	1.3
429.11673	4.1
447.09290	26.3
448.09720	4.3
461.21805	7.4
462.22073	0.9
473.14490	2.0
474.15201	0.9
485.10410	1.1
487.19531	5.8
505.20761	100.0
506.21078	14.1
517.13092	0.9
599.25122	1.3
633.14740	1.4
760.38947	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	958.5222
Annotation	Unknow
Peak:m/z	Relative Intensity
70.20322	85.1
107.70747	81.0
110.90172	78.1
129.19014	86.9
173.47191	90.2
190.90982	88.0
248.31540	83.2
256.96674	100.0
482.39676	98.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	961.5374
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03445	1.6
70.22940	3.5
70.23298	2.4
71.01390	15.8
73.02955	3.1
81.03483	1.4
83.01383	2.6
85.02949	4.6
87.00867	5.3
89.02443	12.9
91.92937	1.3
96.96008	3.6
97.02920	3.1
101.02436	13.3
103.40342	1.3
112.45441	1.4
113.02438	7.4
119.03489	3.0
125.02474	8.0
143.03459	3.0
161.04550	4.6
179.05588	3.9
183.13878	5.6
211.13385	100.0
212.13696	5.6
220.54073	1.2
221.06769	1.6
224.53162	1.4
235.08209	4.9
239.99626	1.2
242.31914	1.5
277.21701	57.1
278.22086	4.9
287.07794	2.1
305.09015	1.6
323.09924	1.4
379.12512	13.9
397.13513	46.5
398.13559	1.9
415.14658	7.2
417.95840	1.2
591.26550	6.7
606.08984	1.2
609.27734	4.6
631.15063	1.5
657.34869	2.8
675.35724	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	951.4439
Annotation	Unknow
Peak:m/z	Relative Intensity
67.24819	0.7
69.03475	0.9
71.01378	29.3
71.05022	4.3
71.64019	0.8
72.99294	2.3
73.02942	7.4
78.48580	0.7
80.72134	0.7
83.01387	3.1
85.02943	13.0
87.00884	2.1
89.02435	6.6
95.01372	2.6
96.38123	0.7
97.02970	1.5
98.03723	1.1
98.19878	1.8
99.00882	3.0
101.02441	13.3
113.02446	10.3
119.03426	1.4
119.05026	2.2
123.04577	0.8
124.05266	0.9
125.02413	1.4
129.01888	0.9
134.03722	1.7
135.02995	1.2
137.09706	2.1
137.41360	0.7
139.07642	5.8
143.03485	1.1
152.75987	0.8
153.09201	3.9
155.10779	23.5
159.02971	1.3
161.04533	7.6
167.33064	0.7
179.05527	0.9
193.05072	2.2
196.64577	0.7
209.15388	1.0
227.16504	36.6
228.16809	1.7
299.02084	1.1
313.12729	1.6
327.08749	0.9
371.20709	16.4
372.21130	1.3
389.21777	19.8
390.22015	1.8
431.22812	100.0
432.23181	8.3
527.27795	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	953.2351
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01383	6.8
72.44595	0.3
72.99300	2.1
73.02940	0.6
83.01382	0.5
83.14118	0.3
87.00870	1.9
89.02454	0.6
93.03449	0.4
98.19853	0.9
101.02441	0.8
101.20576	0.3
105.01933	1.3
107.05042	0.4
108.02157	1.4
109.02946	13.4
113.02401	0.4
115.00370	9.3
117.01946	0.5
117.07111	2.0
119.05018	1.6
121.02948	1.2
122.03744	3.3
124.01653	0.5
127.00340	0.7
134.03763	0.8
135.04521	21.9
136.04895	1.0
137.02460	0.7
143.05016	0.4
147.04529	2.0
148.05312	6.7
149.05673	0.4
151.00351	1.1
154.02664	0.9
163.04022	1.0
167.08727	0.5
178.99957	0.4
179.03494	14.6
180.03917	0.5
203.18999	0.4
210.06784	0.4
211.07634	52.3
212.07973	3.6
219.08243	0.5
221.09692	1.0
223.07613	0.7
224.08334	0.4
229.00775	0.3
229.70628	0.3
232.42062	0.4
237.09236	2.0
239.10767	51.3
240.11105	3.3
243.02962	0.7
255.02968	2.4
271.02441	5.0
272.02805	0.6
283.09738	6.8
284.10159	0.4
300.02747	8.6
301.03470	4.1
311.09332	1.9
327.08728	2.7
341.08765	1.4
343.61710	0.5
373.12857	1.2
394.68085	0.4
415.10440	0.8
429.11893	0.7
463.08743	8.7
464.09113	1.1
489.13998	100.0
490.14337	12.8
593.79529	0.4
695.39502	0.4
707.98071	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	947.6102
Annotation	Unknow
Peak:m/z	Relative Intensity
70.40685	0.7
78.95904	20.8
117.40038	0.2
122.00119	0.7
134.98601	0.3
135.66945	0.3
140.01193	5.7
152.99562	1.6
166.02663	0.3
169.50023	0.3
196.03793	9.3
214.04858	2.0
255.23283	100.0
256.23590	5.7
379.17770	0.3
393.20361	0.3
397.13345	0.3
452.27805	81.6
453.28198	7.7
843.77844	0.3
867.02509	0.4
913.19971	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	948.4803
Annotation	Unknow
Peak:m/z	Relative Intensity
70.19430	3.7
71.01377	30.4
73.02940	6.7
79.92895	2.9
83.01378	3.5
85.02951	5.2
87.00852	3.7
89.02451	24.8
95.01396	4.3
97.02959	3.2
98.20644	10.8
101.02465	19.5
103.62176	3.6
113.02448	12.0
119.03477	6.5
119.11739	2.9
122.60120	3.2
125.02412	9.5
136.53204	3.6
157.30930	2.9
161.04594	4.9
179.05577	6.5
204.17950	3.1
211.71623	4.5
221.15552	3.7
235.08191	10.1
255.23293	55.2
256.23657	20.6
282.61484	3.2
293.21127	14.2
302.84048	2.9
349.38214	3.5
397.13498	100.0
398.13815	26.9
415.14661	31.1
416.14612	8.2
591.53113	3.6
733.42670	3.7
812.73553	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	948.4805
Annotation	Unknow
Peak:m/z	Relative Intensity
69.22345	31.5
70.14175	33.3
70.77302	100.0
74.27995	32.6
80.00159	36.6
86.45280	37.0
243.62842	41.5
277.21777	47.6
343.97711	38.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	949.3922
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03436	2.2
69.85271	1.4
70.60018	1.3
71.01380	44.0
71.55293	1.8
72.99313	3.9
73.02946	56.0
75.00879	1.5
81.03480	1.8
83.01385	16.7
85.02951	8.3
87.00874	4.1
89.02452	11.2
93.03456	3.2
95.82476	1.4
96.14659	1.4
97.02943	4.1
101.01794	2.3
101.02448	43.4
107.05046	2.3
108.02157	3.7
109.02914	2.1
111.04520	2.2
113.02441	20.9
119.03520	7.5
119.04971	6.9
121.02944	21.5
121.06554	2.7
122.03815	1.5
123.04530	16.4
125.02434	6.0
129.01947	1.9
129.07063	2.0
131.03476	5.8
135.04539	9.2
135.08176	6.8
137.02391	1.8
137.06104	1.7
139.04008	12.6
139.07687	1.4
143.03485	5.0
145.02957	1.5
145.06467	1.4
148.05267	1.9
149.04588	15.0
149.06024	12.2
155.03528	2.0
157.01436	1.6
157.06677	1.6
159.04419	1.6
161.02466	2.3
161.04558	30.4
161.05910	2.4
163.03973	3.1
163.07657	14.1
165.01730	1.4
173.06122	1.5
175.07591	4.1
179.05618	2.1
179.07162	1.7
181.08727	1.8
185.06065	4.2
187.03957	3.8
191.07175	2.3
192.25761	1.4
193.08725	10.3
203.05589	2.6
203.07150	14.3
211.02333	1.9
221.06532	18.6
221.08185	46.2
222.08525	2.9
239.09192	17.4
289.07147	2.4
297.13416	51.4
298.13867	2.1
327.08688	5.0
367.71658	1.3
371.09711	6.0
425.09021	1.8
459.18652	2.2
519.20819	100.0
520.21021	12.5
816.63037	1.5
977.04895	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	943.3817
Annotation	Unknow
Peak:m/z	Relative Intensity
67.88473	1.0
69.24940	9.0
71.01382	29.1
72.99316	2.2
73.02551	1.2
73.02946	17.3
83.01387	6.3
85.02951	10.7
87.00861	2.8
89.01960	1.3
89.02436	7.8
95.01389	2.5
95.05021	1.3
96.16657	1.0
97.02931	3.8
99.00902	1.8
101.02438	16.0
108.05779	1.6
109.06612	1.1
111.04490	1.0
113.01710	1.4
113.02452	18.7
113.06075	2.0
119.03493	2.6
123.08133	2.6
125.02439	1.4
125.06015	1.2
131.03497	1.0
136.05287	3.0
138.06874	16.1
139.07697	5.3
143.03497	1.4
151.07648	13.4
152.04897	0.9
152.08440	27.0
153.09215	71.8
154.09526	2.8
161.04562	6.9
163.11288	1.2
165.01952	1.0
165.09154	1.8
179.10832	1.0
190.10027	1.4
203.05579	1.7
205.12331	29.7
206.12694	1.2
221.06703	1.9
223.13397	13.6
265.58392	0.9
271.02567	1.9
282.17706	1.0
300.02744	2.8
367.17596	100.0
368.18033	9.5
385.18619	13.0
386.18594	1.7
427.19699	89.5
428.20056	9.7
594.30865	1.1
595.12775	2.3
915.01599	1.2
956.81519	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	947.4123
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03442	1.8
69.24529	7.8
71.01384	34.6
72.99316	1.3
73.02948	26.0
75.00866	1.2
83.01394	8.7
85.02951	11.1
87.00899	2.1
89.02449	9.9
95.01408	3.4
97.02959	4.2
98.20756	0.9
101.02441	23.9
106.61028	0.9
109.06578	2.1
113.02450	19.9
113.06106	1.7
119.03519	3.6
122.94175	1.0
123.08161	2.6
123.90630	1.1
125.02448	1.6
125.06071	2.0
131.03525	2.1
136.05310	2.9
138.06871	16.3
139.07637	3.4
143.03497	3.2
148.47958	1.1
149.04527	4.2
149.06020	1.0
151.07646	12.0
152.04715	1.1
152.08426	27.8
153.09213	69.4
154.09552	2.8
161.04536	10.3
163.11348	1.7
165.05461	1.0
165.09122	1.7
167.07077	0.9
182.02216	1.2
183.17989	1.1
187.11343	1.5
187.92259	1.0
190.10004	2.1
203.05658	2.0
205.12331	29.1
206.12708	1.8
215.79839	0.9
216.68515	1.0
221.06670	2.8
223.13374	12.8
255.03001	1.1
265.94913	0.9
300.02762	2.3
367.17612	100.0
368.17932	10.9
385.18588	11.7
386.19049	2.7
427.19699	80.4
428.19946	10.0
431.22702	4.1
595.13019	1.3
696.07867	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	937.2411
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00337	0.5
71.01398	2.3
73.90139	0.4
83.01376	0.7
85.02960	0.6
86.45474	0.5
93.03463	1.7
98.19860	1.1
103.05557	0.5
107.01386	1.5
109.02966	0.7
117.07106	0.7
119.05032	14.8
121.02963	1.4
128.91904	0.4
131.05002	2.5
132.05795	3.0
134.03682	0.4
141.87485	0.4
147.04539	8.2
148.01746	0.6
151.00378	6.5
152.68262	0.5
153.10550	0.4
163.00356	1.5
163.04010	8.3
163.15363	0.4
176.04808	1.1
178.99861	3.5
190.99867	0.6
195.08144	42.2
196.08456	2.6
203.90918	0.4
221.09709	2.3
223.11282	14.2
224.11610	1.0
225.14859	0.4
226.02692	0.5
227.03554	1.5
229.76866	0.4
237.09082	0.9
243.02997	5.8
244.03484	0.5
254.02213	1.4
255.02998	14.9
256.03519	0.8
267.10251	2.8
271.02472	30.2
272.02921	2.3
273.03815	0.7
283.02515	0.8
299.02103	0.6
300.02750	66.1
301.03473	26.8
302.03873	2.4
369.19046	1.4
387.20370	0.5
429.21445	1.7
448.98145	0.5
463.08820	100.0
464.02899	0.9
464.09091	10.0
465.09250	1.0
473.14511	69.6
474.14871	7.4
528.19000	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	937.2978
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00340	1.0
71.01383	2.2
72.99257	0.6
73.02949	0.4
78.42151	0.4
83.01401	0.7
85.02959	0.4
87.00846	0.7
93.03456	1.8
101.02406	0.5
103.05506	0.5
107.01382	1.8
108.02177	1.1
109.02974	0.8
113.02531	0.5
119.05032	11.6
120.05340	0.7
121.02963	1.3
131.05025	2.1
132.05791	2.9
133.17311	0.4
135.00870	0.6
147.04524	5.2
148.01692	0.7
151.00351	7.6
153.09196	1.0
160.67999	0.4
161.04501	0.5
163.00342	2.1
163.03996	6.0
164.01233	0.6
176.04750	0.5
178.99873	2.6
195.08144	31.3
196.08469	2.7
199.03973	0.7
211.04021	0.9
216.04340	0.5
221.09717	1.5
222.02351	0.4
222.10242	0.4
223.11256	9.4
225.14929	1.6
226.02779	0.9
227.03506	1.2
243.02969	5.0
244.03497	0.8
248.69122	0.4
254.02309	2.0
255.02969	15.3
256.03296	1.4
267.10297	2.5
271.02466	31.7
272.02905	3.0
273.03912	0.5
283.02487	0.7
299.02045	0.8
300.02740	72.8
301.03455	32.0
302.03860	1.7
311.09171	0.7
317.03067	0.8
369.18970	2.0
399.10907	0.6
429.21216	2.9
430.35834	0.5
463.08813	100.0
464.09113	12.2
465.09238	1.1
473.14505	44.8
474.14789	6.4
499.37891	0.4
699.43073	0.4
724.81592	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	933.3767
Annotation	Unknow
Peak:m/z	Relative Intensity
69.25645	2.7
71.01376	2.1
72.99303	0.6
73.02937	0.9
83.01375	0.4
85.02943	1.1
88.93250	0.3
89.02413	0.5
93.03458	9.8
96.99314	1.6
101.02450	0.7
111.00896	0.5
113.01565	0.3
113.02427	0.6
115.00343	0.9
115.05515	1.3
117.03445	1.0
119.05029	7.1
121.19188	0.3
127.00315	0.3
130.04211	1.8
131.05014	2.0
132.05832	2.0
134.03732	0.5
143.05026	3.9
145.02939	0.6
145.06606	0.7
147.04543	2.6
157.01358	0.6
158.03738	0.5
163.04013	3.3
171.04556	0.4
176.04761	0.6
187.04028	0.4
195.08139	17.7
196.08481	0.9
202.02725	0.6
206.07365	0.6
207.08156	2.1
211.02507	0.6
219.08189	3.1
221.09705	25.7
222.10121	1.9
223.11264	13.3
223.13452	0.6
224.11572	0.7
231.08052	0.4
234.06828	0.8
237.09230	1.0
247.07635	1.0
248.08424	2.7
249.09174	12.8
250.09515	0.7
267.10251	1.2
292.07410	1.1
293.08200	2.4
311.09283	3.3
349.89713	0.3
415.23111	0.4
429.21158	0.8
455.13513	0.8
473.14502	100.0
474.14862	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	937.2404
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99819	1.1
69.03439	0.7
69.86971	2.4
71.01383	12.3
72.99313	7.5
73.02929	1.2
75.00871	1.3
78.34228	0.6
83.01391	4.7
85.02954	1.8
87.00880	18.1
89.02444	1.6
93.03460	1.6
94.52074	0.6
97.92570	0.6
98.19959	0.7
99.00864	4.0
101.02434	1.3
105.01913	4.0
108.02146	2.9
109.02950	22.1
111.00880	2.6
112.98750	0.8
113.02457	2.2
115.00373	2.8
117.01929	0.8
117.07070	3.2
119.05024	20.1
121.02946	3.0
122.03744	6.5
123.00883	0.8
125.02438	0.7
127.00384	4.0
129.01927	1.6
135.03006	1.8
135.04498	3.7
137.02415	2.3
139.00378	3.1
139.03937	0.6
141.01978	1.0
142.99809	1.7
143.04964	0.8
145.02878	1.0
146.03761	1.4
147.04518	5.3
148.05148	0.8
150.03198	0.7
151.00395	1.3
153.01987	0.8
154.02747	0.9
154.99850	1.0
157.01437	6.6
159.04568	0.8
161.02396	1.1
161.06090	1.6
163.04010	8.3
165.01903	1.0
165.05585	0.9
169.01437	0.9
175.02571	1.0
178.99908	1.0
179.03471	1.9
181.01367	0.8
183.03009	0.8
195.08148	2.9
211.02458	2.3
211.07652	15.5
212.07896	0.7
219.08157	0.9
221.09761	3.5
223.07654	1.8
223.11299	0.9
227.03514	4.8
235.05931	0.8
237.09209	9.9
238.09949	1.3
239.10765	68.3
240.11121	4.6
243.02954	0.8
249.09222	1.3
255.03001	9.1
256.03571	1.1
265.08890	3.2
267.10248	4.9
271.02496	3.1
273.02417	0.7
274.27515	0.6
280.27670	0.6
283.09723	4.0
284.03214	7.3
285.03967	2.5
293.08206	0.7
295.09726	1.3
300.02737	7.4
301.03622	4.1
305.05063	2.9
309.07776	1.0
311.09225	23.2
312.09610	2.5
327.08676	8.1
353.10529	0.9
399.10855	18.8
400.11029	1.6
447.09332	19.9
448.09647	1.5
455.10056	1.1
469.11301	2.1
489.14032	100.0
490.14389	11.3
539.12207	0.7
557.13373	4.0
669.14551	1.1
691.65900	0.7
819.30920	1.3
916.77643	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	926.4965
Annotation	Unknow
Peak:m/z	Relative Intensity
74.77181	58.3
95.31975	55.4
98.19850	100.0
221.69655	65.4
229.14278	63.2
232.70660	53.2
236.25536	59.2
266.27185	66.4
399.50052	58.3
688.64703	59.2
861.48694	64.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	927.1837
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00323	0.9
69.34766	0.8
69.35165	3.1
73.00974	0.4
83.01384	0.6
93.50941	0.4
99.68701	0.4
107.01379	1.7
108.02177	1.1
109.02979	1.2
111.30791	0.4
118.68130	0.4
121.02964	1.1
125.02425	0.6
135.00909	0.7
137.07668	0.4
148.01656	0.9
151.00372	8.2
163.00369	1.4
178.99876	3.6
183.04480	0.6
187.03874	0.4
192.00710	0.5
192.28020	0.4
204.88707	0.5
208.64531	0.4
211.04066	0.6
226.02682	0.8
227.03493	1.9
229.04974	0.9
231.06990	0.5
243.03006	5.8
244.03613	0.7
245.04538	0.4
254.02156	1.2
255.02991	17.2
256.03333	1.1
271.02460	34.7
272.02985	3.0
273.03952	0.6
283.02426	0.5
299.02002	0.9
300.02747	68.2
301.03467	33.7
302.03845	2.5
463.08810	100.0
464.09091	9.0
493.13342	0.4
814.24823	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	929.5113
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03462	1.4
71.01381	16.0
71.55070	1.2
72.99304	1.6
73.02941	2.9
81.03445	1.2
82.57101	0.9
83.01395	2.1
85.02956	3.9
87.00869	5.3
89.02440	10.7
97.02968	2.0
99.00951	1.3
101.02441	12.8
113.02463	8.1
119.03506	3.2
125.02426	6.8
143.03522	2.6
161.04541	3.9
179.05608	4.4
183.13866	6.6
199.06059	1.2
207.15109	1.0
211.13385	100.0
212.13773	4.1
221.06607	1.5
235.08205	5.6
246.51543	1.0
253.09219	1.6
259.05219	0.9
259.08218	1.3
277.21716	54.3
278.19394	1.1
278.21982	4.7
287.07700	1.3
305.08783	2.9
323.09723	1.4
379.12466	10.2
397.13477	45.9
398.13705	3.0
415.14578	6.0
591.26990	6.7
609.27557	4.4
657.35071	1.2
675.35846	2.6
760.01105	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	932.485
Annotation	Unknow
Peak:m/z	Relative Intensity
65.60365	56.3
71.01379	73.6
72.93672	46.9
76.42683	66.4
77.41846	60.6
111.69714	58.2
135.36617	57.9
135.37720	53.5
140.13712	51.7
211.13351	100.0
212.13737	91.9
217.38770	54.1
217.59764	53.7
320.93594	54.2
387.20825	52.3
965.48529	61.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	921.302
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00323	1.1
69.27869	4.3
70.37084	0.4
71.01373	1.7
72.99313	0.9
73.02923	0.6
83.01389	1.4
85.02964	0.6
87.00837	0.8
93.03450	1.8
96.99224	0.4
101.02439	1.0
107.01369	2.5
107.17172	0.4
108.02168	1.3
109.02948	1.9
113.02441	0.9
117.03468	0.6
119.05025	33.4
120.05364	1.5
121.02941	3.8
125.02426	0.5
127.00404	0.5
131.05038	0.8
132.05788	1.7
135.00874	0.9
135.04475	0.6
143.05077	0.7
145.12773	0.5
147.04514	9.4
148.01662	0.6
151.00375	10.5
152.00737	0.5
161.04634	0.5
163.00383	3.1
163.04001	21.0
164.01041	0.5
164.04350	0.9
178.99860	5.3
190.99854	0.5
192.04321	0.5
195.08170	3.3
211.04050	0.6
221.09680	4.3
222.10162	0.7
223.11279	9.9
224.11623	0.8
227.03487	1.9
229.04971	0.5
238.78452	0.4
243.02968	5.0
245.04564	1.3
249.09137	1.3
254.02104	1.3
255.02992	14.0
256.03348	1.2
267.10245	19.6
268.10635	1.5
271.02457	27.3
272.02893	3.3
273.03876	1.5
283.02502	1.3
293.08176	1.5
299.01981	0.7
300.02734	56.5
301.03470	44.3
301.08453	0.6
302.03870	3.7
311.09219	1.7
317.87787	0.5
369.19263	0.8
371.62247	0.5
387.20206	0.9
429.16016	0.6
429.21390	1.3
447.09293	100.0
448.09659	12.3
449.09860	1.5
473.14493	68.9
474.14792	9.3
829.73993	0.5
923.67670	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	925.2254
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99811	1.5
69.03436	0.8
71.01380	15.7
72.99306	31.0
75.00854	1.6
81.03423	0.7
83.01371	6.0
85.02943	2.4
87.00874	59.0
88.01216	1.2
96.99311	4.2
97.02929	1.4
99.00878	7.3
101.02445	2.0
103.00352	0.8
103.05527	0.8
105.01933	64.2
111.00890	3.3
113.02435	2.2
115.00428	1.1
115.05539	4.4
117.01932	0.9
117.03436	0.8
119.05005	1.3
123.00849	0.7
125.02427	1.6
127.00366	12.2
129.01938	4.0
131.05064	0.9
135.03035	1.0
137.02444	1.3
139.00360	2.9
141.01956	1.2
142.99829	3.6
147.04520	28.0
153.01929	1.7
154.99823	0.8
157.01425	4.5
161.00909	6.0
163.02486	1.3
165.01953	1.0
169.01381	1.3
171.30583	0.6
175.02539	1.5
179.01837	0.8
181.01448	1.6
183.03026	1.9
185.00887	1.3
199.02345	1.1
203.02014	0.9
205.10225	2.8
207.11743	3.3
211.02448	3.5
229.03488	1.3
229.46120	0.7
231.01472	0.7
233.03058	1.2
233.09673	13.9
234.10051	1.7
247.04515	0.9
251.10774	9.3
252.11111	1.2
273.02563	3.8
277.08618	6.0
287.04077	0.8
291.03592	10.0
295.09738	100.0
296.10083	9.8
305.05133	2.1
309.04630	3.1
311.09241	1.0
323.06110	1.9
383.11337	37.9
384.11703	4.4
439.10440	2.1
441.12167	0.9
453.11966	1.1
481.10995	1.2
527.11859	0.9
565.13599	1.1
569.12915	9.0
570.13104	0.7
575.71259	0.7
587.14221	4.0
653.15216	2.7
654.15466	0.9
671.16241	1.8
709.15015	0.9
839.16443	3.1
840.17236	1.2
857.17731	2.5
889.21460	0.7
894.75317	0.7
914.21130	0.8
943.28577	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	921.246
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01375	1.4
73.02942	0.7
83.01389	0.6
83.25916	0.4
87.00892	0.6
87.04507	0.7
93.03457	7.1
96.99313	1.2
107.01414	0.6
107.05016	0.3
109.02954	0.6
117.03504	0.9
119.05035	7.9
120.05352	0.5
121.02944	0.7
123.04507	0.6
131.05038	1.2
133.02931	1.7
135.04547	0.6
137.02409	0.5
143.05026	6.1
145.02927	1.2
145.06598	0.5
147.04457	0.6
150.03186	1.1
151.00365	2.7
159.04565	0.8
161.04524	0.4
163.00342	1.1
163.03998	5.8
165.05513	1.3
167.14386	0.5
171.04541	1.0
175.03979	0.6
177.76865	0.4
178.06348	0.4
179.40137	0.4
185.06096	0.6
187.03975	0.5
189.01958	0.4
195.06517	0.4
197.15508	1.8
197.62309	0.4
199.04050	1.0
201.05496	0.4
211.03969	0.7
211.07617	1.7
215.03433	0.9
221.09708	0.6
223.07628	0.7
227.03412	2.1
229.05014	0.8
235.07649	1.5
237.09282	1.8
239.10834	0.6
239.16539	7.7
240.16884	0.6
241.14420	0.7
243.03020	2.0
245.04538	0.5
255.03036	2.7
257.04535	0.5
265.08664	6.5
271.02475	23.9
272.02878	1.5
273.04001	0.6
283.02524	0.7
283.09601	0.9
283.15536	2.7
299.01968	46.1
300.02576	6.5
301.03546	37.7
301.06293	0.5
302.03860	2.1
309.07736	1.5
327.08725	43.0
328.08972	3.3
446.08554	14.6
447.09164	12.7
448.09662	1.0
498.59677	0.4
525.21088	1.1
577.04218	0.5
593.15088	100.0
594.15472	13.5
885.28168	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	921.246
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00325	1.3
69.23331	2.9
69.23753	3.3
71.01385	2.4
80.50617	0.6
83.01397	0.8
93.03448	9.0
96.99313	2.0
98.20668	1.3
107.01402	1.8
109.02975	1.8
113.72831	0.7
115.00391	1.0
115.05549	0.8
119.05032	6.7
121.02989	2.5
130.04248	2.1
130.05264	0.6
131.05049	2.5
132.05792	2.0
143.05028	3.7
145.06598	0.8
147.04524	2.7
151.00346	9.5
163.00392	2.7
163.04021	2.8
164.04327	0.7
178.99876	4.4
187.04034	0.8
195.08127	14.9
196.08533	1.0
199.03978	1.1
207.08119	1.9
211.03865	1.0
219.08099	3.5
221.09698	26.4
222.10063	2.5
223.11278	14.4
227.03505	1.6
243.02925	4.2
245.04504	1.8
247.07689	0.8
248.08409	3.9
249.09172	12.0
250.09564	0.8
254.02290	1.2
255.03003	13.3
267.10254	0.8
271.02484	23.2
272.02945	2.0
273.04291	1.0
283.02499	1.4
292.07410	1.5
293.08136	1.8
300.02740	50.5
301.03491	36.5
302.03870	2.6
311.09222	2.2
312.09741	0.7
401.19611	0.6
447.09299	92.3
448.09695	8.3
473.14499	100.0
474.14828	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	921.2458
Annotation	Unknow
Peak:m/z	Relative Intensity
70.48183	0.5
71.01379	4.2
71.55407	0.6
72.99324	1.6
73.02940	2.2
75.00861	0.5
83.01385	1.0
85.02938	1.1
87.00884	1.8
87.04517	0.8
87.83850	0.5
89.02478	0.7
93.03451	8.9
94.03825	0.5
96.09166	0.5
96.99301	1.2
101.02456	1.8
103.29128	0.5
105.01937	1.0
105.31081	0.5
107.01432	0.6
109.02969	0.8
109.55051	0.5
111.00813	0.6
113.02444	1.6
117.03460	0.9
119.05021	22.3
120.05293	1.0
121.02991	0.8
122.03728	0.7
123.04586	1.0
130.04208	0.6
131.05031	1.2
133.02954	1.4
137.02400	0.9
143.05023	6.5
145.02943	1.1
147.04604	0.7
149.02521	1.1
149.12100	0.5
150.03218	2.1
151.00369	3.4
159.04512	0.7
161.04616	0.7
163.00404	1.1
163.04007	19.1
165.01996	0.7
165.05571	1.5
167.14285	0.6
171.04546	1.2
178.99873	0.6
195.06648	1.3
197.15483	2.1
199.03964	1.2
201.05554	0.8
211.04092	0.7
211.07542	2.9
221.09802	1.0
227.03465	1.2
228.91173	0.5
229.05031	1.1
235.07693	1.8
237.09184	3.1
239.10831	1.0
239.16507	9.8
240.16751	0.7
241.14514	0.8
243.03003	1.8
255.03053	3.3
261.22586	0.5
265.08655	8.6
271.02466	24.5
272.02734	1.3
283.02451	1.2
283.09732	2.5
283.15482	3.8
284.02933	0.5
285.04163	0.6
285.17075	0.9
299.01959	47.1
300.02542	6.7
301.03528	38.1
302.03934	2.4
309.07642	1.9
327.08731	74.7
328.09137	6.4
415.10464	0.8
429.21484	0.5
446.08530	15.4
447.09259	15.6
447.22388	1.1
448.09775	1.0
468.63171	0.5
489.23450	2.5
490.23456	0.7
525.21051	0.8
555.22284	0.5
593.15100	100.0
594.15436	13.9
594.24829	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	917.2568
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00348	1.5
83.01379	1.1
89.70615	0.8
93.03458	1.0
107.01382	3.3
107.51553	0.6
109.02925	1.2
114.38503	0.5
115.86552	0.5
121.02988	1.1
125.02449	0.6
133.03067	0.8
135.00897	1.4
137.02454	0.7
148.01717	0.6
151.00368	8.7
153.01932	0.8
163.00395	1.1
163.03963	1.1
163.64230	0.5
169.01421	0.9
171.04529	1.6
178.99840	3.7
179.10507	0.6
183.04465	2.0
185.02570	0.8
185.06088	0.8
186.11340	0.6
187.04021	1.0
191.05577	1.4
199.04034	3.0
201.02025	0.6
211.03989	1.7
215.03419	1.9
226.02747	1.4
227.03481	19.5
228.03908	1.5
229.05028	1.7
237.09193	1.0
243.02979	5.5
249.84782	0.5
255.02979	49.4
256.03531	5.0
257.04581	1.8
271.02478	63.5
272.02905	4.5
283.02481	28.1
283.05014	0.4
284.03250	53.6
285.03961	19.8
286.04352	1.7
299.01965	100.0
300.02646	31.8
301.03421	10.4
327.05106	0.8
446.08414	1.7
462.08011	17.0
463.08261	3.0
489.14215	1.7
523.33984	0.7
577.29285	0.8
755.20367	96.1
756.20581	16.7
917.25696	33.0
917.44409	1.1
918.26086	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	919.4547
Annotation	Unknow
Peak:m/z	Relative Intensity
69.51904	7.3
69.52311	6.1
71.01382	83.1
72.99294	5.1
73.02950	51.2
83.01378	21.8
85.02949	42.1
87.00903	11.2
89.02442	10.6
93.03477	2.9
95.01388	7.6
97.02957	3.8
99.00863	11.4
101.02439	63.7
102.02826	2.2
105.01965	5.2
109.57462	2.0
111.00899	4.7
113.02451	37.6
114.02705	2.3
119.03535	3.2
119.05030	11.9
125.02445	5.2
127.00340	4.2
129.01923	2.2
131.03520	1.9
143.03496	5.8
147.04524	6.7
149.04553	4.0
157.01395	3.3
159.03030	5.2
161.04558	29.9
163.04007	6.1
195.08142	5.1
196.55246	2.3
211.02495	4.4
221.06725	2.5
267.10284	3.5
305.05167	2.5
311.09195	32.4
312.09619	5.0
373.22293	100.0
374.22491	7.2
415.23370	57.2
416.23560	5.7
688.20575	2.3
881.29639	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	910.5015
Annotation	Unknow
Peak:m/z	Relative Intensity
71.46001	100.0
74.85630	48.3
116.92896	47.8
147.64911	52.8
185.72868	47.0
208.76935	56.1
228.74138	45.7
261.16455	45.0
362.98120	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	911.3922
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03452	4.0
71.01385	86.8
71.55785	2.7
72.99313	15.4
73.02946	74.9
75.00870	5.1
76.59903	1.4
81.03438	2.0
83.01381	28.1
85.02947	15.9
87.00881	15.8
89.02449	23.6
93.03410	2.3
95.01376	8.6
96.08987	1.6
97.02935	1.6
99.00877	4.4
101.02443	100.0
105.01939	13.1
109.02964	2.5
113.02452	46.7
119.03501	17.0
119.05013	4.7
121.06590	2.5
122.48753	1.6
125.02425	5.4
127.00340	2.8
131.03485	12.4
135.02986	6.3
137.09711	17.5
138.10060	1.4
139.00394	2.8
143.03514	10.5
145.70154	1.6
147.02951	1.9
147.04489	3.5
149.04549	23.6
150.03242	2.7
155.03471	2.6
157.01469	2.1
159.03021	1.6
160.19983	1.4
161.04556	41.5
165.01894	2.1
165.05524	2.2
179.05574	2.2
183.02856	1.9
189.12738	7.1
203.05597	6.1
208.55913	1.8
211.02470	3.2
221.06660	13.7
251.10789	5.1
289.98959	2.0
295.09747	18.2
296.10104	2.6
311.09183	5.4
343.32297	1.6
383.11487	9.4
384.11414	2.4
401.25433	1.6
411.20151	8.2
461.38385	1.7
610.55511	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	917.2357
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01882	0.4
68.12144	0.3
68.99818	2.1
69.03456	1.0
69.55852	0.3
69.56177	2.2
71.01383	6.6
72.99303	2.4
73.02931	1.0
75.00840	0.7
81.03469	0.5
83.01372	2.0
85.02940	2.3
87.00877	8.5
89.02431	0.8
93.03445	0.8
95.01381	0.9
96.99307	2.2
97.02954	1.1
98.20633	0.4
99.00877	3.3
101.02432	1.3
103.05554	1.0
105.01939	0.7
109.02948	1.0
111.00875	5.3
112.98861	0.3
113.02440	2.4
115.00375	1.3
115.05524	2.4
117.01894	0.5
119.05011	1.4
121.02953	0.5
121.79884	0.4
123.00843	0.9
125.02411	1.8
127.00372	12.8
129.01936	3.9
129.07050	0.4
131.03510	0.4
135.00899	0.6
135.04408	0.5
137.02437	1.5
139.00371	4.4
140.68944	0.3
141.01932	1.5
145.01399	1.9
147.04518	28.4
148.04837	1.4
150.06787	0.4
151.00398	0.4
153.01913	1.4
154.99852	1.3
157.01413	7.1
158.01802	0.4
163.04001	0.5
165.01926	1.2
166.99821	0.4
169.01422	2.9
175.02464	4.8
181.01466	1.5
183.02992	2.1
191.08759	0.4
199.02451	4.6
201.37088	0.3
205.10168	1.5
207.11748	3.0
211.02469	11.0
212.02710	0.6
229.03517	5.3
233.09694	7.1
234.10031	0.6
239.01836	0.4
244.81268	0.3
251.10745	9.1
252.11082	0.6
257.03079	0.6
269.03021	0.7
277.08661	2.8
287.04071	2.9
295.09738	100.0
296.10037	9.2
299.29462	0.3
305.05124	3.7
311.09174	0.7
319.06625	2.9
327.08820	0.5
337.10889	0.5
449.48801	0.4
453.12106	1.7
454.12427	0.4
507.12830	1.0
565.13373	2.8
566.13666	0.4
583.14764	1.1
597.16180	0.4
896.90881	0.4
910.22021	0.4
950.55646	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	910.3448
Annotation	Unknow
Peak:m/z	Relative Intensity
70.18776	2.1
82.02995	0.9
98.19965	0.7
99.05605	0.7
101.79504	0.6
114.63887	0.7
128.03560	3.7
135.24603	0.6
143.04613	3.1
160.00687	0.7
177.84966	0.7
210.08775	0.8
241.64053	0.7
254.07907	1.3
272.08954	3.4
291.19659	3.2
379.28595	1.5
457.20230	1.6
458.20944	2.5
459.21991	1.2
462.14575	0.7
475.16223	0.8
476.16815	6.9
477.17639	4.1
490.18427	1.4
491.19183	2.6
492.19778	1.0
517.22406	4.2
518.22821	0.7
521.16864	0.8
535.18054	10.6
536.18402	1.9
549.19452	2.1
550.20514	1.5
604.36169	1.3
605.21924	11.7
606.22711	2.5
637.24884	100.0
638.25183	19.6
656.56390	0.7
878.32471	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	907.2146
Annotation	Unknow
Peak:m/z	Relative Intensity
64.56199	0.8
68.99825	1.4
69.31795	0.9
71.01384	10.1
72.99309	100.0
73.02937	1.4
73.99670	1.1
74.31211	0.8
75.00866	2.0
76.20457	0.9
83.01387	2.5
85.02960	2.4
87.00877	48.7
96.99335	1.7
97.02953	1.0
99.00909	4.4
101.02428	2.0
103.05530	1.1
105.01934	68.2
111.00868	3.8
113.02457	1.5
115.00365	3.6
115.05522	2.6
119.05029	1.1
125.02480	1.1
127.00394	8.2
129.01944	6.6
137.02460	1.2
139.00368	2.0
139.43349	0.9
141.01851	1.1
142.99869	7.3
143.22661	0.9
147.04518	28.7
153.01949	1.4
157.01396	4.0
161.00920	11.9
169.01422	1.3
175.02463	2.3
179.01968	1.2
181.01508	1.0
185.00919	0.9
205.10216	2.4
207.11716	3.4
211.02477	3.1
229.03548	1.0
230.07664	1.1
231.01428	3.6
233.03050	3.1
233.09766	5.7
247.04630	1.9
249.02536	1.2
251.10774	8.9
273.02414	1.3
277.08646	1.5
287.04102	0.9
291.00623	1.4
291.03595	17.3
295.09756	58.0
296.10022	4.9
305.05118	1.7
309.04654	12.3
319.06738	1.2
323.06064	1.0
327.21680	0.9
377.21808	2.0
383.11444	12.7
384.11517	1.4
439.10205	2.4
453.11874	1.2
464.02554	1.0
471.13086	2.8
527.12000	2.9
587.14172	9.9
588.13995	1.2
653.15424	2.5
671.16132	1.5
857.17584	3.3
875.19519	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	907.3241
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99815	1.0
71.01379	12.3
71.55520	1.3
72.99297	2.6
73.02948	2.5
73.10183	0.7
80.47536	0.8
83.01404	1.4
85.02943	3.0
87.00858	3.5
89.02442	10.1
93.03457	4.6
95.01383	1.4
100.17605	0.8
101.02422	7.4
105.01889	1.6
108.02180	1.0
109.02969	1.5
113.02464	4.7
116.38415	0.8
119.03496	4.0
119.05037	2.8
121.02951	10.4
122.03745	16.1
123.00812	1.1
123.04567	1.7
124.01724	0.9
125.02453	1.1
127.27100	0.9
133.02930	3.0
134.03735	1.2
135.04558	6.1
136.00600	0.9
136.01663	17.3
137.02417	2.9
139.00352	1.3
143.03548	1.4
145.02959	1.1
147.04469	1.9
149.02443	29.3
149.06030	1.6
150.03224	89.9
151.00391	4.1
151.04018	23.0
152.01047	0.9
152.04408	1.1
160.05228	1.1
161.04550	2.2
162.03073	1.5
163.04002	4.1
164.04803	5.2
165.05563	97.9
166.02715	14.3
166.05905	3.6
167.03436	2.3
170.18683	0.8
172.05292	1.5
175.03954	4.6
177.01955	1.2
177.05533	2.3
179.05559	3.5
179.07050	1.1
180.04297	6.7
181.05055	16.3
181.07578	0.9
189.05521	3.4
190.06331	6.7
192.37988	0.9
193.04951	0.9
195.06624	41.2
196.06850	1.5
205.08728	1.8
221.08173	1.1
235.60748	0.8
266.05640	1.2
267.10172	0.9
271.09695	1.4
282.05365	1.5
295.09601	1.3
296.06921	0.9
297.07721	1.1
299.15012	1.7
300.02643	1.1
311.09299	2.2
313.10129	1.0
315.08823	1.8
325.10669	0.9
327.08820	1.7
329.10379	4.3
342.10950	1.5
355.11703	1.3
356.12631	1.6
357.09818	4.9
357.13327	5.3
369.13251	3.7
372.12161	4.1
373.12552	1.3
386.13779	2.4
387.09448	1.7
387.14471	32.6
388.14740	3.7
397.59943	0.8
401.11816	1.0
463.08759	1.2
490.16510	1.9
505.18710	3.4
517.18445	1.7
535.19733	46.4
536.19885	7.2
553.21051	1.9
565.20953	5.2
583.21814	100.0
584.13513	1.6
584.22034	16.3
633.00513	0.8
697.24951	5.4
698.24884	1.2
699.33124	1.0
745.27057	16.2
746.27234	2.9
911.18530	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	905.4667
Annotation	Unknow
Peak:m/z	Relative Intensity
85.38557	11.0
86.98796	11.1
95.24893	9.3
95.36237	9.2
98.19857	21.8
101.02475	10.8
116.45319	11.2
164.55197	11.5
211.13397	100.0
211.33755	10.5
277.21756	66.5
379.80063	10.1
385.42877	10.5
397.13513	67.9
675.36633	12.8
905.47095	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	901.2616
Annotation	Kaempferol 3-glucosyl-(1->3)-rhamnosyl-(1->2)-[rhamnosyl-(1->6)-galactoside]
Peak:m/z	Relative Intensity
63.02392	0.5
65.00333	0.8
70.54272	1.0
83.01387	0.6
85.74100	0.3
101.02444	0.3
107.01394	1.5
111.75391	0.3
117.03475	0.8
129.07043	0.4
132.02182	0.5
133.02910	0.3
133.04886	0.3
134.87537	0.4
135.00874	0.8
151.00371	4.8
155.04929	0.4
155.96025	0.4
159.04497	0.8
163.00385	0.8
164.01158	0.6
171.04500	0.5
178.99905	1.2
183.04488	2.3
187.04045	0.6
211.03976	2.7
227.03485	19.4
228.04024	1.2
229.03096	0.4
229.05031	2.2
239.03514	0.7
241.05038	0.5
255.02979	64.0
256.03494	5.0
257.04562	2.5
257.17270	0.4
283.02475	52.4
284.03238	71.4
285.03989	24.8
286.04306	1.6
309.04071	0.5
326.04288	1.1
327.04996	1.5
393.06171	0.4
446.08475	5.2
447.08685	0.8
739.20898	100.0
740.21149	16.3
781.21564	0.7
901.25903	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	901.4798
Annotation	Unknow
Peak:m/z	Relative Intensity
63.66955	2.2
65.02942	2.5
71.01395	12.9
71.05012	4.7
78.74739	2.2
78.89213	2.1
83.01382	2.4
86.28918	2.6
87.00905	3.6
89.02435	7.8
95.10713	2.2
97.02931	4.9
97.06573	4.1
98.72227	2.5
99.00880	16.0
100.91987	2.4
101.02432	10.0
113.02412	5.3
125.02435	3.1
125.09691	7.6
125.34827	2.5
163.11234	13.1
171.10245	8.1
181.12329	15.4
199.13347	7.6
207.10277	24.3
225.11351	29.0
243.12357	11.0
263.47528	2.8
277.21640	29.1
278.21979	4.2
397.13220	11.0
514.61926	2.4
686.15222	2.4
693.06854	3.0
849.41736	2.7
901.47906	100.0
902.48523	27.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	901.2616
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02423	1.1
65.00333	1.4
83.01388	1.5
93.73622	0.5
95.33282	0.5
107.01422	2.7
109.02914	0.7
117.03474	0.7
151.00372	8.3
163.00375	1.0
169.06505	0.6
171.04501	0.7
175.03966	0.7
175.73694	0.6
178.99857	2.4
183.04550	2.1
185.02440	0.8
185.06050	0.9
187.03967	1.0
190.99904	0.6
199.03941	1.5
211.03966	2.5
213.05542	1.2
214.18735	0.6
215.03523	0.7
226.02734	0.6
227.03485	26.8
228.03954	1.8
229.05034	2.9
239.03484	1.3
241.04991	1.0
243.02968	2.3
255.02983	68.7
256.03488	7.3
257.04575	3.0
271.02490	23.0
272.02875	2.1
283.02481	45.7
284.03247	85.2
285.03967	30.3
286.04266	1.4
299.01990	31.7
300.02637	10.7
301.03391	3.4
309.03918	0.8
326.04507	0.6
327.05286	0.7
382.41046	0.6
430.08878	5.4
431.09671	0.8
446.08514	6.6
447.09113	1.1
667.60266	0.6
739.20062	1.2
755.20374	100.0
756.20770	17.4
901.26019	16.5
902.27087	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	899.2256
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01893	0.7
68.99814	3.0
69.03458	0.8
69.39272	0.7
69.39687	2.0
69.45955	0.3
71.01003	0.6
71.01382	8.0
72.99312	1.7
73.02945	1.3
75.00874	1.0
79.01923	0.4
81.03486	0.7
83.01387	3.2
85.02970	2.8
87.00877	12.3
89.02450	0.7
91.05503	0.5
93.03455	0.8
95.01387	1.3
96.99318	1.7
97.02961	1.5
99.00884	3.7
101.02445	0.9
103.05574	1.1
109.02956	1.4
111.00873	5.4
111.04539	0.4
112.98820	0.4
113.02450	2.4
115.00402	1.6
115.05553	2.1
117.01953	0.7
119.05050	1.3
121.02934	0.5
121.27460	0.3
123.00886	0.8
125.02454	2.2
127.00376	20.4
128.00699	0.4
129.01941	5.1
135.00890	0.4
135.03003	1.0
137.02452	1.2
139.00377	5.1
141.01930	2.5
145.01439	1.8
147.04526	35.7
148.04849	1.4
151.00305	0.5
153.01968	1.6
154.99834	1.4
157.01422	8.4
159.02972	0.6
165.01981	2.1
166.99785	0.4
167.03333	0.4
169.01413	4.5
173.00865	0.4
175.02451	5.4
181.01434	2.3
183.02951	2.2
199.02487	6.2
205.10254	1.1
207.11787	4.1
208.12260	0.5
211.02489	10.6
212.02719	0.3
215.65959	0.3
221.09778	0.3
229.03503	8.0
229.05617	0.6
233.09724	5.6
234.10031	0.4
239.01970	0.7
251.10779	10.3
252.11238	1.0
257.03073	1.0
269.03030	0.9
277.08640	2.3
287.04077	3.4
295.09760	100.0
296.10110	10.1
311.09308	0.6
319.06644	4.1
327.08823	0.7
336.93665	0.4
365.22629	0.3
367.60620	0.4
453.11868	1.3
507.12772	0.8
565.13641	1.8
744.36261	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	893.3297
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99804	0.5
69.27686	3.0
69.28091	1.2
71.01381	5.6
71.79735	0.4
73.02953	1.5
75.07964	0.4
81.03444	0.7
83.01418	0.5
85.02959	2.0
87.00885	1.1
89.02440	2.0
93.03455	1.4
95.01382	1.0
99.00883	1.7
99.04514	0.9
100.73074	0.5
101.02432	2.0
108.02173	27.6
109.02353	0.6
109.02975	7.3
113.02412	2.5
123.00888	0.7
123.04481	0.5
125.02403	0.7
135.04564	0.6
137.02455	1.8
151.04018	1.5
152.01151	52.6
153.01698	2.5
161.04538	2.1
163.03995	3.0
177.01910	0.8
179.03461	0.6
181.05066	0.5
207.02859	0.7
271.08170	0.8
315.07440	0.5
447.11420	100.0
448.11829	9.8
752.92450	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	893.3447
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00334	0.4
71.01377	5.8
71.55418	0.5
72.99310	1.1
73.02941	1.8
76.34801	0.4
83.01371	1.3
85.02941	3.7
87.00871	1.5
89.02429	1.0
96.96009	0.6
97.02922	0.5
99.00851	0.9
101.02433	5.5
107.01392	0.6
109.02955	0.4
113.02447	2.4
119.04991	0.4
125.02402	0.6
135.00826	0.5
151.00349	1.1
159.02969	0.5
159.04475	0.5
161.04520	1.6
163.00348	0.9
165.01918	1.0
178.99857	0.5
180.04262	0.5
185.06093	1.0
187.03992	1.4
192.24953	0.4
194.05859	0.5
195.04552	0.4
195.06561	0.9
199.03886	0.8
211.04007	1.1
213.05493	0.7
227.03484	29.2
228.03848	1.5
229.05064	5.2
230.05415	0.6
241.05023	0.6
242.49426	0.4
255.02972	42.7
256.03540	5.1
257.04501	3.3
267.02847	0.6
280.02798	0.4
284.03235	49.2
285.03998	55.6
286.04395	5.8
295.09738	1.6
311.09125	0.6
321.11044	0.4
327.04953	0.5
367.33286	0.4
375.23889	8.4
376.24142	0.6
383.11581	0.8
384.85406	0.5
417.24857	8.3
417.29987	0.7
418.25302	1.0
431.09790	100.0
432.10110	11.3
507.99896	0.5
531.71863	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	895.2875
Annotation	Unknow
Peak:m/z	Relative Intensity
69.64433	2.1
69.64854	1.4
71.01385	5.9
72.99304	1.1
73.02937	1.9
75.00867	2.0
79.55341	0.6
83.01421	1.0
85.02960	1.3
87.00867	1.6
89.02436	2.5
92.65703	0.5
93.03448	1.4
94.05090	0.5
95.01376	0.9
96.96026	0.9
99.00890	0.5
101.02454	2.6
102.98574	0.7
105.01942	0.7
109.02907	1.0
113.02444	1.8
117.01859	0.8
119.03506	1.1
119.05040	1.0
121.02969	3.1
122.03736	1.1
125.02443	2.2
133.02963	2.6
134.03740	52.9
135.02988	2.2
135.04086	2.1
136.01657	0.8
137.01453	0.8
137.02449	10.8
139.04033	3.3
147.04475	0.7
149.02426	2.3
149.06082	17.3
150.03244	6.6
150.06357	0.8
151.00400	1.6
151.04016	1.6
153.01903	0.6
153.05566	0.6
153.22284	0.6
155.10817	1.0
160.01646	1.2
161.02364	0.9
161.04544	1.1
163.04015	1.2
164.04785	0.6
165.01918	7.2
165.05580	6.3
166.02626	1.2
167.07040	0.6
169.01466	1.1
175.03981	1.0
177.01927	0.8
178.02711	36.5
179.03246	2.6
179.07170	0.9
180.04280	4.8
181.05034	1.9
191.03407	0.7
191.07120	1.2
193.05051	100.0
194.05400	4.5
195.06628	6.7
196.35611	0.7
207.06657	0.7
208.03754	1.1
210.05299	0.9
211.09738	0.7
223.06177	2.8
225.07639	1.6
227.16470	1.1
235.06052	1.9
257.17343	0.6
275.06189	0.7
315.07248	1.0
389.22037	0.9
402.59363	0.6
419.14120	0.9
419.19308	1.9
421.15289	0.8
431.22720	5.0
432.23392	0.7
463.17786	1.7
511.19589	0.9
567.19025	1.1
615.20789	11.7
616.21124	1.9
641.22076	0.6
733.23956	1.1
744.11102	0.6
759.55426	0.6
777.25970	7.8
778.26672	1.5
795.28448	0.7
895.28705	13.6
896.29785	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	889.4798
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98806	5.4
70.67225	2.2
70.67548	4.3
71.01381	19.9
71.61534	1.6
85.02949	4.6
86.57767	1.9
87.00873	5.0
89.02446	15.6
93.23141	2.1
97.02939	3.8
99.50793	1.7
101.02439	11.4
101.20245	2.2
113.02441	8.1
116.92836	3.3
119.03512	2.5
125.02423	6.1
129.83331	2.0
153.95712	1.9
161.04521	3.7
171.10262	100.0
172.10628	4.1
179.05608	3.2
221.06633	2.1
235.08205	5.7
277.21716	69.1
278.21793	4.7
287.07803	2.0
295.37518	2.0
310.08701	2.0
335.60165	2.0
379.12396	15.1
397.13525	42.3
398.13861	3.1
415.14423	7.8
497.38089	2.4
571.42499	2.0
889.49976	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	889.4807
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98824	3.5
64.66531	1.6
65.68552	1.5
70.82940	1.7
71.01386	14.8
71.54674	1.4
71.55085	1.7
72.99281	1.5
73.02949	1.9
81.03537	1.7
83.01353	1.9
85.02940	4.4
87.00871	3.8
89.02456	11.3
97.02977	2.0
101.02454	9.8
107.35448	1.6
111.57835	1.5
113.02446	4.4
116.92836	5.0
118.86050	1.9
119.03508	3.1
125.02415	7.6
161.04590	3.3
171.10271	100.0
172.10565	2.1
179.05585	5.3
229.53116	1.4
235.08188	4.2
277.19080	1.8
277.21716	51.0
278.22162	3.8
279.69977	1.6
287.07681	1.9
305.08594	2.3
343.32281	1.5
374.98749	2.0
379.12350	11.3
397.13480	40.5
398.13821	3.2
415.14670	7.5
551.22833	2.3
569.24500	5.2
905.75647	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	889.3132
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98823	0.9
63.02373	0.7
67.48105	0.6
69.03454	1.4
71.01386	10.4
71.55917	1.0
72.99322	1.4
73.02943	3.8
83.01389	2.7
85.02946	5.5
87.00865	3.6
89.02449	2.0
93.03457	1.3
95.01374	1.3
96.95936	0.7
99.00888	1.7
101.02441	8.1
105.01953	1.3
107.01382	0.8
113.02446	4.6
119.03507	1.4
119.05020	2.7
135.00868	1.2
137.02402	1.0
139.00336	0.9
143.05060	0.8
147.04536	1.3
149.04448	0.9
151.00366	1.6
157.01486	1.1
159.02960	0.9
161.04536	3.5
163.00313	1.8
171.04456	1.0
174.54787	0.8
185.06017	1.5
187.03983	1.5
211.04147	0.9
213.05489	1.5
227.03499	26.8
228.03806	1.7
229.05020	6.7
241.05083	1.7
251.10635	1.0
255.00226	1.1
255.02975	42.8
256.03564	6.1
257.04581	4.5
284.03259	54.3
285.04010	66.3
286.04327	5.5
295.09781	4.6
297.10147	0.8
311.09189	2.9
312.09818	1.3
371.13602	0.7
371.20679	6.4
383.11407	1.2
413.21817	7.1
414.22067	1.1
431.09805	100.0
432.10165	14.2
525.12823	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	887.3197
Annotation	Unknow
Peak:m/z	Relative Intensity
66.99635	0.9
67.01908	1.6
68.99828	1.3
69.03450	2.6
69.30082	8.7
71.01384	31.8
71.05029	3.6
72.99307	6.8
73.02943	15.2
75.00869	13.9
75.52577	1.1
77.33557	1.0
81.03456	23.5
83.01411	5.2
83.05032	2.7
84.02169	3.9
85.02953	18.3
87.00866	5.1
89.02441	4.4
93.03461	1.8
94.04251	1.7
95.01376	5.4
97.02950	4.3
98.03733	12.2
99.00886	8.3
99.04520	47.9
101.02448	20.1
103.00368	2.0
105.01940	19.9
109.02936	1.2
109.06598	1.1
109.67251	1.1
111.00858	2.3
112.87772	1.0
113.02451	24.8
115.00367	1.3
117.01952	2.3
119.03479	1.3
119.05024	2.8
121.02959	55.8
122.03308	2.0
123.08115	1.2
125.02442	1.6
131.03500	2.0
137.02489	1.3
137.09709	3.2
139.11282	1.9
143.03505	3.4
143.89200	1.1
145.03003	1.1
149.04555	2.9
149.09735	13.4
150.10172	1.4
157.01360	1.9
161.04553	12.6
163.03989	1.3
167.10782	27.7
168.11102	1.2
175.02466	2.2
189.03934	1.4
203.05574	13.3
221.06638	1.9
231.05092	5.0
231.13921	3.3
243.02933	1.3
243.08701	3.2
245.26483	1.0
249.06152	38.8
249.14967	6.1
250.06506	2.3
255.02939	2.7
267.15976	3.8
271.02505	6.0
291.03372	1.2
300.02786	10.8
303.10870	11.0
328.09006	2.2
371.09830	100.0
372.10083	10.6
411.20221	12.7
412.20291	1.8
429.21249	3.7
436.54828	1.4
471.22324	45.6
472.22766	7.4
595.13226	10.6
596.13220	2.4
826.64136	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.4856
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98820	0.9
67.11134	0.2
69.03461	0.5
69.35728	1.4
69.36131	0.6
71.01381	13.5
72.99309	1.0
73.02958	2.1
75.00887	0.2
78.02891	0.2
80.02675	1.2
81.03463	2.2
82.91455	0.2
83.01379	1.8
83.05021	5.5
84.02172	0.9
85.02952	2.9
85.56451	0.2
87.00868	3.5
89.02444	11.7
91.04035	0.3
93.03452	0.3
95.01392	1.4
95.04990	0.6
95.95565	0.2
97.02969	1.7
98.20718	0.4
99.00894	0.7
99.04498	0.4
101.02444	9.7
109.02903	0.3
111.04512	0.4
113.02446	5.5
117.92583	0.3
119.03509	3.3
125.02444	5.5
129.87404	0.3
131.03549	0.7
132.17088	0.3
133.05081	0.3
135.04489	0.3
135.08090	0.6
139.03986	0.7
141.01956	0.4
143.03522	2.2
161.04550	3.0
163.11293	4.8
165.12862	2.5
167.03416	0.4
179.05609	3.5
181.12334	0.5
184.73674	0.3
191.10770	1.0
199.06152	0.4
199.13379	0.3
203.05705	0.3
209.11821	100.0
210.12160	4.9
217.07123	0.5
221.06641	1.7
227.12878	11.8
228.13264	0.4
235.08205	4.2
251.12872	0.7
253.09195	0.9
259.08206	0.4
275.20309	0.3
277.21716	44.9
278.22046	3.9
287.07654	1.4
305.08627	1.6
323.09924	1.1
379.12439	5.0
380.13086	0.3
397.13504	30.5
398.13831	2.2
415.14536	8.3
416.15042	0.6
607.26154	1.1
767.11450	0.3
885.47943	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.4848
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98820	0.4
69.03441	0.8
69.95828	1.5
71.01381	16.4
72.99304	1.4
73.02955	2.6
75.00865	0.3
78.51402	0.3
80.02677	1.3
81.03452	1.7
81.03867	0.3
83.01387	2.4
83.05024	5.5
84.02174	0.7
85.02950	3.6
87.00871	4.0
89.02445	13.7
95.01398	1.1
95.05036	0.9
97.02954	2.2
99.00845	0.5
101.02444	11.7
101.28499	0.3
111.00889	0.4
111.04487	0.6
113.02451	6.3
119.03484	4.1
123.04512	0.3
124.01717	0.3
125.02439	5.4
125.06053	0.4
131.03488	0.4
133.05101	0.6
135.08144	0.7
137.02443	0.3
139.04007	0.7
141.01923	0.4
143.03510	1.7
159.03168	0.3
161.04559	3.4
163.11293	3.2
165.12825	2.7
167.03535	0.3
179.05618	3.4
181.12343	0.5
191.10809	0.8
204.60210	0.3
205.16893	0.3
209.11816	100.0
210.12160	4.8
212.68373	0.3
217.07106	0.8
221.06651	1.7
227.12868	11.3
228.13301	0.7
235.08235	4.8
253.09183	0.7
263.07773	0.4
277.21704	50.0
278.22021	4.6
287.07681	1.4
295.09576	0.3
305.08682	1.6
323.09650	0.8
379.12421	5.2
397.13483	35.5
398.13620	2.0
415.14587	8.9
415.19681	0.2
416.14755	0.6
466.13855	0.3
589.24792	0.5
607.26306	0.7
657.34735	0.3
675.36487	0.7
830.52728	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.4852
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	1.4
69.03461	1.4
69.26284	6.9
69.95062	0.8
71.01002	1.5
71.01382	20.9
72.99310	1.7
73.02944	2.9
83.01382	2.1
83.05054	0.8
85.02973	4.7
87.00874	4.3
89.02445	15.8
95.01376	1.6
97.02941	2.3
99.00885	0.9
101.02444	15.3
111.08164	1.5
113.02463	6.1
119.03506	3.6
125.02427	3.0
143.03502	1.3
161.04533	2.3
163.11206	0.8
165.12827	7.6
179.05634	2.5
183.13896	52.8
184.14249	2.1
208.29181	0.8
209.11893	1.1
221.03439	0.8
221.06601	2.5
224.17676	1.0
227.12866	3.7
235.08200	2.2
259.20731	1.0
274.78033	0.8
274.81339	0.8
277.21725	56.3
278.21994	3.7
316.49570	0.7
324.09485	0.8
379.12625	1.7
397.13492	13.2
398.13892	1.2
415.14520	3.3
480.19266	0.8
551.44269	0.9
607.25916	1.6
625.27307	1.1
885.48517	100.0
886.48816	25.5
894.97516	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.4851
Annotation	Microtoenin A
Peak:m/z	Relative Intensity
61.93250	0.3
61.98829	1.7
67.98478	0.4
68.99804	0.4
69.03471	1.9
71.01381	24.9
71.54864	0.6
72.01736	0.4
72.61577	0.4
72.99309	1.7
73.02952	3.4
75.00868	0.5
75.02582	0.5
81.03465	0.6
83.01392	2.3
83.05045	0.8
85.02956	6.0
87.00877	4.3
89.02445	15.8
90.02777	0.5
93.62772	0.4
95.01385	1.7
97.02946	3.5
97.06628	0.7
99.00886	1.3
101.02441	16.4
103.60436	0.5
109.03014	0.5
111.00912	0.4
111.04539	0.6
111.08180	0.6
113.02457	7.1
113.32627	0.4
119.03505	3.5
121.02933	0.8
125.02446	5.0
131.03519	0.9
133.05116	0.5
139.04010	0.6
141.01907	0.5
143.03494	2.5
161.04555	3.3
165.12839	7.5
178.44955	0.4
179.05592	2.2
180.15456	0.4
183.13893	80.2
184.14253	3.8
197.85228	0.4
209.11862	2.3
214.14801	0.4
217.06975	0.5
221.06638	2.9
227.12898	7.5
235.08202	2.4
237.15157	0.4
253.09262	0.5
277.21704	32.4
278.22000	2.6
287.07779	0.5
325.41550	0.4
379.12408	2.2
397.13483	12.7
398.13721	0.8
415.14508	2.9
518.47070	0.5
581.28406	0.5
607.25836	1.3
625.26941	2.7
626.27075	0.5
789.83649	0.5
862.15509	0.5
867.47009	0.5
885.48492	100.0
886.48804	27.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.2669
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02393	0.6
65.00343	1.1
65.86270	0.4
70.67061	0.6
70.67393	0.6
74.25853	0.4
80.45974	0.4
83.01379	0.8
93.03457	0.9
95.01428	0.4
101.64445	0.4
107.01369	1.9
111.00873	0.6
112.49818	0.3
113.02419	0.5
116.93996	0.3
117.03442	1.1
119.05031	2.1
121.56097	0.4
125.02435	0.9
132.02193	0.6
132.48785	0.4
135.00880	0.9
137.02415	0.5
139.00323	0.6
139.81084	0.3
151.00368	5.7
155.04755	0.3
157.01434	0.5
163.00314	0.9
163.04002	1.3
169.01411	0.6
169.06659	0.7
171.04532	0.4
178.99811	1.6
183.03087	0.6
183.04433	2.5
187.03967	0.7
189.05586	0.4
201.85239	0.4
211.04103	2.2
212.04518	0.5
213.05563	0.9
217.05006	0.5
227.03493	24.9
228.03882	1.7
229.05147	2.2
241.05116	0.7
255.02980	72.9
256.03473	7.8
257.04517	2.6
283.02478	62.7
284.03235	85.6
285.03958	29.5
286.04343	1.4
309.04016	0.6
327.05405	0.5
327.08716	2.6
339.05066	0.5
393.06158	0.5
397.29938	0.4
430.09039	8.0
431.09497	1.4
575.14117	1.0
623.24127	0.4
665.36414	0.4
721.60760	0.4
739.20917	100.0
740.21222	16.9
740.34619	0.8
885.26764	7.4
886.26709	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	885.2098
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01883	0.7
68.58335	0.4
68.99818	2.9
69.03452	1.1
69.22601	3.7
71.01382	8.1
71.92255	0.3
72.99309	2.8
73.02938	0.9
75.00877	0.9
81.03458	0.6
83.01376	3.6
85.02950	2.8
87.00877	10.6
89.02430	0.8
93.03414	0.7
95.01346	1.2
96.96004	1.7
96.99321	2.1
97.02940	1.4
99.00882	4.3
99.42868	0.4
101.02428	1.6
103.05546	1.6
105.01931	0.5
109.02943	1.7
111.00880	6.5
112.98818	0.4
113.02452	3.6
115.00366	1.9
115.05537	2.7
119.05006	1.1
121.02982	0.4
123.00885	0.8
124.98817	0.4
125.02448	2.3
125.99606	0.4
127.00376	13.0
129.01944	4.8
137.02408	1.6
139.00383	5.8
141.01955	2.1
145.01462	2.1
147.04524	34.1
148.04826	1.5
151.00385	0.9
152.38100	0.4
153.01971	2.2
154.99844	1.7
155.03407	0.7
157.01428	6.8
159.03033	0.7
165.01910	1.5
166.99849	0.4
169.01424	2.9
175.02461	6.3
181.01439	1.3
183.02904	1.9
197.00909	0.7
199.02455	5.5
205.10201	1.7
207.11768	3.1
211.02478	13.9
212.02802	0.8
229.03535	6.0
233.09656	6.8
247.04723	0.4
251.10727	9.3
252.11176	0.9
257.02985	0.7
269.03030	0.6
277.08588	2.5
287.04004	3.8
295.09741	100.0
296.10095	10.1
305.05118	2.5
306.16235	0.4
309.56012	0.4
311.09268	1.1
319.06680	1.7
327.08862	0.6
337.10736	0.5
447.44217	0.4
453.12268	0.9
507.12985	1.0
565.13568	1.5
583.14618	0.5
774.07043	0.4
848.31854	0.5
866.08929	0.4
871.87097	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	883.2414
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99807	0.5
70.02982	1.6
71.01398	0.7
71.55502	0.5
72.00922	0.7
72.99310	0.4
73.02960	0.3
74.02472	12.4
83.01397	0.9
85.02945	0.7
86.76367	0.3
87.00877	2.3
89.02420	0.5
98.02477	3.7
101.02410	0.4
107.01400	0.4
109.02982	1.1
111.00866	0.4
113.02451	0.5
115.00372	0.3
116.03532	2.2
116.05058	4.9
119.05020	1.5
121.02979	0.6
125.02487	1.0
127.00378	1.5
129.01961	0.9
130.06644	0.5
133.03027	0.4
135.04515	0.4
137.02422	0.7
142.06639	0.9
151.00369	3.1
157.01422	1.3
159.04495	0.6
159.09277	1.1
163.00366	0.7
163.04018	1.0
165.01947	0.9
168.54669	0.4
169.01479	0.8
171.04599	0.5
178.99927	0.6
181.01360	0.4
185.06049	0.7
187.03987	0.6
192.00529	0.3
195.06642	0.4
199.02422	1.0
199.04080	1.0
201.05557	1.2
201.10359	1.1
203.03481	0.3
203.08252	12.3
204.08601	0.6
211.02376	0.3
211.04057	0.6
213.02132	0.4
215.03555	0.6
227.03578	1.6
229.05087	1.3
243.02968	2.1
245.09286	29.2
246.09567	1.9
254.02202	0.6
255.02972	4.0
257.04596	0.5
259.02359	0.4
271.02457	25.8
272.02924	1.8
273.03763	0.5
283.02530	1.0
285.03793	0.5
299.01962	49.9
300.02539	8.2
301.03513	41.1
302.03796	2.8
311.09341	1.9
325.25293	0.3
343.04617	0.4
446.08517	17.0
447.09268	13.2
448.09512	1.2
541.60565	0.4
590.95557	0.4
593.15076	100.0
594.15369	16.4
595.13361	1.0
707.24823	0.4
857.01306	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	881.1939
Annotation	Unknow
Peak:m/z	Relative Intensity
62.85825	0.7
69.66890	1.3
69.67299	3.5
71.01370	1.2
71.14748	0.6
81.03455	1.6
83.01391	3.1
85.02961	0.8
87.00874	1.1
89.02415	0.9
93.03480	1.8
95.01405	1.4
97.02978	1.1
98.19900	1.4
101.02436	1.3
107.05021	1.9
108.02161	1.1
109.02959	8.6
111.04533	1.3
112.13673	0.7
113.02421	1.0
118.66931	0.9
121.02966	3.3
123.00914	1.8
123.04539	2.5
124.01700	1.0
125.02448	100.0
126.02795	3.1
127.00374	1.1
131.04991	0.9
133.02957	4.9
135.04541	2.0
137.02435	15.8
138.03223	1.0
139.04027	6.4
145.06612	1.1
147.04434	0.9
149.02432	3.2
149.06091	1.4
151.04019	7.2
159.04512	2.3
161.02451	28.1
162.03111	2.2
163.00357	1.4
163.03998	3.4
164.01167	6.6
165.01968	8.5
165.05542	1.1
167.03473	6.3
174.03294	1.0
175.03998	12.8
177.01924	16.3
177.05550	2.8
179.03517	5.7
183.04350	0.9
187.04019	3.5
189.01970	1.9
191.03551	1.1
193.04993	1.7
199.04008	3.7
201.01888	0.8
201.05614	2.0
203.03514	2.8
205.01428	2.3
205.05132	1.8
211.04060	1.3
215.03439	1.9
217.01477	1.8
217.05023	6.6
218.05547	1.0
219.02988	2.7
219.06584	4.0
221.04558	2.3
225.05704	1.0
227.03462	1.7
227.07146	0.8
228.04320	0.9
229.05064	2.0
231.02953	1.5
243.02974	16.3
243.06657	2.5
245.04530	7.9
253.05087	1.0
255.03009	7.1
256.03714	1.7
257.04501	1.1
261.04053	5.4
261.07547	1.4
269.04483	3.7
269.74026	0.8
273.04089	1.3
282.01849	1.1
283.02563	4.1
283.05551	0.7
285.04156	2.2
287.05609	25.0
288.06027	1.6
289.07156	3.2
297.03873	2.1
299.05640	2.2
303.04974	1.1
305.06656	21.0
322.76358	0.9
329.06537	1.4
331.08301	0.8
337.07346	0.9
344.35687	0.8
347.07681	0.9
355.08267	1.1
371.10153	1.8
379.08444	0.9
397.09021	1.3
405.06155	4.2
407.07629	2.4
413.08710	6.2
423.07178	23.5
424.07602	2.6
425.08594	1.6
435.06992	1.2
441.08279	5.2
449.08704	4.0
465.08154	1.6
467.09958	8.2
468.10443	1.1
541.07739	2.5
543.09277	1.7
561.10559	1.2
575.11896	6.9
576.12213	1.1
577.12799	0.9
585.10382	1.8
593.12891	9.2
594.13184	1.7
603.10413	0.9
632.81335	1.0
711.13043	5.1
712.12531	0.9
713.15125	1.4
729.14929	1.6
755.16394	1.5
881.19299	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	881.1775
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00320	0.9
71.01396	0.8
76.41375	0.5
91.01851	0.6
107.01404	1.4
108.02180	0.8
109.02970	0.7
121.02934	0.8
148.01762	0.8
151.00366	5.7
163.00360	0.8
174.66594	0.6
178.99828	2.2
226.02798	1.2
226.96994	0.7
227.03476	3.1
243.02953	5.0
244.03494	0.8
254.02177	1.3
255.02977	18.1
256.03525	1.5
271.02457	37.3
272.02905	2.6
284.03192	2.7
285.04065	1.5
300.02731	83.0
301.03397	21.5
302.03702	1.2
393.15024	0.6
433.07709	100.0
434.08005	10.6
447.09357	6.2
636.72217	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	881.1935
Annotation	Unknow
Peak:m/z	Relative Intensity
62.35112	0.7
67.66319	0.7
69.03423	1.2
69.34641	5.7
71.01376	0.9
73.21267	0.8
77.21914	0.8
80.35181	0.8
81.03465	1.8
83.01389	3.7
87.00871	1.2
89.03970	0.7
93.03471	1.7
95.01418	1.1
95.05012	0.9
97.02964	1.9
98.19855	1.6
99.72746	0.7
105.03587	0.7
107.05049	2.0
109.02954	9.6
111.04539	0.8
113.02510	0.8
119.30804	0.8
121.02953	2.7
123.00879	1.8
123.04536	4.3
124.01662	1.8
125.02448	100.0
126.02811	2.7
131.05049	1.5
133.02954	5.3
135.04500	1.3
137.02451	17.7
139.03993	4.9
147.04558	1.7
149.02443	3.6
149.06116	1.1
150.03215	1.6
151.03992	9.1
159.04510	2.3
161.02434	24.8
161.06111	1.2
162.03000	0.9
163.00389	2.4
163.03996	4.5
164.01151	6.2
165.01912	8.6
166.02536	1.1
167.03491	5.5
173.06029	2.0
175.03990	13.8
177.01927	24.4
177.05540	3.2
178.02611	1.1
179.03491	4.4
187.04031	3.1
188.04807	0.8
189.01888	2.6
191.03467	2.1
193.05101	1.4
199.04010	3.2
200.04355	0.9
201.05603	2.5
203.03517	4.7
203.05074	0.7
203.07138	1.8
204.04231	1.5
205.01422	2.1
205.04980	1.6
217.01494	1.6
217.05048	8.0
219.03041	4.6
219.06621	2.9
221.04544	1.5
225.05534	1.6
227.03488	1.6
229.04968	1.3
231.03029	1.2
241.05130	1.0
243.02975	20.1
243.06639	1.5
244.03407	2.1
245.04538	7.7
245.08113	1.8
253.05023	1.0
255.02997	8.4
256.03696	2.2
257.04456	2.1
259.05832	0.9
261.03949	8.6
261.06659	1.0
261.07538	0.8
269.04559	3.4
273.04059	2.1
281.04462	1.7
282.01651	1.6
283.02591	4.6
285.04007	1.9
287.05588	21.2
288.06039	1.4
289.07211	7.2
295.06046	1.1
297.04108	2.0
299.05582	3.0
303.05212	3.8
305.06738	19.4
306.06967	2.1
357.06396	0.9
381.06146	1.0
397.09366	0.9
405.05954	4.0
407.07639	6.4
413.08612	6.7
423.07211	20.6
424.07510	2.6
425.08780	3.8
429.08023	0.9
441.08420	2.8
449.08698	3.1
451.10266	1.9
452.07635	1.3
465.08261	2.3
467.09769	8.0
525.08673	1.0
533.11359	1.2
536.78015	0.9
541.07764	2.1
543.09503	2.8
559.09015	1.1
575.11755	7.1
577.12708	2.4
585.10266	0.9
591.11536	1.3
593.12982	7.0
603.11658	1.0
613.54822	0.8
695.14636	3.7
711.13763	3.7
729.14001	1.7
755.16071	2.1
881.19269	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	877.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98799	0.7
63.56226	0.6
65.00317	1.4
68.63246	0.6
71.01379	3.0
71.55402	0.8
72.99304	1.3
73.02950	1.0
83.01383	1.6
85.02969	0.6
87.00855	1.3
89.02431	1.2
90.66035	0.7
91.01888	0.7
93.03420	0.7
101.02458	0.9
102.98614	3.3
107.01389	2.5
108.02160	0.9
109.02924	2.2
113.02420	1.7
119.05009	2.8
121.02946	3.4
122.03734	1.5
123.04552	1.0
125.02477	0.9
133.02931	0.9
135.03029	2.3
136.01695	0.9
137.09654	0.6
138.69501	0.6
143.05275	1.1
146.03665	0.8
147.04529	1.6
148.01656	0.7
149.02451	4.4
150.03223	17.5
151.00356	10.6
151.03928	2.4
161.05975	0.7
163.00383	2.4
163.03949	1.0
164.04727	1.7
165.04164	1.0
165.05556	15.6
178.99840	4.8
179.07060	0.8
180.04219	1.7
191.03410	1.9
194.05815	0.8
195.06567	4.6
215.03551	0.7
216.05966	0.7
223.11159	0.7
227.03471	2.1
243.02896	3.6
245.04568	1.5
254.02229	1.0
255.02994	14.6
255.10541	6.1
256.03445	0.8
256.10794	0.7
267.03079	1.2
267.06430	0.7
271.02460	24.3
271.05435	1.2
272.03027	2.2
282.05392	1.4
283.02414	0.7
295.09726	1.7
296.06937	0.7
297.07642	1.6
300.02731	59.1
301.03470	46.2
302.03732	3.4
311.09268	4.3
312.09772	1.7
322.04764	1.2
323.05750	0.7
324.06287	1.1
327.12381	1.2
335.12567	1.1
336.06708	0.7
337.07220	3.8
338.08035	0.7
339.08664	1.3
341.06683	1.6
343.12054	1.0
352.09427	2.2
353.06604	2.6
354.07202	0.7
355.08191	1.5
356.08847	1.3
368.08911	1.7
370.10556	2.0
371.11069	4.2
380.38226	0.8
383.11237	5.8
385.12927	1.0
429.12082	3.1
429.17288	1.2
447.09280	100.0
448.09628	12.0
473.14182	0.8
519.16406	1.2
549.17670	2.5
553.20746	0.8
597.19733	15.9
598.20166	2.6
639.20941	1.3
715.22571	2.4
759.24976	2.9
877.27594	10.5
878.28320	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	868.5062
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
70.19499	0.2
70.19831	0.7
71.91266	0.2
75.22731	0.2
98.20628	0.3
102.71889	0.2
119.53420	0.2
177.09833	0.2
178.10385	0.2
178.46550	0.2
442.24008	0.2
463.31058	0.2
573.56903	0.2
738.84442	0.2
790.94965	0.2
871.33734	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	870.4699
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
62.98534	0.2
69.95141	0.6
69.95544	0.4
145.66760	0.2
200.32666	0.2
211.13408	0.3
255.23476	0.2
277.21771	0.3
445.87787	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	877.2766
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98825	0.6
65.00324	1.0
71.01379	1.9
71.55840	0.9
72.14175	0.4
72.99328	0.8
73.02949	1.0
83.01388	1.5
86.06734	0.5
87.00883	1.4
89.02446	1.3
98.84863	0.5
99.00884	0.6
101.02431	0.7
102.98604	3.5
105.01931	0.6
107.01412	2.4
108.02216	0.8
109.02950	2.0
113.00636	0.8
113.02441	1.1
119.05025	2.7
121.02937	3.7
122.03748	1.7
125.15697	0.6
133.38148	0.5
135.02975	1.0
136.01688	0.6
137.02449	0.6
141.09218	1.8
147.04495	1.7
148.01637	0.6
149.02461	2.9
150.03221	9.9
151.00372	9.7
151.03902	1.1
152.00626	0.6
153.01942	0.5
153.03769	1.6
163.00375	2.5
164.04825	0.5
165.01888	0.7
165.04202	0.5
165.05563	10.2
166.05914	0.6
178.99854	4.9
180.04323	0.9
181.04959	0.8
191.03535	1.2
191.07030	0.7
193.05058	0.6
195.06535	2.5
211.04004	0.8
226.02707	1.0
227.03458	1.3
235.15257	0.5
239.12895	0.9
243.03001	3.8
245.04506	1.2
253.04967	0.6
254.02264	0.7
255.03000	14.9
255.10580	10.2
256.03397	1.4
256.10962	0.9
271.02463	27.1
272.02985	2.7
273.04099	1.5
282.05371	0.9
283.02502	0.8
293.08191	0.6
295.09698	1.1
296.07092	0.6
297.07706	1.8
299.09647	0.5
300.02756	54.9
301.03476	48.1
302.03787	3.4
304.84491	0.5
309.07697	0.7
311.09164	3.9
312.09790	1.1
324.06262	1.0
327.12375	0.6
337.07095	2.0
339.08749	1.6
341.06656	1.4
352.09613	0.7
353.06647	1.4
355.08240	0.8
356.09070	1.0
368.09018	1.1
370.10336	0.9
371.11441	2.9
383.11252	3.5
385.13171	1.5
429.12140	4.0
447.09320	100.0
448.09622	12.9
448.15811	0.6
475.17331	0.5
519.16577	1.2
549.17926	1.7
597.19659	10.5
598.19696	1.4
639.20825	1.0
715.22540	1.4
759.24762	1.2
877.27679	6.2
878.28217	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	865.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
67.21414	0.7
69.03465	0.8
69.48212	2.0
69.48637	2.7
81.03455	1.2
83.01387	4.5
89.02433	0.8
93.03425	1.7
95.05019	0.8
97.02963	1.9
104.69398	0.6
107.05038	2.0
109.02946	11.7
110.03319	0.7
113.02427	0.7
119.05013	1.0
121.02949	3.5
122.03692	0.7
123.04532	6.5
124.01657	0.6
125.02449	100.0
126.02780	3.0
133.02974	5.2
134.03781	3.1
135.04529	1.8
137.02444	15.2
139.03984	1.8
146.03679	1.0
147.04494	1.0
149.02444	4.0
149.06039	1.6
150.03232	2.2
151.04012	10.8
151.05122	1.1
159.04489	2.1
161.02449	31.7
161.06075	2.8
162.03041	2.5
163.00389	2.6
163.03999	5.1
164.01141	6.6
165.01927	6.3
165.05580	1.3
167.03494	1.7
173.05931	0.7
174.03212	1.1
175.03986	15.2
176.01137	1.2
176.04361	1.5
177.01926	11.8
177.05637	0.8
178.02654	2.2
179.03496	2.7
185.06079	0.8
187.03975	4.2
188.04816	1.3
189.01918	2.0
189.13445	0.8
190.02507	0.8
191.03439	0.8
193.05070	6.8
195.06653	0.8
199.03981	4.8
201.01906	1.1
201.05536	2.0
203.03493	2.9
203.07132	4.2
205.01398	2.2
205.05028	3.3
211.04184	0.7
214.02638	1.1
215.03537	1.2
217.01659	1.0
217.05103	7.2
219.02983	2.7
219.06586	1.0
221.08167	0.9
225.05545	1.2
227.03539	1.9
227.07118	0.7
229.05106	1.7
231.02975	1.6
243.02963	20.0
243.06688	1.0
244.03439	1.6
245.04466	9.3
245.08218	5.7
247.06204	1.1
253.05154	0.8
255.02963	5.3
256.03848	1.6
257.04517	2.0
261.04019	7.6
269.04474	3.3
273.03967	2.2
281.04584	2.5
282.01868	1.0
283.02539	2.3
285.04028	1.9
287.05603	30.9
288.06015	1.9
289.07175	23.1
290.07675	1.9
297.04187	1.0
299.05582	3.8
315.08688	1.6
329.06610	1.4
339.08865	1.9
341.06729	0.8
363.04926	1.0
371.09970	1.1
381.09970	1.4
387.05176	1.1
395.07571	1.1
405.05914	4.6
407.07712	19.7
408.08127	2.0
413.08710	8.9
414.08817	0.9
423.07220	5.6
425.08740	11.0
426.08865	1.0
449.08575	5.6
450.43103	0.8
451.10388	6.8
525.08069	1.5
533.11285	1.1
543.09503	4.6
544.09796	1.0
559.12402	1.0
561.10339	1.7
569.10809	1.0
575.12079	6.9
577.13422	10.4
578.14117	1.6
587.12128	2.9
695.14117	7.3
696.14844	1.4
713.15173	2.6
714.15216	1.0
739.17163	2.0
747.25330	0.8
865.20721	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	865.1985
Annotation	Unknow
Peak:m/z	Relative Intensity
60.34641	0.6
69.22163	4.8
69.22569	1.5
81.03446	1.2
81.69613	0.7
83.01389	3.0
93.03510	1.5
94.56969	0.5
95.05035	1.8
95.68681	0.5
97.02945	2.7
101.03237	0.6
103.30180	0.6
105.03470	0.6
107.05041	1.4
109.02962	10.5
117.03419	0.8
121.02955	2.6
123.04527	7.8
125.02448	100.0
126.02763	2.0
131.05022	1.3
133.02950	5.1
135.04509	1.7
137.02451	13.0
139.03996	2.4
144.91568	0.6
147.04462	0.7
149.02428	2.2
150.03278	1.4
151.04007	9.9
159.04530	3.2
161.02448	29.6
161.06087	2.0
162.03131	1.6
163.00357	2.0
163.04015	4.3
164.01158	6.7
165.01971	5.1
166.02600	0.6
167.03560	1.6
173.06059	0.9
174.03156	1.3
175.04002	12.8
177.01912	10.2
177.05435	0.8
179.03523	2.4
183.04468	1.0
185.06145	0.7
187.04007	4.0
188.04761	1.1
189.01961	2.0
189.05510	1.0
190.02705	0.7
190.60905	0.7
193.05034	1.0
199.03970	4.2
201.01979	1.2
201.05557	2.9
202.06351	0.9
203.03474	3.1
203.07185	3.9
205.01476	1.2
205.04970	3.5
211.03992	0.8
213.05585	1.0
214.02806	1.0
215.03468	1.4
217.01529	0.6
217.05038	7.8
219.02959	3.3
219.06523	1.1
221.08139	0.9
225.05534	1.0
227.03543	1.4
227.07201	1.0
228.04070	0.8
229.04979	2.1
231.02960	1.6
241.05104	1.3
243.02977	22.2
243.06702	1.5
244.03416	1.6
245.04565	9.7
245.08179	6.0
247.06052	1.2
253.05136	1.0
255.02931	6.1
256.03586	1.5
257.04410	0.9
261.03928	4.7
269.04550	2.7
271.06204	0.9
273.04013	1.5
281.04517	1.9
282.01633	1.4
283.02457	1.3
285.04059	2.0
285.07294	0.7
286.04675	0.7
287.05612	30.2
288.06122	1.7
289.07196	20.5
290.07532	1.5
293.04556	0.7
297.04153	1.0
299.05652	3.7
315.08566	1.0
327.08557	0.7
329.06702	1.3
339.08630	1.4
341.06686	0.9
363.05032	2.2
381.10178	1.4
391.04459	1.3
405.06271	6.5
407.07645	17.9
408.08133	1.7
413.08649	8.1
414.09323	0.8
423.07251	3.2
425.08817	9.1
449.08676	5.7
451.10190	6.6
452.10330	0.8
525.08545	1.7
533.10706	0.7
543.09015	4.0
559.13062	0.8
561.10516	2.2
569.10876	1.3
575.11890	6.9
576.12195	1.1
577.13416	9.6
578.14020	1.4
587.11951	2.1
652.38867	0.7
695.13989	7.5
696.14355	1.2
713.15515	3.1
739.16736	1.9
865.20239	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	865.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03982	0.8
69.60171	4.2
71.01382	1.4
80.96513	1.6
81.03432	0.9
83.01383	4.4
87.00878	0.9
89.02456	0.9
89.03929	0.8
93.03462	1.7
95.05037	1.0
97.02952	2.5
98.19958	1.1
101.02468	1.3
107.05032	2.2
108.02155	0.9
109.02954	12.3
119.03398	0.8
119.05025	2.4
121.02968	2.8
123.04533	7.2
124.01626	0.7
125.02450	100.0
126.02800	2.3
131.05022	1.4
133.02930	5.3
134.03741	3.5
135.04549	2.0
137.02448	14.7
139.04004	2.0
141.16876	0.6
145.02975	1.0
147.04521	1.5
149.02481	4.6
149.06119	1.6
150.03227	1.5
151.04021	12.8
159.04509	2.2
161.02451	30.3
161.06059	1.6
162.02986	1.4
163.00377	2.7
163.04018	6.1
164.01147	5.6
165.01938	5.5
165.05617	1.2
167.03609	1.5
173.06117	1.4
174.03252	0.7
175.04002	15.6
175.07599	0.8
176.04538	1.0
177.01907	10.4
177.05556	1.2
178.02690	3.0
179.03453	2.1
183.04445	0.7
187.04016	3.7
188.04742	1.6
188.31226	0.7
189.01894	2.0
189.05565	1.2
190.02679	0.8
193.05026	5.0
199.04031	3.2
199.07727	0.7
201.01888	1.2
201.05569	1.7
202.06255	0.9
203.03510	2.8
203.07147	3.4
205.01437	1.6
205.04961	3.6
212.04663	1.2
213.05702	1.3
214.02782	1.3
217.01541	0.8
217.05040	7.7
219.02977	3.1
219.06590	0.9
225.05573	1.4
227.03514	1.6
227.07190	1.2
229.05147	2.4
231.02988	1.1
241.05202	1.1
243.02968	17.6
243.06694	1.6
244.03351	0.8
245.04541	10.3
245.08087	6.1
246.04944	0.7
253.05096	1.2
255.02989	5.3
256.03821	2.4
257.04596	2.1
261.03961	4.3
262.04507	0.8
269.04611	2.1
273.04111	1.7
281.04623	2.3
282.01773	1.1
283.02353	1.0
284.02878	0.9
285.04077	2.1
287.05640	27.8
288.06027	2.0
289.07214	20.7
290.07690	1.3
297.04068	0.9
299.05640	3.6
315.08813	1.1
327.05222	1.1
329.06650	1.5
339.08575	1.6
341.06360	1.4
363.04996	0.9
381.10141	1.3
383.08032	0.9
405.06085	3.6
407.07712	19.0
408.08234	1.4
413.08813	5.7
421.08151	2.5
423.06985	3.9
425.08817	11.9
426.09183	1.7
449.08908	5.7
450.09372	1.1
451.10364	8.3
457.09314	1.0
517.11041	1.0
525.08301	1.5
543.09125	4.0
559.12347	1.8
561.10864	1.1
567.53400	0.8
569.11121	1.4
575.11871	4.3
576.11908	0.8
577.13538	9.8
578.05011	0.7
578.13318	1.4
587.12054	3.5
695.13971	6.2
696.14618	1.0
713.15601	2.0
739.16266	1.7
865.20361	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	865.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01873	0.9
69.03460	1.2
71.01382	12.4
72.99310	2.3
73.02943	1.8
75.00876	10.0
81.03446	2.7
83.01390	6.2
85.02954	10.5
87.00861	3.7
89.02422	2.1
93.03446	3.1
94.06609	4.2
95.01386	3.8
95.05027	1.0
97.02981	2.7
99.00896	6.5
101.02419	1.6
106.06632	1.2
107.05027	1.5
108.02171	1.5
109.02950	12.4
113.02454	10.3
115.00383	1.1
117.01959	1.6
121.02956	56.2
122.03793	1.2
123.04520	10.1
124.07639	3.7
125.02447	100.0
126.02767	3.0
131.04938	1.0
132.04526	3.9
133.02963	7.2
134.03752	26.3
134.78932	0.9
135.04486	2.0
137.02449	19.1
139.03984	2.2
144.38959	0.9
145.02861	1.2
147.04526	2.5
149.02475	6.5
149.06093	8.8
150.03239	9.1
150.05597	6.8
151.04018	12.7
159.04497	2.6
160.01694	1.2
161.01128	1.8
161.02454	33.4
161.06030	1.9
162.03201	2.3
163.00348	2.6
163.03986	4.3
164.01135	6.8
165.01907	6.9
165.05582	8.6
167.03500	2.0
168.06668	10.3
173.05992	1.2
175.02515	2.1
175.03960	15.3
177.01926	9.3
177.05510	2.1
178.02721	17.9
179.03355	2.1
180.06641	4.3
187.03984	4.4
188.04704	2.2
189.02023	2.1
189.03999	1.6
191.03513	1.4
193.03342	1.8
193.05055	37.7
194.05396	2.1
195.06644	1.9
199.03992	4.1
201.05510	1.6
203.03464	3.0
203.07143	5.3
205.01450	1.9
205.05046	3.5
213.01752	1.0
213.05576	1.4
215.03491	1.5
217.05017	6.4
219.02960	3.3
225.05496	2.2
227.03580	1.2
229.04964	2.0
230.12923	1.3
231.03000	2.0
231.05013	2.1
239.11818	1.1
243.02975	18.9
243.06651	1.4
245.04500	9.5
245.08279	4.9
247.06143	1.2
249.06131	30.1
250.06441	1.7
255.03096	6.1
255.06653	0.9
255.11539	1.4
256.03717	3.0
257.04437	1.4
261.03967	7.4
269.04434	2.0
273.04010	2.3
281.04468	1.9
283.02386	1.4
285.04077	2.2
285.12262	1.1
287.05582	30.6
287.13971	3.6
288.05859	2.8
289.07181	24.1
290.07602	1.4
293.04434	1.1
299.05649	3.7
304.97110	1.3
313.11984	1.6
329.06293	1.3
331.12958	24.4
332.13177	1.8
337.06946	1.0
339.08737	2.4
341.06662	1.1
363.04855	1.2
371.09818	85.4
372.10138	7.7
383.07437	1.3
387.05069	1.5
391.04449	1.5
405.06055	4.3
407.07703	20.9
408.07938	1.3
413.08722	6.1
414.09320	1.3
423.07178	4.5
425.08762	12.0
449.08704	5.6
451.10287	8.5
475.17130	1.3
493.11267	1.9
493.18210	26.4
494.18594	2.6
525.08167	1.3
543.09082	3.6
559.12390	1.4
561.10248	1.9
569.10565	1.3
575.11890	5.0
576.12262	1.4
577.13605	8.3
578.13806	1.9
585.20007	7.7
587.11749	2.6
677.13397	1.3
695.13934	7.0
696.13806	1.5
739.16492	2.3
747.24915	4.0
802.30469	1.2
865.28009	6.9
866.28021	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	863.5009
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98824	3.0
69.03459	1.3
69.57780	4.7
71.01004	1.1
71.01383	19.3
72.99297	1.8
73.02943	3.2
81.03445	0.9
83.01374	1.8
85.02940	4.4
87.00877	3.3
89.02446	13.9
95.01389	2.3
97.02935	2.7
98.19938	1.3
99.00843	1.4
101.02451	11.5
106.74892	0.7
111.08119	1.1
113.02448	5.0
119.03506	3.4
125.02466	3.1
131.77815	0.6
143.03499	1.3
161.04572	1.5
165.12808	5.5
166.13269	0.8
179.05557	1.3
183.13898	41.1
184.14223	2.3
209.11806	2.3
221.06613	1.7
225.73912	0.6
227.12885	2.9
235.08186	2.3
255.23289	59.4
256.23596	5.8
267.44031	0.6
279.82346	0.6
316.61359	0.7
379.12305	1.9
397.13483	10.2
398.13620	0.7
415.14447	2.6
464.85358	0.6
475.20380	0.7
607.26196	1.0
614.81177	0.8
625.26843	1.0
762.13837	0.7
845.49408	0.9
863.50073	100.0
864.50482	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	863.501
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	0.5
62.13763	0.4
69.03483	0.8
69.95441	1.7
71.01383	16.0
71.01779	0.8
72.99306	1.4
73.02948	2.2
75.00863	0.4
80.02695	0.8
81.03456	2.1
83.01397	1.9
83.05034	5.2
83.39671	0.4
84.02178	0.5
84.36595	0.3
85.02957	3.9
87.00868	3.9
89.02445	15.3
93.03436	0.5
95.01400	1.4
95.05040	1.0
97.02952	3.0
99.00874	0.7
101.01783	0.8
101.02449	13.2
109.02966	0.6
111.04554	0.6
113.02443	7.0
119.03510	3.7
125.02457	5.3
125.06107	0.7
131.03511	0.9
133.05119	0.6
135.08173	0.9
139.04105	0.5
141.01845	0.6
143.03505	2.0
149.04553	0.7
161.04588	3.2
163.11272	3.8
165.12856	2.3
167.03496	0.7
179.05606	3.3
181.12383	0.5
191.10709	0.7
199.06062	0.5
199.49214	0.4
209.11824	100.0
210.12126	6.2
217.07150	0.8
221.06606	1.3
227.12878	13.1
228.13156	0.8
235.08217	4.7
253.09195	0.8
255.23293	55.2
256.23630	4.6
259.08142	0.5
263.07794	0.7
269.24911	0.6
287.07571	1.7
292.25674	0.3
305.08698	1.9
322.53925	0.3
323.09863	1.4
379.12448	7.4
397.13492	37.9
398.13715	3.4
415.14569	7.6
416.14825	0.9
494.95465	0.4
497.61481	0.3
589.25238	0.6
597.25549	0.4
607.26593	0.7
653.37683	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.4277
Annotation	Unknow
Peak:m/z	Relative Intensity
60.01704	7.5
71.01382	72.5
71.48486	2.6
72.99294	2.4
73.02937	23.9
83.01378	9.6
83.76344	2.6
84.67675	2.4
85.02946	30.0
87.00851	3.3
89.02466	13.7
95.01368	5.5
97.02944	3.2
98.19746	6.0
99.00876	7.9
101.02440	47.9
113.02449	31.7
115.76995	2.4
119.03512	4.6
125.02446	7.2
137.02408	3.1
138.06886	5.8
143.03442	4.1
153.09251	15.6
155.10753	5.4
159.03024	5.1
161.04562	25.6
193.05008	3.1
203.05801	3.0
225.14906	24.9
227.16544	4.1
230.46150	3.0
371.20541	3.1
387.20200	15.4
389.21783	53.0
390.21991	7.8
431.22818	100.0
432.23318	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	863.4277
Annotation	Unknow
Peak:m/z	Relative Intensity
60.01704	7.5
71.01382	72.5
71.48486	2.6
72.99294	2.4
73.02937	23.9
83.01378	9.6
83.76344	2.6
84.67675	2.4
85.02946	30.0
87.00851	3.3
89.02466	13.7
95.01368	5.5
97.02944	3.2
98.19746	6.0
99.00876	7.9
101.02440	47.9
113.02449	31.7
115.76995	2.4
119.03512	4.6
125.02446	7.2
137.02408	3.1
138.06886	5.8
143.03442	4.1
153.09251	15.6
155.10753	5.4
159.03024	5.1
161.04562	25.6
193.05008	3.1
203.05801	3.0
225.14906	24.9
227.16544	4.1
230.46150	3.0
371.20541	3.1
387.20200	15.4
389.21783	53.0
390.21991	7.8
431.22818	100.0
432.23318	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	859.4336
Annotation	Unknow
Peak:m/z	Relative Intensity
60.01723	0.8
61.98830	1.1
69.03456	3.1
70.57757	1.9
71.01384	78.9
71.05016	5.8
72.01740	1.5
72.99310	6.0
73.02943	2.1
77.24306	0.7
81.03461	18.0
83.01398	2.4
84.02180	7.1
85.02948	14.5
87.00871	5.0
89.02448	100.0
90.02782	1.8
95.01398	5.0
97.02949	4.6
98.03740	16.1
99.00926	0.8
99.04523	18.8
100.71310	0.6
101.02444	33.0
104.46255	0.6
113.02455	30.8
114.02784	0.8
119.03506	40.0
125.02487	1.2
131.03520	4.7
143.03511	10.5
149.04575	4.6
149.09726	2.5
161.04558	15.5
161.05875	1.2
167.10771	2.9
179.05606	38.3
180.05922	2.0
191.10765	1.9
205.12347	1.4
231.13884	3.0
249.14984	5.3
250.15274	0.9
267.16043	2.2
279.54425	0.6
294.95245	0.7
429.21393	4.4
449.14539	0.7
601.20605	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.2038
Annotation	Unknow
Peak:m/z	Relative Intensity
64.40276	0.4
83.01399	0.5
87.00874	0.5
91.36401	0.4
93.03451	0.8
100.35839	0.4
107.01363	0.7
109.02970	0.6
123.00909	0.5
128.81662	0.4
135.00876	0.6
143.05038	0.6
150.03214	1.7
151.00429	0.7
159.04523	0.5
163.00348	1.2
165.01833	0.6
165.05565	1.1
177.31378	0.4
181.05260	0.4
183.04524	0.5
185.06052	0.8
187.04007	1.4
193.05032	0.4
195.06567	0.6
197.06067	0.4
211.03929	1.4
227.03488	30.6
228.03906	2.5
229.05070	4.7
239.03406	0.5
240.04385	0.5
241.05002	0.7
255.02980	44.8
256.03586	6.9
257.04562	2.4
270.31427	0.5
284.03259	51.8
285.04016	52.1
286.04395	5.1
327.05203	0.5
383.17197	0.5
431.09796	100.0
432.10138	11.0
432.14532	0.3
855.85468	0.4
860.38446	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	859.3968
Annotation	Unknow
Peak:m/z	Relative Intensity
68.20083	4.8
70.48758	4.7
71.01381	66.4
71.05946	4.7
71.06324	4.3
72.99305	5.8
73.02946	53.0
74.89993	4.2
76.18575	4.7
77.17377	4.5
77.30240	4.8
77.44441	4.4
83.01382	20.9
85.02950	15.8
87.00903	5.0
89.02451	22.7
95.01350	6.3
95.05027	4.2
96.00730	5.1
97.02905	5.5
98.20740	10.2
99.00870	5.5
101.02437	52.6
113.02451	41.3
119.03431	7.0
131.03532	6.9
136.05371	5.5
137.02412	8.9
138.06885	13.9
149.04552	12.7
151.07654	12.6
152.08440	37.2
153.09218	64.2
161.04544	28.2
179.10936	5.0
205.12329	33.0
223.13351	15.9
229.90018	5.7
234.71863	4.3
367.17603	100.0
368.18015	12.7
385.11667	5.8
385.18497	13.8
427.19650	93.8
428.19778	12.1
720.10217	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	859.3602
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	1.4
67.26668	0.9
69.54736	7.0
71.01384	40.2
72.99306	5.5
73.02965	1.3
81.07076	1.5
83.01389	3.3
85.02948	9.5
87.00870	3.8
89.01926	1.9
89.02447	27.1
95.01396	2.7
96.95998	1.1
98.19878	1.5
99.00893	1.2
99.04523	15.5
101.02448	16.8
113.02458	11.7
114.70460	1.0
115.00352	1.0
119.03503	8.0
119.04955	1.3
125.02476	1.4
126.12081	1.0
134.22009	0.9
147.04602	1.2
149.04494	0.9
161.13367	6.9
165.05629	1.3
179.05647	1.6
187.11304	2.6
195.08128	1.2
197.09732	1.1
205.12309	11.7
249.11281	8.4
265.09460	1.0
281.13892	8.9
309.23300	1.0
311.09189	1.6
312.09518	1.1
349.25330	2.2
367.26334	2.4
411.25272	2.7
429.17697	10.3
430.17697	1.1
437.23309	1.8
455.24329	4.8
456.24246	1.2
481.22235	3.2
635.30750	1.7
652.46057	1.2
657.40649	1.2
661.28864	4.0
679.29742	17.9
680.30280	2.8
737.06995	1.3
841.34735	3.1
842.35834	1.8
859.36029	100.0
860.36285	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	857.3813
Annotation	Unknow
Peak:m/z	Relative Intensity
60.01702	5.6
61.98815	4.3
71.01378	100.0
71.55361	5.1
71.91575	3.1
72.99291	6.3
73.02940	92.7
74.96886	3.0
82.32246	3.9
83.01386	24.4
85.02957	20.3
85.41936	3.8
87.00877	7.4
89.02438	19.5
89.83923	3.6
95.01374	6.2
97.02972	4.5
101.02444	78.1
113.02455	41.8
116.92869	14.0
119.03485	15.2
121.02898	6.0
125.02439	6.3
131.03532	9.4
138.06845	12.7
139.07643	4.3
143.03485	10.3
149.04582	17.1
151.07657	12.7
152.08429	31.5
153.09193	69.1
154.09642	4.1
161.04543	31.9
167.73772	3.8
179.05634	4.0
205.12305	32.4
206.12758	3.9
216.02101	3.7
221.06627	13.3
223.13409	14.3
340.18344	3.6
361.16653	10.7
367.17569	90.1
368.17920	9.6
385.18646	12.0
427.19641	88.4
428.20074	8.2
445.74985	4.0
743.21954	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	858.5365
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	10.2
69.65442	3.1
70.09840	10.3
76.30751	2.7
82.95414	27.0
84.00911	100.0
84.33334	3.0
84.95106	11.7
88.00460	2.4
91.97220	2.5
130.38594	2.5
136.54829	2.8
184.45622	2.9
204.79904	2.6
205.82217	2.7
236.01373	3.2
277.21689	50.9
278.22131	4.4
315.80759	2.6
396.90280	2.7
476.20605	2.6
483.56232	2.8
539.24219	2.8
656.67615	2.9
796.86481	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	852.5113
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
62.22575	0.3
71.00084	0.2
71.00402	0.4
78.95918	0.7
80.96523	0.9
93.95946	0.2
94.98075	0.3
96.61327	0.3
96.95997	0.2
152.99655	0.3
201.45586	0.2
235.74176	0.2
409.00275	0.2
605.20740	0.3
853.47559	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	855.2567
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	9.8
69.03425	1.7
71.01380	26.1
71.98994	1.6
72.99303	7.3
73.02938	14.0
73.77081	1.4
75.68797	1.5
83.01412	8.5
85.02966	9.0
87.00864	6.0
88.21296	1.8
89.02434	7.2
91.57280	1.7
92.94866	1.7
98.19837	3.5
99.00906	3.5
101.02435	18.4
105.01923	2.1
106.06640	3.9
109.02953	2.6
111.00887	3.0
113.02430	9.3
119.03460	3.1
119.05017	5.6
121.02968	4.4
125.02425	3.1
127.00372	3.4
135.02951	2.7
137.02432	2.4
139.00336	2.3
141.85002	1.7
143.03415	1.8
149.02492	2.0
150.03214	2.2
151.00436	1.9
156.98698	1.8
161.04558	4.3
163.03966	2.5
165.01978	2.3
165.05560	3.1
173.89360	1.7
195.06549	3.9
195.08160	2.4
229.70453	2.0
243.02719	2.2
255.06693	3.2
269.08163	3.9
271.02478	2.2
281.08194	9.5
282.08972	3.4
283.09723	6.4
285.04150	2.3
295.09720	3.1
296.10529	2.2
299.09192	3.8
300.02658	6.4
311.09308	13.5
312.09644	4.0
314.11508	6.5
315.05148	15.5
315.12256	5.5
325.10587	2.4
326.11542	14.1
327.12146	5.5
329.13956	7.0
341.13934	21.0
342.14056	2.1
343.12085	2.2
355.11880	2.6
373.12521	2.3
458.15787	7.3
461.10834	5.8
470.15768	5.6
471.15234	1.8
473.18347	26.9
474.18427	4.5
476.16809	6.2
485.18192	27.5
486.18399	3.2
488.17010	6.5
491.19223	31.2
492.19495	3.1
503.19247	35.0
504.19589	4.8
515.19385	2.5
527.19312	4.5
533.20239	100.0
534.20532	15.4
545.20258	91.5
546.20673	13.6
563.21350	16.0
564.21588	4.0
575.21338	7.5
587.21161	7.0
605.22241	3.0
665.16718	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	850.4957
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	100.0
69.90204	1.0
73.84014	0.3
78.92804	0.3
78.95926	0.4
87.42113	0.3
89.03484	0.3
97.48544	0.3
97.97073	0.3
105.12531	0.3
118.20541	0.3
145.34225	0.3
163.33340	0.3
194.72780	0.3
196.89600	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	851.3007
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	3.1
65.29027	0.7
70.56824	2.3
71.01374	5.7
71.98719	0.8
73.02947	1.5
78.98602	4.1
79.95738	7.2
80.96517	34.3
83.84360	0.7
85.02962	2.5
87.00869	1.6
94.98089	10.7
96.96024	1.3
97.02959	0.8
98.93884	0.7
101.02434	3.3
101.79662	0.8
106.98087	2.2
119.05040	1.9
121.02957	6.8
122.97598	1.5
125.02449	2.5
134.97566	2.7
148.90074	0.9
148.99104	3.4
152.98589	3.6
163.04002	2.5
164.98618	6.1
185.41690	0.8
185.69490	0.7
188.06242	0.8
203.75009	0.7
206.99654	1.5
225.00749	12.9
225.02856	0.5
299.04376	5.8
421.08087	100.0
422.08438	9.7
525.34259	0.9
658.22858	0.8
854.93903	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	852.5113
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
62.98527	0.2
69.82667	0.3
69.83077	0.3
81.05256	0.1
128.32277	0.1
152.38043	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.514
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
62.98516	0.3
89.36642	0.2
128.42282	0.2
129.10379	0.4
200.14140	0.2
204.00864	0.2
207.15034	0.2
230.01103	0.2
242.18761	0.3
295.21481	0.2
304.59982	0.2
451.13727	0.2
465.51697	0.2
603.58490	0.2
719.39514	0.2
748.77466	0.2
782.51831	4.2
782.65131	0.3
783.51752	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	847.3031
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	4.2
61.98835	2.7
67.01887	1.0
71.01385	4.0
71.55212	0.6
71.56013	0.5
72.99306	1.6
73.02963	0.8
75.00868	0.6
78.87875	0.6
83.01383	1.2
85.02972	1.9
87.00888	2.3
88.98741	0.6
89.02467	1.3
89.32191	0.5
93.03487	0.7
95.01404	1.0
96.96001	1.1
99.00902	0.6
99.04551	0.7
101.02470	1.8
109.02972	2.4
113.02460	1.7
116.35092	0.6
119.03510	0.7
123.00865	1.5
125.02449	1.3
127.00354	0.8
135.03004	0.7
135.04533	1.0
136.01657	0.8
137.02446	19.0
138.02791	1.1
139.00404	0.8
139.04016	0.7
147.04498	0.6
149.02426	1.2
150.03291	0.9
151.00381	8.4
151.04060	1.5
152.01076	0.6
152.04829	0.8
158.03748	0.7
163.04034	1.0
164.01103	1.2
165.01932	91.4
166.02708	19.4
167.03288	1.1
175.02573	0.7
177.01930	2.0
179.03502	13.3
179.07124	0.8
180.04283	53.9
181.05057	22.6
182.05421	0.7
190.06367	0.7
192.04266	1.3
193.05165	1.1
194.05864	2.1
195.03030	3.5
195.06621	75.0
196.06984	4.9
203.03664	0.7
205.05034	1.7
207.06628	0.9
210.05350	12.5
211.05838	0.7
220.07349	1.1
225.07681	100.0
226.07991	7.1
237.41185	0.6
295.09689	1.0
327.08875	0.8
359.11520	0.9
360.91806	0.8
387.09976	3.3
387.15030	6.1
388.11096	0.9
402.13138	2.1
403.13657	1.0
417.15561	30.9
418.15848	4.2
595.21857	9.3
596.22217	1.6
613.22626	1.4
643.23932	12.1
644.24426	4.1
847.43738	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	836.5161
Annotation	Unknow
Peak:m/z	Relative Intensity
59.53176	0.1
61.98829	100.0
62.15213	0.1
62.16420	0.1
62.45760	0.1
62.98502	0.1
71.17165	0.3
171.96783	0.2
184.91335	0.1
235.58223	0.2
252.32159	0.1
267.66257	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.412
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00593	2.4
59.01377	52.2
59.49667	1.2
60.23237	1.3
61.98830	5.7
69.03451	1.6
70.00314	4.1
70.00729	2.1
71.01379	57.3
72.01747	1.2
72.99298	5.0
73.02954	8.9
75.00881	1.9
76.50477	1.5
81.03449	1.1
83.01397	8.5
84.04663	1.4
85.02950	13.0
86.00105	1.8
87.00876	16.3
89.02441	41.8
92.61395	1.3
95.01367	4.8
97.02948	6.0
99.00885	2.8
101.02435	42.1
101.57272	1.1
111.00890	1.8
113.02451	28.9
115.03945	1.9
119.03467	7.9
121.02928	1.7
125.02448	15.6
131.03508	7.8
143.03493	6.1
149.04501	1.8
161.04549	16.6
179.05586	13.0
203.05556	2.2
221.06602	5.3
235.08202	5.5
253.09315	8.7
263.07745	3.1
275.48816	1.2
277.21722	29.3
278.22003	3.2
298.40555	1.5
323.09808	3.8
383.11798	2.2
397.13480	48.5
398.13693	3.6
415.14621	19.2
416.14688	2.0
439.14365	2.3
559.18750	100.0
560.19171	12.7
577.19885	33.5
578.19751	2.7
710.52716	1.4
760.70544	1.4
826.03650	1.5
837.41992	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	838.5318
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	100.0
62.97576	0.2
70.75979	0.2
70.76300	0.3
71.10072	0.2
78.95904	0.8
80.96494	0.4
87.18583	0.2
93.51887	0.1
93.91692	0.2
93.97301	0.2
102.12217	0.2
279.23257	0.4
280.23856	0.2
287.38281	0.2
352.17932	0.2
505.45453	0.2
546.35156	0.2
838.44159	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	841.3691
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	1.6
71.54632	0.3
73.02943	1.9
75.64309	0.2
99.92583	12.5
100.92622	0.4
102.30558	0.3
109.87096	0.3
114.93376	0.4
116.92861	100.0
116.97235	1.8
117.01929	3.0
117.92878	5.1
139.99744	0.3
397.04117	0.3
581.43060	0.3
640.57288	0.3
655.45392	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	841.4872
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
70.38184	62.7
70.38525	23.7
74.80115	18.2
80.96540	28.0
125.75712	22.3
194.85129	19.9
230.71896	20.2
236.35773	24.0
246.90666	20.0
277.21704	33.7
401.97421	26.2
439.94513	20.0
582.96332	22.7
644.34210	20.8
654.43402	19.5
758.19659	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	843.3439
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	19.5
69.29844	11.8
71.01377	4.6
72.99305	1.6
73.02966	1.4
75.00870	2.4
93.03455	9.1
96.99298	2.2
98.20660	3.1
101.02442	1.4
113.02428	2.2
119.05042	7.7
123.04552	1.4
130.04213	1.7
131.05069	3.0
132.05785	2.4
143.05026	4.9
147.04556	3.7
163.04027	4.1
169.12605	1.4
195.08162	15.3
196.08543	1.4
207.08209	2.9
219.08215	2.9
221.09694	26.8
222.10049	2.2
223.11249	14.3
224.11482	1.3
245.13994	1.5
247.07620	1.5
248.08405	3.8
249.09164	13.6
250.09569	1.8
293.08264	2.8
429.21338	2.1
473.14520	100.0
474.15024	15.1
488.00928	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.1727
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	2.7
61.98832	1.9
67.01881	1.6
68.99823	4.2
69.03456	2.3
69.55342	3.1
71.01386	11.6
71.81056	0.4
72.99291	2.7
73.02943	1.7
75.00870	2.3
77.71449	0.5
79.01881	0.6
79.05152	0.4
81.03447	1.6
83.01387	6.3
83.01876	0.5
85.02955	4.4
87.00880	13.1
89.02449	1.2
91.05556	0.4
93.03433	1.0
95.01392	2.5
96.96003	0.7
96.99306	3.4
97.02945	2.6
99.00888	4.2
101.02440	1.5
103.00347	0.6
103.05522	1.1
105.01929	1.0
105.03420	0.5
106.69240	0.5
108.02130	0.6
109.02952	2.6
111.00883	9.8
111.04517	0.7
112.98806	2.1
113.02451	5.0
115.00351	3.2
115.05547	3.8
116.92804	0.5
117.01958	0.9
119.05019	1.3
121.02943	1.5
123.00888	2.1
124.01652	0.5
124.98785	0.6
125.02441	4.1
126.35205	0.4
127.00366	9.6
129.01947	4.8
129.07120	0.7
131.04987	0.6
135.00822	0.6
137.02408	3.1
139.00375	8.8
139.03993	0.5
141.01939	3.5
142.99855	0.8
145.01469	2.2
147.04524	41.0
148.04832	1.6
151.00417	0.9
153.01930	3.0
154.99876	4.6
155.03510	0.5
156.00494	0.5
157.01430	6.0
159.02922	0.6
163.04036	0.4
165.01978	2.0
166.99886	3.7
167.03462	0.7
169.01392	3.5
175.02483	8.5
181.01405	3.0
183.02953	1.9
191.08707	0.7
193.01508	0.5
199.02496	4.1
205.10246	2.3
207.11745	4.7
208.12074	0.5
209.00922	1.2
211.02477	14.2
212.02934	0.7
215.01862	0.5
221.00780	0.5
229.03516	5.2
233.09686	8.3
234.10132	0.5
251.10742	12.3
252.11089	1.0
269.02972	2.3
277.08792	3.1
278.08978	0.5
287.04083	9.3
288.04532	0.7
295.09747	100.0
296.10101	11.0
323.04230	0.5
337.10983	0.5
453.12021	0.7
565.13556	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.397
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	30.8
61.98841	3.9
67.21701	0.9
71.01013	1.1
71.01385	19.7
72.99303	1.9
73.02942	2.4
78.03710	0.8
81.03445	1.2
83.01381	3.2
84.95985	0.9
85.02960	5.4
87.00867	4.1
89.02448	13.8
95.01381	1.4
96.96002	1.9
97.02889	1.7
99.00873	1.8
101.02446	12.9
109.02901	0.9
111.00858	2.2
111.04554	0.9
111.08164	1.5
113.02444	6.1
119.03478	2.6
120.83705	0.9
125.02429	4.7
127.00388	1.0
127.49294	0.7
131.03481	0.8
133.15555	0.8
139.00365	1.4
143.03487	1.4
147.04546	4.8
148.07639	1.1
157.01396	1.0
161.04549	1.3
165.12848	12.7
166.13202	0.7
179.05479	1.0
183.13896	100.0
184.14233	6.1
209.11827	1.9
211.02536	1.3
220.06068	1.1
221.06607	1.7
227.12833	7.1
233.09714	1.3
235.08144	1.0
251.10789	0.8
270.96750	0.9
295.09766	11.9
296.10077	1.7
332.63431	0.8
397.13562	2.2
483.77570	0.8
607.25690	1.1
625.26984	2.6
791.40881	5.8
817.38531	4.2
835.39667	92.2
836.40045	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	831.503
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	1.5
61.98826	1.3
62.96395	0.9
68.11891	0.8
69.37497	6.0
78.95905	96.4
80.96502	4.3
96.96965	21.4
122.97518	0.7
134.98512	1.4
152.99586	26.1
189.59250	0.8
220.86908	0.9
223.00116	8.8
238.14471	0.7
241.01184	38.9
242.01634	1.9
255.23280	67.7
256.23608	5.9
259.02194	2.5
277.21716	39.6
278.22198	5.3
279.23300	1.6
297.03879	3.1
315.04843	1.8
391.22504	10.0
392.23126	1.1
413.20959	2.0
432.53027	0.9
444.34558	0.9
479.01913	0.9
535.16583	0.8
553.27838	6.3
554.28131	1.3
554.80737	1.0
571.28992	1.2
575.26050	1.2
616.43231	0.9
793.52600	1.0
831.50232	100.0
832.50543	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	833.5423
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	16.0
61.98825	2.9
65.35724	0.2
70.65642	0.3
70.65983	0.7
71.01389	1.7
78.95898	0.5
85.02975	0.4
88.37759	0.2
89.02438	0.7
101.02462	1.3
113.02456	0.6
119.03454	0.3
161.04529	0.3
163.87744	0.3
178.29385	0.3
235.08215	1.6
253.09303	4.7
255.23137	0.5
275.20187	0.4
277.21716	100.0
278.22052	9.5
439.79791	0.3
448.12668	0.3
513.30756	0.5
833.51813	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	834.1939
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	2.4
59.12192	0.8
61.98824	4.6
65.00343	0.8
69.23528	2.9
69.23952	4.4
85.02978	0.9
89.02470	1.0
94.22984	0.8
101.02444	0.8
107.01396	1.4
109.02938	1.0
119.05042	3.9
121.97540	0.7
124.11460	0.7
125.02437	1.6
150.03198	0.8
151.00378	4.4
162.98557	0.7
170.16849	0.7
175.00407	1.2
178.99843	0.8
180.85464	0.8
181.05064	1.2
197.06046	0.8
199.03976	2.0
215.03363	1.8
223.06210	0.9
226.02339	0.7
227.03433	2.4
243.02986	2.6
255.03033	1.6
271.02475	48.9
272.02823	5.7
274.17456	0.9
299.01978	100.0
300.02512	18.4
301.03442	8.9
302.03897	0.9
462.08044	21.3
463.02646	0.9
463.08493	4.5
489.13760	1.0
551.62970	0.8
609.14423	4.6
610.14886	1.2
771.19873	64.0
772.20300	15.7
818.38910	1.0
825.49640	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.2776
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	1.1
63.10822	0.4
69.46280	3.2
71.01394	1.3
74.76802	0.4
79.03786	0.5
85.02937	0.5
88.98820	1.8
89.02450	0.6
96.96080	0.5
97.13508	0.4
100.31444	0.5
109.66507	0.4
113.02462	0.8
135.48216	0.4
137.02441	2.7
139.00383	0.8
145.02959	1.7
147.04469	1.2
151.04008	3.7
152.04753	0.7
153.01920	0.7
153.05531	0.6
161.02473	0.5
162.03304	0.8
162.54692	0.4
163.03989	3.2
165.01912	0.9
166.02696	0.5
167.03572	0.5
167.07236	0.4
173.02458	0.6
174.03183	2.0
175.03986	11.8
176.04773	2.2
177.05545	2.0
179.03508	1.0
180.04285	6.7
181.04941	0.9
188.04788	3.0
189.05579	6.4
190.06349	16.4
191.03540	0.7
191.07130	11.9
192.04213	0.9
192.07397	0.9
193.05063	7.9
194.05811	5.8
203.07143	1.5
205.08696	16.4
206.05705	0.5
207.06638	6.4
208.07397	12.2
209.07883	0.8
222.08945	2.4
223.09763	1.5
313.03363	1.4
315.05063	1.2
344.33353	0.5
359.11401	0.9
362.18817	0.4
374.13733	3.0
383.82541	0.4
389.16052	100.0
390.16321	10.1
419.17105	30.8
419.23022	0.8
420.17368	4.2
443.19385	2.9
461.10883	0.9
501.94647	0.5
536.52063	0.4
563.21527	0.8
607.17169	2.3
608.16821	1.0
623.24023	0.6
706.78668	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.5013
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01706	0.2
60.15129	0.2
61.98831	100.0
71.17393	0.5
71.17741	0.3
78.45029	0.2
98.16532	0.2
101.37886	0.3
165.08693	0.3
196.89622	0.3
200.56805	0.2
437.99802	0.3
579.35571	0.3
595.12268	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	823.3573
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	9.6
62.57436	1.4
65.81950	1.4
71.01392	5.1
71.54736	1.9
72.99303	2.1
78.17346	1.2
87.00931	1.8
89.66654	2.0
96.96011	11.4
98.95596	4.0
99.00890	2.6
99.92587	50.4
100.93378	3.3
115.92083	49.8
116.92158	4.1
116.92861	100.0
117.92886	5.3
123.86144	1.7
126.94984	1.8
127.00333	1.8
141.93628	3.3
142.94374	2.9
170.93890	2.2
176.56929	1.7
183.13898	14.8
226.96605	2.5
242.96069	2.0
244.97649	1.6
276.50748	1.7
277.21671	10.7
279.23236	2.1
285.00735	1.7
296.31696	1.4
309.04382	1.9
318.00589	4.4
332.22372	1.5
343.67456	1.7
353.06644	2.4
367.08505	5.5
497.11179	3.5
515.12225	3.6
549.95227	1.6
568.73016	1.6
624.73090	1.6
723.43048	12.7
761.35767	2.0
787.33459	13.6
788.34174	3.1
823.35809	13.4
824.36578	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	825.2097
Annotation	Unknow
Peak:m/z	Relative Intensity
58.33124	0.3
59.01385	0.5
61.98830	0.7
63.02391	0.4
65.00362	0.5
69.32239	2.1
71.01364	0.4
72.99294	0.7
83.01377	1.0
85.22256	0.3
90.20634	0.3
93.03483	1.2
94.70908	0.3
107.01373	0.6
135.02992	0.6
141.07153	0.4
143.05003	0.9
151.00383	0.7
154.04196	1.6
155.04948	0.4
157.06520	0.4
159.04468	0.9
163.00380	1.0
165.01959	0.7
167.05002	0.3
168.05730	0.7
168.12616	0.3
169.06567	3.7
171.04512	0.8
173.02426	1.0
183.04443	0.5
185.06085	3.0
187.04025	2.3
188.04320	0.4
189.05565	1.7
190.06052	0.4
195.04500	0.3
198.03287	0.5
199.03928	0.5
199.93694	0.4
201.05600	0.7
211.04036	0.5
213.05540	3.8
214.02716	1.2
214.05956	0.3
215.03419	1.0
227.03502	6.1
228.04059	0.3
229.05003	2.8
239.03517	1.2
241.04987	1.0
243.02919	2.4
255.02971	8.9
256.03610	1.4
257.04541	3.2
267.02982	0.7
283.02509	4.9
284.03214	4.6
285.04028	100.0
286.04398	8.0
406.01663	0.3
417.15793	0.4
430.09094	0.5
431.09796	26.6
432.10120	3.6
593.15375	0.4
635.16168	13.0
636.16522	2.4
739.20709	0.7
781.21960	18.1
782.22205	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	825.4925
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	100.0
69.82388	95.7
104.26299	20.1
105.63284	18.8
129.68047	18.7
187.96510	16.4
198.41563	17.6
238.20473	15.8
247.19081	17.3
277.21881	35.0
288.63263	16.9
355.80261	17.1
731.61499	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	827.2612
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	1.5
61.98824	0.6
71.01384	1.6
71.55246	0.7
72.99316	0.7
74.02480	0.7
85.02937	0.7
103.33780	0.4
109.02956	1.2
121.02981	0.7
123.00879	1.1
125.02430	0.5
135.03041	0.5
135.57921	0.4
137.02440	5.1
139.00421	0.5
140.55531	0.5
149.02475	0.9
150.03171	0.7
151.00363	11.7
151.03984	1.0
152.01059	1.0
152.04776	1.2
162.59360	0.4
165.01842	0.5
165.05498	0.7
166.02715	41.5
167.03096	2.4
175.03943	0.6
177.01935	2.3
181.05064	61.5
182.05389	2.6
184.03751	0.6
189.05659	0.8
193.05135	0.7
203.08235	0.7
205.08740	1.1
207.06578	1.1
223.06053	0.8
240.17868	0.4
245.09248	1.8
271.02588	0.5
300.02844	0.7
329.10547	0.5
359.11429	1.2
387.10785	8.8
387.15549	0.6
388.11136	1.1
402.13159	7.1
403.13721	1.6
417.15527	100.0
418.15891	13.6
418.21454	0.8
561.19153	0.7
609.14264	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	818.4544
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
62.98526	0.2
69.89053	0.3
69.89465	0.2
80.96528	0.4
109.07383	0.1
117.49108	0.1
145.53729	0.1
215.09065	0.1
293.46741	0.1
674.30737	0.1
819.43060	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	818.4954
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	9.5
67.65730	1.0
82.06615	2.2
87.05624	4.8
98.19875	3.2
112.07642	1.7
121.04086	2.1
127.43904	1.4
129.10345	15.1
130.08759	2.4
139.08791	3.3
140.07162	4.1
146.06186	1.7
155.08257	3.2
164.09531	4.8
165.10309	5.6
196.65663	1.2
197.16594	2.1
200.14046	3.2
207.14989	15.1
224.17674	7.6
225.15981	2.3
241.13405	3.0
242.18719	11.7
259.14462	4.9
268.16748	1.6
274.90475	1.0
276.17123	1.9
295.21252	5.9
297.15189	1.3
299.15051	1.1
308.38397	1.3
312.17090	2.7
313.22513	5.7
329.19791	1.2
330.18240	2.5
337.26135	6.2
355.27036	3.4
433.96381	1.3
468.35129	2.0
475.03580	1.1
539.39038	3.5
573.37549	2.5
782.51855	100.0
783.52039	25.0
818.49237	8.3
819.50940	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	821.4183
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	22.4
61.98813	9.1
71.01382	21.6
72.99310	3.7
73.02959	3.0
83.01378	3.3
85.02945	6.0
87.00880	4.8
88.32770	2.1
89.02438	18.6
96.95998	4.0
97.02969	3.3
101.02443	16.1
107.04994	1.9
113.02483	5.2
119.03449	2.6
125.02440	5.8
140.54732	2.1
165.12805	9.4
168.93983	2.3
181.74123	2.2
183.13895	69.6
184.14191	4.7
195.13850	11.7
209.11485	2.2
211.13295	2.8
213.14938	49.7
214.15291	4.0
227.12808	7.0
268.91116	2.5
369.31091	2.2
397.13245	10.0
410.94916	2.2
415.14575	3.0
420.67444	2.5
554.46118	2.7
821.41779	100.0
822.42072	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	817.3835
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01703	1.3
61.98827	7.5
70.55600	1.5
71.01401	2.8
76.66279	0.6
79.95739	0.7
80.96517	5.7
81.95267	0.7
82.96106	0.9
83.47492	0.6
85.02956	0.8
87.00877	0.8
89.02452	1.9
94.98076	1.1
96.99366	0.7
97.02936	1.4
101.02460	1.6
105.95713	0.7
113.02512	1.1
119.03490	0.9
125.02386	0.8
141.01701	51.4
142.02107	1.4
142.05109	2.3
162.75945	0.7
165.01814	0.8
210.03062	0.7
214.70869	0.9
225.00763	0.9
235.08421	0.7
277.21695	6.1
290.01379	0.7
359.21997	4.1
360.22269	0.8
369.12335	0.6
397.13483	11.6
415.14670	2.9
419.11871	2.6
437.12689	4.7
438.74591	0.7
469.06866	1.3
697.34906	1.7
816.51495	1.0
817.50647	3.6
838.39343	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	818.1998
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	0.5
61.98830	100.0
62.12623	0.3
67.01451	0.3
83.80817	0.3
95.48007	0.3
101.98637	0.3
107.01416	0.5
139.27017	0.3
151.00407	1.1
152.00826	0.3
183.04579	0.6
192.30992	0.3
193.69397	0.3
211.04051	0.4
219.02426	0.3
224.25140	0.3
227.03467	3.8
228.04131	0.4
255.02979	16.1
256.03354	1.6
283.02472	29.1
284.03201	19.9
285.03976	13.2
285.07104	0.7
286.04526	0.8
326.04498	0.7
327.05234	0.3
339.04865	0.4
446.08548	4.8
447.09360	1.1
481.35684	0.4
593.15112	36.5
594.15533	6.6
635.15619	0.3
755.20392	11.8
755.33344	0.6
756.20917	2.7
854.51904	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	818.2
Annotation	Unknow
Peak:m/z	Relative Intensity
58.59066	0.3
59.01382	0.8
61.98831	100.0
69.47205	1.9
72.67743	0.3
85.02977	0.4
98.19936	0.6
101.02524	0.4
103.13377	0.3
107.01393	0.3
119.05008	0.5
126.70874	0.3
151.00362	1.3
151.01468	0.3
163.03990	0.7
178.99873	0.5
195.13818	0.8
210.11760	0.3
211.04083	0.5
227.03450	4.0
228.03932	0.5
239.03398	0.5
255.02991	15.6
256.03384	1.7
262.52814	0.3
283.02484	26.9
284.03220	19.3
285.03943	5.9
286.04453	0.5
326.04419	0.7
327.05392	0.4
429.08392	0.5
446.08670	3.2
593.15082	38.8
594.15424	6.3
635.16388	0.5
755.20337	10.2
755.33514	0.6
756.20599	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	817.1837
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	11.6
61.98812	0.8
65.00314	0.8
69.20737	5.9
71.01364	1.4
72.99297	1.7
89.02453	0.6
96.96028	0.9
98.20602	1.2
101.99693	0.7
103.00375	0.9
107.01405	1.1
108.02139	1.1
116.26849	0.6
119.05000	1.8
135.00821	0.7
147.04527	16.2
151.00372	3.9
165.05553	11.9
178.99861	3.4
193.05025	0.6
207.06595	6.4
210.29042	0.6
211.03972	0.7
227.03374	1.9
243.02988	7.2
244.03239	1.1
254.02164	1.7
255.02966	20.6
256.03262	1.2
271.02451	39.0
272.02859	4.2
281.73740	0.6
299.01831	1.7
300.02734	93.9
301.03293	15.0
302.03754	0.8
463.08636	1.7
565.11969	100.0
566.12317	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	817.383
Annotation	Unknow
Peak:m/z	Relative Intensity
57.19484	0.7
59.01379	100.0
60.01706	1.1
61.98829	20.5
63.35712	0.7
65.99681	0.7
69.20693	3.6
69.21120	3.9
70.70669	0.6
71.01386	2.1
80.96510	1.1
87.00922	0.8
89.02464	2.0
96.99314	2.2
97.02985	1.2
97.26832	0.7
101.02468	1.5
101.73589	0.7
113.02438	1.1
125.02438	1.0
137.26265	0.8
141.01704	50.1
142.02068	0.9
142.05077	3.5
187.66463	0.7
194.39267	0.8
197.44365	0.7
211.71469	0.7
235.08243	1.5
276.35364	0.7
277.21674	6.4
359.22058	3.9
370.82568	0.8
397.13416	10.2
398.14319	1.1
415.14743	3.3
419.12018	2.6
437.12796	4.0
469.06717	2.0
607.40594	0.8
697.34595	1.5
719.18787	0.8
749.97699	0.8
754.93921	0.9
817.51489	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.2252
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	11.1
59.61517	1.4
61.98805	1.4
65.00317	1.6
65.27486	1.8
71.01366	5.2
71.54990	1.2
72.16578	1.5
74.61929	1.5
83.01397	4.1
88.14091	1.3
88.98815	1.4
89.02447	4.5
101.02467	3.5
106.50903	1.3
107.01373	6.9
113.02438	1.8
125.02441	2.1
144.00546	1.5
150.03142	2.6
151.00357	29.7
161.08162	6.3
162.76453	1.3
163.00380	1.5
164.01103	1.8
179.03561	1.7
179.05516	2.0
209.08199	2.0
211.04016	2.3
213.05644	3.5
213.07626	1.5
214.67883	1.6
227.03577	1.9
229.04948	1.6
241.04913	1.7
255.02971	20.0
257.04614	8.6
283.02490	42.9
284.03226	46.3
285.04028	66.3
286.04349	5.8
297.03995	3.2
365.17969	3.7
390.77377	1.9
393.60007	1.5
430.09164	8.7
431.09772	100.0
432.10056	14.2
447.03229	2.9
447.09253	52.9
448.10098	6.7
473.10513	2.7
485.90186	1.5
593.15112	93.7
594.15338	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	815.478
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	5.4
61.98813	5.6
71.01369	8.7
71.43784	2.2
72.99274	1.4
76.18983	1.6
78.95916	3.1
78.98602	2.7
79.95718	5.1
80.96523	33.9
83.05006	4.8
85.02925	1.8
87.00871	2.1
88.98786	2.7
89.02445	4.0
89.51005	1.4
94.54580	1.4
94.98078	7.4
96.96021	1.6
101.02441	4.8
106.98089	1.5
110.04744	1.4
112.64268	1.3
113.02369	1.6
122.97538	1.7
134.97575	2.5
148.99130	3.2
152.98621	4.4
163.11316	4.0
164.98650	4.6
209.11826	100.0
210.12146	5.3
225.00717	7.8
227.12862	13.4
235.08217	2.0
253.09273	9.1
255.23224	2.5
277.21704	77.1
278.22052	9.1
279.23184	1.9
367.93597	1.5
445.20734	1.9
768.36395	1.5
815.49878	29.7
816.50305	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	815.4987
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	1.7
63.96225	1.8
66.56918	0.6
69.03452	1.1
70.00160	2.7
70.00574	1.5
71.01378	9.7
73.02956	1.6
78.95897	1.6
78.98590	7.8
79.95734	17.1
80.96518	100.0
81.03439	0.9
85.02933	3.4
87.00883	3.3
91.48001	0.9
92.34890	0.6
94.98086	18.9
96.95998	1.8
97.02969	1.9
101.02425	3.4
106.98074	3.0
122.57630	0.7
122.97601	3.5
125.02425	3.1
125.03217	0.7
127.04017	1.2
134.97580	7.5
136.99149	1.6
146.98964	0.7
148.99129	9.3
152.98656	5.3
164.98643	14.4
170.57915	0.7
206.99698	2.0
208.62325	0.7
225.00731	15.8
255.23201	1.5
277.21729	2.0
319.57120	0.6
359.72882	0.6
387.25131	0.7
449.92917	0.8
458.46747	0.8
537.27576	1.2
559.25220	1.2
638.33746	0.7
727.07959	0.7
815.49811	88.1
816.50140	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	809.2881
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
60.01725	1.0
61.26374	0.5
61.98832	3.4
62.39924	0.4
63.51905	0.4
67.72017	0.5
69.91857	2.7
71.01393	1.3
72.99291	0.5
73.02942	0.5
83.01369	0.6
86.99460	0.5
96.96028	1.0
97.32677	0.5
101.02473	0.5
112.93835	0.5
113.02454	0.7
116.92879	0.9
121.02972	3.4
130.56157	0.5
147.00453	0.4
234.89560	0.5
245.63672	0.5
295.09891	0.8
734.43549	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.4975
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98790	55.4
64.85068	44.1
70.99565	98.7
72.13007	40.2
76.82850	39.0
81.25936	41.0
83.10723	45.1
204.28487	47.5
277.21637	100.0
381.28036	50.0
485.12997	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	810.529
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	1.3
57.35705	0.7
59.01379	0.8
61.98824	2.0
71.54677	0.9
73.68066	0.7
76.54550	0.7
78.95907	8.8
97.06573	1.7
98.47765	0.7
101.95908	0.7
103.01691	0.6
121.10228	7.7
123.08107	0.9
125.09734	5.1
141.12878	0.8
152.99557	1.0
168.04402	1.1
179.20039	0.8
185.11819	12.3
197.11839	3.1
209.11852	1.5
211.13351	1.1
224.06937	3.6
247.13676	0.8
247.20651	0.8
279.23300	35.0
280.23694	3.4
291.19666	100.0
292.20038	8.2
296.35672	0.8
297.15320	1.8
343.25098	0.7
431.73413	0.7
441.16397	0.8
504.23300	1.5
504.30939	28.2
505.31329	4.6
516.27087	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	814.257
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	4.2
59.01382	14.4
61.98832	68.5
65.68132	1.9
70.42661	2.0
71.01373	3.7
71.55248	2.1
72.26628	1.6
76.63066	1.7
85.02969	1.9
87.00880	2.9
90.03504	2.7
92.05049	9.2
94.03015	2.9
96.96014	3.2
102.27632	1.7
104.05077	9.9
116.05072	17.1
119.05055	2.5
121.02972	20.0
122.06061	1.9
125.02460	3.8
130.06665	13.1
131.03749	2.0
132.04567	21.0
132.08195	72.3
133.08679	2.0
146.06105	8.5
148.07693	100.0
149.08031	7.0
159.83748	1.6
163.03960	2.1
164.07146	5.2
176.07169	72.4
177.07509	5.2
190.05089	14.2
191.05841	6.9
192.06714	13.2
194.08212	71.2
195.08476	5.1
220.06149	59.0
221.06503	2.9
238.07196	98.3
239.07474	5.9
280.08209	27.6
281.08780	1.9
295.09641	2.4
551.17969	4.2
772.24707	4.8
773.24677	2.6
787.89117	1.9
814.24982	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	803.407
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00595	0.8
58.45224	0.4
59.01381	11.2
61.98839	3.3
64.33746	0.5
69.03458	1.2
70.10835	1.6
70.11202	0.8
71.01382	9.3
72.99303	1.1
73.02932	2.2
74.95223	0.4
74.96929	0.4
83.01381	1.2
85.02940	1.9
87.00880	2.2
89.02441	8.2
91.96205	0.5
93.76214	0.5
95.01357	0.7
96.96012	1.5
97.02941	1.7
99.00853	0.7
99.15479	0.5
101.02441	6.9
113.02435	3.7
116.92831	0.6
119.03508	2.4
123.04421	0.6
125.02461	3.0
126.75171	0.5
143.03523	0.8
153.64774	0.5
161.04550	1.9
167.14400	0.5
171.34100	0.5
179.05600	1.9
183.13895	6.3
189.32803	0.5
193.12340	2.2
211.13382	100.0
212.13737	6.7
221.06621	0.6
226.13678	0.5
235.08243	2.0
253.09166	0.6
287.07910	0.9
305.08801	0.8
323.09750	1.1
379.12402	4.3
397.13498	22.9
398.13870	1.9
415.14471	4.8
497.99823	0.5
545.56927	0.6
591.26770	3.9
592.27972	0.6
609.27472	3.8
756.99542	0.6
768.58142	0.6
785.40222	0.6
803.43738	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	804.4386
Annotation	Unknow
Peak:m/z	Relative Intensity
56.70429	0.1
57.76229	0.2
61.98828	100.0
62.35615	0.2
62.98516	0.2
71.39492	0.3
80.96500	0.2
113.33537	0.2
590.05127	0.3
715.94177	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.5105
Annotation	Unknow
Peak:m/z	Relative Intensity
56.97134	0.5
56.99173	0.5
57.03444	1.2
59.01372	2.0
61.98833	2.4
69.20661	3.7
95.05034	1.3
98.65283	0.5
111.08167	7.5
113.09688	0.6
121.20088	0.5
135.11752	0.5
137.09787	0.5
153.73976	0.5
167.10826	1.5
176.90836	0.5
177.12837	1.7
179.10791	1.6
195.13904	5.9
247.20714	1.9
253.09256	1.0
273.18625	1.0
277.21716	5.8
291.19666	100.0
292.19992	11.2
314.90985	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	808.41
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	4.1
61.49765	0.7
61.98829	100.0
63.96059	1.0
64.95924	0.9
71.01388	1.8
71.54912	1.1
72.03191	0.9
73.02966	0.9
81.77290	0.8
82.95415	1.6
101.02457	1.3
141.01749	1.0
165.12927	1.1
183.13892	29.6
183.15573	1.6
184.14169	1.6
227.12721	1.6
235.08112	1.1
249.11086	3.2
253.09140	1.2
277.21710	8.7
278.21964	0.9
311.60794	0.9
463.21722	1.2
723.43152	24.1
724.43665	7.0
808.41107	6.5
809.40265	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	808.4852
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
69.41012	0.3
70.94775	0.6
70.95123	0.7
74.29375	0.3
75.20865	0.3
78.95908	0.6
108.48711	0.4
129.76663	0.4
150.75266	0.3
212.88004	0.3
290.28806	0.4
361.78964	0.3
416.86661	0.5
426.61237	0.4
496.66049	0.5
618.87482	0.4
809.41461	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.334
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	1.1
59.01382	10.0
61.98831	29.2
67.01897	0.7
68.99811	1.2
69.03452	0.9
71.01385	11.6
71.54600	0.8
72.99310	3.0
73.02943	1.2
75.00466	0.7
75.00871	10.1
81.03447	0.6
83.01393	0.9
83.04998	0.4
85.02952	13.6
87.00877	4.5
88.01237	0.4
89.02454	2.7
90.02760	0.5
91.04026	0.4
93.03452	1.2
95.01389	2.8
97.02983	0.5
99.00873	6.0
101.02438	1.4
103.00377	1.4
109.02946	0.9
111.00891	1.2
111.04538	0.8
113.02448	14.7
114.02772	0.6
115.00381	1.7
117.01923	1.9
119.03444	0.4
119.04961	0.5
121.02956	54.5
122.03269	3.2
125.02404	0.4
129.01936	1.3
134.03784	0.4
135.03001	0.5
139.00447	0.6
143.82001	0.4
144.07817	0.4
147.04463	1.0
153.01915	1.2
157.01360	0.5
159.02979	0.5
164.07191	2.4
165.07573	0.4
168.04314	1.4
168.41985	0.4
175.02437	1.4
183.06618	0.9
189.04012	0.4
195.06532	0.5
206.08203	3.6
207.08524	0.8
207.23520	0.4
222.80136	0.4
231.05075	3.8
236.42975	0.4
249.06139	32.4
250.06436	2.4
251.06728	0.5
293.91833	0.4
361.93369	0.4
371.09805	100.0
372.10135	13.6
373.10373	3.4
431.19348	0.5
639.78027	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	802.2047
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.5
61.98830	100.0
69.55011	1.7
69.93571	0.2
86.47940	0.3
103.30272	0.3
115.18040	0.3
117.03490	0.3
120.58556	0.3
151.00354	0.7
161.08194	0.3
164.27963	0.3
183.04530	0.5
193.05124	0.3
211.04085	0.5
226.16295	0.3
227.03481	3.7
243.17847	0.3
255.02977	14.5
256.03442	1.6
257.04471	0.4
270.04468	0.4
283.02469	23.0
284.03207	17.4
284.06439	0.5
285.03973	8.9
286.04474	0.8
305.88751	0.3
429.08136	0.3
430.09061	4.3
431.09705	1.3
593.15106	19.7
594.15295	3.9
739.20923	15.6
740.21100	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	802.2044
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	4.4
61.98829	69.1
69.03457	1.3
69.34940	1.9
69.35354	5.4
70.57236	0.8
74.70548	0.7
83.01351	1.0
85.02949	1.1
87.00838	0.8
93.03487	1.4
97.02984	0.8
107.01420	1.6
143.04961	1.0
151.00357	5.8
163.04007	0.9
172.68382	0.8
183.04434	1.2
211.04086	1.0
213.05470	1.8
213.26807	0.9
227.03485	15.2
228.03868	1.1
229.05115	2.0
239.03357	1.0
255.02975	56.9
256.03381	6.6
257.04480	3.2
283.02469	74.6
284.03217	80.0
285.03992	54.0
286.04321	4.3
327.05023	2.2
327.08667	1.8
361.02005	0.9
430.09082	11.0
431.09396	2.4
443.17297	0.8
470.69214	1.1
593.15082	100.0
594.15497	15.7
739.20935	64.6
739.31281	1.2
740.21313	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	802.2046
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	0.5
61.98831	55.0
63.02614	0.5
71.01432	0.4
83.01403	0.5
93.03490	0.6
107.01358	0.5
109.02930	0.6
151.00371	0.8
154.04256	0.8
159.04541	0.7
163.00397	0.9
165.01950	0.8
169.06566	3.1
171.04514	0.7
173.02376	0.9
185.06085	2.5
187.03999	2.1
189.05515	1.8
197.88033	0.5
211.04099	0.5
213.05519	2.9
214.02682	1.4
215.03506	0.9
227.03522	3.9
228.03934	0.6
229.05074	3.1
241.04877	0.9
243.02940	1.7
255.02950	6.4
256.03583	0.9
257.04510	3.2
267.03036	0.5
283.02429	5.2
284.03302	4.7
285.04044	100.0
286.04376	8.9
296.14911	0.5
430.09363	0.6
431.09830	15.9
432.10037	1.9
555.42377	0.5
565.82050	0.5
593.15070	11.6
594.15649	1.8
723.25159	0.5
739.20898	50.6
740.21112	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	802.2044
Annotation	Unknow
Peak:m/z	Relative Intensity
57.87937	0.7
59.01377	6.2
59.01634	1.1
59.95355	0.8
61.98832	70.4
65.00340	1.0
69.03440	1.1
72.99278	1.1
83.01396	0.9
89.02459	1.3
93.03439	2.1
107.01348	1.7
119.05052	2.0
121.02982	0.9
135.02971	1.1
137.02538	1.3
143.04843	0.9
144.11008	0.8
151.00374	4.7
153.01909	1.0
163.00334	1.2
163.04007	1.6
169.06639	1.0
179.03596	0.9
183.04469	1.3
189.05620	1.4
195.04774	0.9
195.06578	0.9
211.04012	2.2
213.05524	1.8
227.03487	17.9
228.03893	1.6
229.05037	2.1
255.02983	58.3
256.03320	6.5
257.04492	2.7
283.02490	74.3
284.03223	77.0
285.03998	55.6
286.04367	4.7
327.05246	1.8
327.08716	3.2
357.66754	0.9
430.08981	10.7
431.09598	3.0
431.22961	1.1
509.60718	0.9
593.15094	100.0
594.15356	16.2
609.38678	0.9
693.98608	1.0
739.20941	64.5
740.21326	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	802.4595
Annotation	Unknow
Peak:m/z	Relative Intensity
61.08395	0.1
61.98829	100.0
62.98547	0.2
70.11514	0.1
70.29575	0.4
87.77867	0.1
102.82264	0.1
123.13571	0.1
211.13429	0.4
212.13786	0.3
213.14066	0.1
254.79041	0.1
277.21860	0.2
278.22064	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.485
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	17.9
59.54759	0.5
61.44641	0.5
61.98833	0.9
71.01385	2.6
73.02952	0.9
85.02961	0.9
87.00872	0.6
89.02451	1.5
101.02476	3.2
113.02460	1.3
145.05138	0.6
161.04504	1.5
179.05750	0.7
182.29663	0.5
183.13869	6.0
193.12314	1.7
211.13387	91.6
212.13728	5.3
235.08231	5.2
236.08516	0.8
253.09264	8.3
277.21713	100.0
278.22046	9.7
293.20239	0.5
323.67987	0.7
330.79858	0.6
429.21259	2.4
447.22400	5.9
448.48651	0.5
486.06091	0.6
496.72232	0.6
505.49698	0.6
513.30670	2.0
523.75305	0.6
707.43811	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.3179
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	1.0
58.00591	0.4
59.01381	9.0
60.01698	0.3
61.98830	27.7
67.01901	0.6
68.99818	1.2
69.03457	1.5
71.01382	10.0
71.55061	0.5
72.99316	3.5
73.02940	1.6
75.00872	10.4
75.25643	0.3
77.07225	0.3
81.03448	0.8
81.72810	0.3
83.01384	1.1
83.05000	0.4
85.02952	11.9
85.37396	0.3
87.00871	4.4
89.02463	2.2
91.03994	0.5
93.03448	1.1
95.01385	3.6
97.02945	0.5
99.00880	6.2
101.02447	1.0
103.00386	1.2
105.28985	0.3
109.02943	0.7
111.00868	0.7
112.01662	0.3
113.02448	13.2
114.02778	0.7
115.00384	1.5
117.01922	2.1
119.05021	0.4
121.02956	52.5
122.03291	2.6
123.04488	0.3
125.02422	0.4
129.01953	1.0
134.03743	0.6
134.23299	0.3
135.02956	0.6
137.02460	0.4
147.04524	0.9
150.03249	0.7
151.04070	0.4
157.01424	0.4
164.07184	2.2
165.05539	0.8
175.02489	1.5
185.00879	0.4
189.04041	1.2
193.05058	0.5
195.06616	0.4
206.08185	3.4
207.08565	0.4
229.09828	0.4
231.05070	3.5
249.06148	36.1
250.06497	2.2
251.06537	0.3
257.12927	0.4
283.10977	0.4
285.03925	0.8
286.04202	0.5
300.02597	0.3
301.11880	0.6
353.08646	0.9
360.15338	0.5
371.09808	100.0
372.10165	12.0
373.10376	1.5
417.15662	0.4
578.16089	0.5
579.16364	1.3
675.69269	0.4
711.17529	0.4
765.25909	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	802.205
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	0.9
59.60862	0.3
61.98830	100.0
63.34066	0.3
69.58082	2.1
83.01375	0.5
85.02972	0.4
88.63993	0.3
92.20676	0.3
93.03430	0.3
107.01448	0.4
110.07803	0.3
117.06198	0.3
125.02429	0.5
151.00395	1.3
159.73375	0.4
162.67654	0.3
165.05527	0.3
206.08261	0.6
211.04053	0.5
227.03496	3.8
235.66940	0.3
255.02992	13.6
256.03470	1.6
283.02478	21.5
284.03238	16.6
284.06485	0.5
285.03958	4.7
289.07236	0.5
400.08676	0.4
430.09003	3.6
431.09573	0.6
523.21259	0.4
593.15094	21.4
594.15393	4.1
739.20880	15.2
740.21106	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	799.2671
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	18.6
61.98835	1.3
62.58152	1.3
68.99832	1.3
69.03452	2.7
70.07629	4.9
70.07980	1.4
71.01380	15.3
72.99322	4.4
73.02960	2.9
74.02449	1.1
74.59162	1.3
76.39574	1.3
83.01391	2.9
85.02948	7.9
85.35904	1.5
87.00903	3.5
89.02444	5.0
98.20532	1.6
99.00869	2.4
101.02440	11.7
111.87122	1.4
113.02454	4.1
114.93507	1.5
119.03517	2.1
119.05038	1.3
122.09930	1.5
132.02133	1.6
132.04585	1.9
142.09450	1.3
152.07126	1.7
153.09258	1.3
160.01611	1.9
161.02458	1.4
165.05540	1.5
179.05695	1.2
193.05112	1.7
203.08281	1.6
238.06140	1.2
239.16528	7.2
240.16660	1.3
245.09309	2.9
296.07129	1.7
297.07385	2.2
299.09082	2.1
311.09009	5.9
312.09943	1.8
313.10703	3.9
315.08691	1.6
325.10822	1.8
326.11697	1.3
329.10306	2.9
330.10837	1.3
341.10327	4.4
342.10870	2.1
343.08060	2.1
344.08960	2.1
344.12622	5.8
345.13126	2.9
350.50464	1.3
356.12543	6.4
357.13544	2.8
359.15164	8.0
371.15033	6.5
373.12967	1.7
385.13107	3.4
401.35379	1.3
485.14426	1.5
491.15607	4.7
501.49509	1.5
503.15421	11.8
506.17914	14.5
507.18155	3.2
515.19226	5.4
518.17798	5.0
521.20282	100.0
522.20618	15.9
533.20282	98.2
534.20490	15.0
551.21527	15.7
552.21454	3.6
563.21588	7.9
564.21344	2.0
566.90894	1.3
575.21338	6.2
576.21350	2.1
593.22253	2.5
660.54028	1.4
729.63739	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.2304
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00278	1.0
59.01381	6.1
61.98830	4.4
69.34309	8.7
71.01379	4.6
72.99306	1.9
75.00871	1.3
83.01385	1.3
85.02952	2.3
87.00879	1.4
89.02432	1.5
95.01389	1.1
95.91180	1.0
96.96000	1.7
97.82958	1.0
99.00905	1.3
101.02457	1.6
107.01411	1.4
113.02441	2.0
119.03438	1.4
121.02976	8.2
134.03711	1.2
147.04543	1.2
151.00392	5.5
161.04533	1.7
163.03992	1.7
164.07181	1.6
172.05255	1.5
175.04007	2.6
180.04247	1.3
187.07745	1.5
189.05550	1.7
190.06317	3.6
191.07135	3.5
193.05060	2.9
194.05957	1.1
205.08676	4.3
206.08305	1.4
207.06621	1.1
207.08510	1.1
208.07433	2.6
211.03946	1.6
212.04807	1.0
213.05534	2.4
222.08855	1.2
227.03575	1.2
229.05118	1.3
249.06047	3.7
255.03006	13.9
256.03403	1.5
257.04535	2.5
269.55408	1.3
283.02487	38.2
284.03076	11.3
285.04050	77.7
286.04471	7.5
291.32532	1.2
344.12598	1.3
359.10529	1.3
359.15018	23.1
360.15509	2.6
371.09808	8.8
371.14627	2.8
389.16251	7.6
430.09021	10.8
431.09750	26.1
431.15204	2.0
432.10110	3.2
447.09418	4.5
521.20428	2.6
533.20148	3.6
575.21320	1.8
577.15582	100.0
578.15918	17.9
593.14642	5.3
675.00287	1.1
824.82703	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.2676
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03463	3.0
59.01382	21.9
67.94062	1.3
69.03477	2.2
71.01382	16.5
71.55118	1.3
72.56904	1.3
72.99313	3.1
73.02967	4.1
74.02469	1.9
77.43156	1.2
83.01415	3.4
85.02959	5.8
86.00109	1.4
87.00886	3.0
89.02437	5.0
95.01393	1.7
96.96021	2.0
99.00879	2.3
101.02429	10.5
112.89178	1.4
113.02464	5.5
119.03549	2.8
132.04538	2.0
151.03999	2.2
160.01640	2.5
180.07918	1.4
181.04948	1.8
193.05202	1.6
239.16512	9.5
245.09279	4.1
270.05426	1.4
271.09506	2.1
283.15494	1.8
285.07654	1.3
290.41769	1.3
296.06927	2.8
297.07819	1.5
298.08572	1.8
311.09253	5.4
312.10028	2.4
313.10773	2.7
326.11746	1.7
329.10516	1.8
330.10986	2.2
341.10220	4.4
342.11215	2.0
344.12656	5.2
345.13300	3.0
356.12625	4.8
357.13220	3.6
359.15024	7.7
371.14926	5.5
385.13144	2.2
491.15616	4.6
503.15256	10.0
504.15515	2.0
506.17920	13.9
507.18616	2.9
515.18842	3.8
518.17981	5.2
521.20239	100.0
522.20648	17.7
533.20300	96.6
534.20471	14.9
551.21350	16.8
552.21710	2.5
563.21393	7.9
575.21533	10.7
576.21802	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	791.4352
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	56.8
70.77477	25.4
70.77799	15.4
110.26788	12.1
110.58189	10.7
127.53115	12.1
131.78796	13.0
132.18895	11.7
168.20235	11.7
209.11807	70.9
277.21677	100.0
333.44217	11.8
770.18439	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	793.2955
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	0.9
61.98819	0.5
69.62280	1.0
71.01379	0.2
72.53039	0.1
72.71922	0.1
73.02943	5.7
75.00858	0.3
75.57498	0.2
78.52537	0.2
97.93138	0.1
99.00890	0.9
99.92585	11.9
100.92596	0.8
114.93427	0.5
115.00358	0.2
116.92860	100.0
116.97250	4.4
117.01935	9.9
117.05578	0.3
117.92871	6.5
117.96063	0.2
125.02453	0.4
126.98790	0.1
151.03969	0.3
151.41489	0.1
161.02432	0.2
277.21771	0.2
289.07455	0.2
335.17581	0.6
397.13123	0.3
398.13846	0.2
732.12708	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.2958
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.4
61.98836	0.5
65.73982	0.2
69.30615	0.1
71.01382	0.3
73.02946	12.1
75.00867	0.5
87.00947	0.2
87.86864	0.2
89.02443	0.3
92.58764	0.1
98.20652	0.3
99.00881	1.9
99.92585	11.4
100.92610	0.7
114.93440	0.5
115.00375	0.3
116.03548	0.2
116.92863	100.0
116.97247	2.6
117.01939	20.0
117.05554	0.3
117.92867	5.7
118.02248	0.4
127.07918	0.1
155.57642	0.1
155.58929	0.2
267.08789	0.1
276.05884	0.1
277.21780	0.3
296.96033	0.1
335.17545	0.3
352.45758	0.2
397.13684	0.3
415.14532	0.2
691.10663	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.543
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	100.0
62.98531	0.2
89.02476	0.2
109.42188	0.1
111.29921	0.1
122.97605	0.1
166.44124	0.1
168.37019	0.1
178.40765	0.1
204.46069	0.1
291.74561	0.1
567.77698	0.1
598.92407	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.543
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
62.98542	0.2
62.99283	0.1
98.19865	0.2
111.21675	0.1
112.59693	0.1
194.25093	0.1
277.78918	0.1
300.24866	0.1
302.51129	0.1
311.63031	0.1
324.45499	0.1
327.88916	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.3993
Annotation	Unknow
Peak:m/z	Relative Intensity
57.77494	0.7
59.01380	100.0
60.01739	1.1
61.98830	2.3
71.01394	2.4
83.57332	0.7
84.22178	0.8
85.30990	0.7
89.02454	3.0
89.80475	0.8
96.99339	1.1
101.02449	1.9
114.75980	0.8
125.02467	1.2
141.01704	51.7
142.02139	0.8
142.05133	1.3
171.10280	1.4
180.16589	0.7
220.57454	0.7
220.92332	0.8
229.36557	0.8
235.08191	1.3
243.04874	0.8
255.23260	6.9
277.21780	2.3
337.23657	4.0
397.13528	8.6
415.14621	1.5
419.11676	2.3
437.13010	3.0
469.06635	1.1
653.38037	0.9
675.36237	2.4
676.61188	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.3241
Annotation	Unknow
Peak:m/z	Relative Intensity
56.65992	1.9
57.03452	2.7
59.01384	44.4
61.98814	9.0
69.54612	8.9
69.55021	3.8
71.01384	18.4
72.99301	5.5
73.02940	4.2
83.01377	4.8
85.02937	5.9
87.00881	5.7
89.02444	16.0
93.03463	3.0
95.01390	3.4
96.96007	6.1
97.02959	2.3
98.20631	3.1
101.02448	7.6
103.00361	5.0
105.01941	3.0
113.02440	8.5
119.03494	7.1
119.05006	4.8
123.04482	2.7
123.61120	1.9
125.02462	2.9
135.02937	2.3
137.06009	2.0
137.09758	2.9
146.06599	1.8
147.04500	3.3
157.01291	2.1
161.04549	3.0
161.13348	5.4
163.07640	2.3
163.43475	1.9
178.22678	2.4
179.05605	6.5
205.12305	12.6
207.10249	9.7
219.13661	1.9
249.11334	20.2
281.13928	100.0
282.14249	8.1
311.09122	6.0
312.09598	2.7
313.09854	2.3
315.10132	2.4
323.14978	6.4
356.15353	2.0
367.14197	4.6
429.17596	42.0
430.17844	6.3
469.71252	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	784.4127
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	0.2
61.98830	100.0
63.40974	0.2
64.52026	0.2
89.81313	0.2
101.97370	0.2
103.98837	0.2
105.65717	0.2
145.95699	0.2
166.29710	0.2
209.11880	1.3
210.12286	0.6
211.13509	0.2
257.52097	0.2
277.21631	1.6
278.22110	0.7
496.03900	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.1721
Annotation	Unknow
Peak:m/z	Relative Intensity
56.88502	0.3
61.47448	0.5
61.98829	1.2
77.03971	0.6
87.52514	0.4
91.01903	0.8
108.90181	3.5
113.78847	0.4
120.02139	0.6
121.02951	100.0
122.03281	4.6
136.01662	0.9
147.04460	0.5
165.01968	2.3
181.06575	2.9
191.03525	2.3
209.04533	64.1
210.04852	4.0
225.05515	2.1
252.38141	0.4
301.46924	0.4
313.07138	4.9
314.07492	0.5
357.06155	1.8
401.08688	10.1
402.09024	1.1
549.10767	0.6
785.17249	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.2249
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	4.1
61.98832	100.0
71.01398	1.2
87.82145	0.5
94.21319	0.5
96.99325	0.7
99.00903	1.6
101.02446	0.6
118.53392	0.4
127.39033	0.5
131.18324	0.4
142.99867	1.2
143.03467	0.9
143.10861	0.5
143.99146	14.7
145.01463	0.7
145.05045	0.7
182.59439	0.5
266.57773	0.4
277.21811	2.0
481.15350	0.7
555.19165	1.3
557.19153	0.7
572.15924	0.9
602.33948	0.5
641.22809	0.6
701.25134	2.1
704.22595	5.0
705.21771	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	786.428
Annotation	Unknow
Peak:m/z	Relative Intensity
57.47586	0.1
61.98830	100.0
62.98512	0.1
69.72989	0.6
72.12878	0.1
75.17057	0.1
98.20625	0.2
101.56332	0.1
105.81911	0.1
135.11194	0.1
184.24675	0.1
187.34421	0.2
334.73962	0.1
395.56592	0.1
416.96246	0.1
451.79831	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	786.4285
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
62.05931	0.1
62.98527	0.1
80.96524	0.1
120.81672	0.1
128.25128	0.1
129.62134	0.1
198.35107	0.1
209.11879	0.1
258.84045	0.1
277.21762	0.1
343.95773	0.1
435.19788	0.1
559.79291	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	788.1893
Annotation	Unknow
Peak:m/z	Relative Intensity
55.79370	0.5
56.73567	0.4
57.50418	0.4
59.00120	0.5
59.01371	1.1
61.98829	100.0
69.40363	3.4
75.00904	0.5
93.03458	0.7
100.23029	0.5
117.03482	0.5
151.00432	0.7
160.72527	0.5
178.02754	0.5
183.04535	0.9
211.04024	0.8
227.03426	4.9
255.02968	24.5
256.03549	2.1
257.04538	0.8
268.40833	0.5
283.02466	45.4
284.03192	24.9
285.03992	21.9
286.04440	1.6
286.07504	0.5
326.04257	0.8
371.10098	0.8
446.08459	8.2
446.14319	0.7
447.08975	1.2
563.14050	48.4
564.14404	8.0
579.13928	0.7
605.15436	1.1
725.19305	29.8
726.19598	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	788.4436
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	100.0
62.98542	0.3
71.54885	0.4
79.95698	0.3
80.96523	0.7
91.30161	0.2
130.21944	0.3
678.12695	0.3
763.68683	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.3918
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.3
57.03447	1.4
59.01379	19.8
61.98832	5.6
65.90337	0.6
69.47861	3.1
69.48290	2.5
71.01377	10.0
72.99313	1.2
73.02921	3.2
78.38776	0.8
83.01356	2.0
85.02940	4.6
87.00875	4.7
89.02439	2.4
95.01402	0.9
96.96008	2.8
97.02976	1.2
99.00898	1.3
99.59328	0.9
101.02440	4.6
109.02939	1.0
113.02419	2.7
125.02405	1.9
133.29558	0.7
143.03491	0.9
143.21382	0.8
145.29810	0.7
173.52417	0.7
175.07568	1.6
193.08702	1.2
201.16571	0.7
241.18076	4.8
251.12930	1.3
259.19125	27.5
260.19394	2.2
283.15421	2.3
299.14938	2.7
403.23352	18.1
404.23602	2.2
421.24414	37.8
422.24741	4.5
444.52869	0.7
463.25485	100.0
464.25836	15.1
789.41882	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.3921
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	1.2
57.03449	2.8
59.01377	35.6
59.15784	1.0
60.89702	0.9
61.98835	6.4
69.03460	2.4
70.30350	2.3
70.30710	2.2
71.01382	19.0
72.99310	3.6
73.02937	9.8
74.99100	1.2
75.16376	1.1
83.01388	4.4
83.05004	1.2
85.02940	8.6
86.00101	1.3
86.75647	1.0
87.00883	8.9
88.98790	1.2
89.02444	3.5
93.03422	1.4
96.96010	2.1
97.02924	2.5
99.00890	2.6
99.04517	1.2
101.02454	8.5
111.00864	2.0
113.02438	6.6
115.00333	1.3
116.92834	1.3
119.03549	1.3
122.03716	1.4
123.04524	3.7
125.02477	2.3
127.00358	1.8
129.01927	1.5
139.04051	1.3
139.07692	1.1
143.03484	1.1
147.02945	2.2
147.04517	4.7
149.06062	3.9
151.07625	2.4
153.09225	1.2
157.01369	1.7
160.98941	1.0
175.07625	1.8
191.01904	1.3
193.08623	2.5
204.21304	1.2
205.08667	1.4
207.10240	3.3
223.09831	3.0
241.18115	4.1
257.17624	1.6
259.19101	30.1
260.19373	2.9
265.14453	1.2
271.18991	1.4
281.13885	5.5
283.15457	9.6
284.15936	1.4
295.09756	13.1
299.14966	15.7
300.15387	1.8
341.16080	1.3
403.23413	20.6
404.23639	2.0
418.98038	1.1
419.22992	5.3
421.24405	39.4
422.24802	4.9
437.23779	1.3
447.25714	1.5
461.23804	2.9
463.25476	100.0
464.25797	13.1
507.28464	6.4
627.33777	1.5
685.38055	1.5
703.38947	1.8
745.39746	2.4
746.39929	1.5
789.38989	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	784.4129
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.3
61.98830	100.0
62.98545	0.3
69.34198	1.4
69.47658	0.2
80.96513	0.3
84.09830	0.2
98.19884	0.2
106.95455	0.2
116.92860	0.4
149.39214	0.2
209.11827	1.3
210.12192	0.4
277.21686	1.3
278.22186	0.8
289.87003	0.2
454.38812	0.2
708.96698	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	782.4334
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
71.09519	0.5
75.00901	0.4
78.95901	0.6
89.54234	0.3
142.02632	0.2
188.44975	0.3
222.20171	0.2
231.56993	0.2
238.19186	0.3
277.21817	0.8
278.22165	0.4
359.24506	0.2
363.55292	0.3
425.34708	0.2
782.42993	0.6
783.42871	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
55.42473	2.0
56.96452	2.2
57.23505	2.1
59.01380	83.2
61.98825	4.5
61.99107	2.7
68.99821	28.8
70.40658	7.6
71.45251	2.7
74.77887	2.1
76.59075	2.3
77.06254	2.7
85.02966	2.6
96.99323	23.5
97.82573	2.4
111.00871	3.1
116.11212	2.2
136.89139	3.6
137.89119	2.5
139.99886	2.5
140.98312	23.3
141.01845	8.2
148.42261	2.7
169.87355	3.0
222.78818	2.5
277.21713	4.7
481.15201	24.3
482.15372	6.9
495.16534	9.7
497.18234	3.3
503.70364	2.5
540.16309	6.7
555.18884	31.2
556.19153	9.1
572.15521	20.5
573.15564	5.7
586.16925	5.5
609.19910	2.8
641.22400	29.2
642.23199	10.9
701.24628	100.0
702.24963	34.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.4541
Annotation	Unknow
Peak:m/z	Relative Intensity
55.56348	1.4
59.01366	4.1
61.98826	8.4
71.01385	2.9
71.54832	2.1
71.55216	1.6
76.58513	1.2
77.82977	1.5
83.05016	3.9
89.02442	1.6
92.24234	1.6
100.75452	1.4
101.02452	2.4
161.04553	2.4
163.11267	2.8
165.12770	1.2
167.93826	1.3
209.11821	64.3
210.12143	5.0
227.12904	11.7
235.08200	3.2
253.09248	10.1
277.21716	100.0
278.22073	11.4
302.51102	1.4
326.69879	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	784.1512
Annotation	Unknow
Peak:m/z	Relative Intensity
57.22260	0.6
59.01375	4.1
63.02384	2.1
64.49416	0.7
64.99988	1.1
65.00319	8.3
71.01366	2.2
71.10050	1.5
74.02463	0.8
78.95909	0.8
83.01384	5.1
85.02942	0.7
85.36221	0.6
87.00864	1.6
89.02441	1.8
93.03456	0.7
96.96008	6.7
98.25694	0.6
100.27203	0.6
101.02472	1.3
107.01389	12.1
119.04998	1.0
125.02482	5.8
126.98581	1.0
127.00301	0.8
128.03537	2.5
137.02438	1.2
138.98581	0.9
141.00153	0.8
143.04628	2.0
149.02393	1.0
150.98489	2.1
151.00360	36.0
152.00717	0.8
154.98051	1.2
163.00299	0.8
163.04002	1.0
164.01115	0.8
168.99637	2.1
169.01347	0.9
171.04535	0.7
175.03967	0.7
177.01799	1.1
178.98062	4.6
178.99849	5.8
179.04552	0.7
183.04562	0.8
185.02339	0.9
186.54152	0.7
191.05620	1.4
192.99652	1.4
193.01428	3.3
194.97522	5.4
199.03996	1.4
201.01921	4.1
203.03595	1.0
215.03484	3.6
216.99593	1.1
217.01440	1.2
220.99074	4.3
227.03384	0.9
229.01277	0.9
231.01160	0.9
232.99037	4.0
235.00665	2.8
243.02928	2.7
244.99136	2.1
251.75999	0.7
253.01674	0.8
254.07849	2.1
259.00507	4.3
260.98621	1.7
263.00034	0.8
269.01059	5.6
271.02444	4.9
272.08832	2.6
275.00189	3.1
286.99802	1.1
287.02313	1.0
288.98309	0.7
297.00421	6.0
298.01147	1.5
299.02005	1.5
302.99677	38.2
304.00009	2.4
306.07629	4.3
315.01431	10.1
316.01981	1.1
316.81253	0.8
329.98282	3.1
330.99161	71.7
331.99463	6.5
349.00174	10.4
434.13971	0.7
477.06726	6.5
511.05490	100.0
512.05859	14.1
622.09467	2.9
671.32672	0.7
699.28510	0.8
784.15100	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.4587
Annotation	Unknow
Peak:m/z	Relative Intensity
55.47789	1.4
59.01380	23.2
60.70234	1.2
61.98838	9.2
70.55198	1.2
71.01382	3.1
71.54321	1.8
79.19672	1.3
79.48955	1.3
84.04210	1.2
89.02436	2.5
89.47866	1.5
95.05013	1.3
101.02440	2.1
113.02456	1.9
167.10797	2.4
179.14412	3.9
193.19000	1.4
195.13873	8.9
205.12360	9.0
223.13385	100.0
224.13747	7.2
235.08163	5.1
238.56726	1.2
253.09280	9.4
259.08627	1.6
277.21716	88.9
278.22079	8.7
441.21140	1.9
459.22263	15.2
460.23041	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	781.2195
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	0.8
59.43311	0.2
59.93435	0.2
61.98832	0.7
63.02411	0.3
65.00368	0.3
69.03460	0.3
69.19541	1.0
69.19961	0.9
71.01382	0.6
72.99308	1.1
75.00879	0.3
83.01411	0.7
85.02969	0.2
87.00888	0.4
89.02457	0.3
93.03457	1.5
96.96024	0.3
98.20630	0.6
99.00877	0.2
101.02403	0.3
107.01366	0.7
109.02967	0.3
111.00859	0.2
117.03477	0.5
119.05096	0.2
121.02956	0.3
123.00920	0.3
130.04254	0.2
135.00888	0.3
135.03014	1.1
137.02446	0.4
141.07175	0.2
143.05013	0.8
145.02925	0.3
145.06566	0.2
150.79619	0.2
151.00357	0.6
153.01909	0.4
154.04224	1.6
155.05003	0.4
157.06598	0.6
159.04482	1.0
163.00360	0.8
165.01993	0.9
167.04988	0.4
169.06573	3.3
171.04515	0.8
173.02489	1.0
173.06154	0.2
177.64444	0.2
178.18466	0.2
183.04518	0.3
185.00883	0.2
185.06061	3.2
186.50890	0.2
187.03999	2.0
189.05569	2.1
195.04535	0.6
197.04527	0.3
197.06158	0.3
198.03233	0.4
199.03934	0.5
201.05502	0.4
211.04002	0.9
212.04570	0.2
213.05560	3.8
214.02734	2.0
214.05957	0.3
215.03426	1.2
217.05008	0.4
227.03493	5.8
227.05739	0.3
228.03880	0.5
229.05034	2.8
239.03467	1.0
240.04146	0.3
241.04939	1.1
243.02954	2.1
255.02980	9.2
256.03552	1.2
257.04538	3.1
258.04782	0.3
267.03052	0.4
283.02460	5.2
284.03201	4.5
285.04034	100.0
286.04379	8.5
339.05664	0.6
430.09015	0.6
431.09799	30.1
432.10245	3.3
457.11316	0.2
575.13824	0.3
593.14807	0.3
635.16119	13.4
636.16394	2.3
706.31824	0.2
721.19861	0.2
739.19855	0.5
781.21906	17.0
782.22302	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	781.4381
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	16.0
61.98817	4.9
71.01381	4.0
71.54708	2.3
72.78284	1.4
78.95898	2.8
85.02978	2.2
86.18161	1.4
91.04077	1.6
91.94077	1.8
97.02949	6.2
99.00874	8.5
116.92796	1.9
118.63100	1.6
125.09704	2.0
142.02713	2.1
163.11339	9.3
181.12337	18.6
182.12651	1.6
207.10251	43.8
207.12189	2.3
208.10574	3.4
225.11310	100.0
226.11635	6.6
243.12335	12.5
253.09286	2.3
263.20074	4.5
277.21722	85.0
278.21906	8.3
279.22928	2.0
281.24762	4.5
323.45908	2.0
443.19370	4.1
461.20285	41.9
462.20694	7.4
494.64389	1.8
721.41632	27.5
722.42102	6.9
776.78101	2.1
781.40497	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.4379
Annotation	Unknow
Peak:m/z	Relative Intensity
56.94258	1.0
59.01383	12.9
61.98830	5.4
64.77539	1.0
67.19061	1.2
71.01381	3.9
71.11692	1.4
71.12040	2.3
80.96517	1.4
87.00893	1.3
89.02447	1.1
97.02951	3.4
98.78960	1.0
99.00905	5.4
101.02433	2.0
107.66389	1.1
113.02449	1.4
116.92882	2.3
117.92920	1.1
118.77402	1.0
125.09730	2.8
142.02658	1.2
161.09770	1.3
163.11290	4.7
181.12321	6.7
193.08940	1.1
207.10245	23.8
208.10654	1.1
225.11325	53.6
226.11665	4.5
235.08234	2.6
236.03378	1.1
243.12465	7.5
253.09300	4.1
277.21729	100.0
278.22043	11.4
443.19235	4.1
460.99277	1.1
461.20309	7.8
462.21265	1.4
595.14526	1.2
721.41736	18.6
722.42371	4.9
781.40228	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.2412
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	3.7
61.98830	7.3
68.99831	1.6
69.03478	1.4
69.21200	3.3
69.21630	5.3
71.01376	7.7
72.99306	4.6
83.01376	2.4
85.02935	2.1
87.00883	12.9
88.98792	1.5
89.02383	1.0
93.03436	1.5
96.99320	3.5
97.02951	1.5
98.20676	2.1
99.00868	4.0
101.02425	1.1
103.05582	1.5
108.19557	0.8
111.00873	3.1
113.02436	2.1
115.00376	1.7
115.05528	2.9
117.01912	1.2
119.05012	5.6
125.02433	1.4
127.00368	28.9
129.01944	6.1
135.04517	1.0
139.00354	4.0
141.01930	2.4
147.04526	30.0
148.04805	2.0
153.01892	1.8
154.99760	1.1
157.01416	9.3
158.06841	0.8
163.04037	2.4
165.01849	1.4
169.01411	5.2
174.01671	1.5
175.02473	2.6
181.01407	1.7
195.08192	1.4
199.02473	8.1
205.10156	1.6
207.11765	2.5
211.02495	6.1
221.09682	1.4
223.11237	1.8
229.03510	8.1
233.09708	8.4
234.09961	1.1
251.10762	8.3
257.03040	1.3
266.01761	1.0
277.08566	2.4
287.03995	4.5
295.09738	100.0
296.10126	11.8
300.09900	1.1
319.06641	6.6
327.17426	2.5
366.22327	0.9
374.38461	0.9
385.14297	2.2
441.12387	1.4
459.14365	6.5
460.14273	1.9
469.81787	0.9
507.13324	1.4
558.67560	1.0
565.13440	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.4403
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	100.0
67.54539	17.1
68.61145	14.5
69.53954	57.8
69.54382	51.0
74.88710	15.6
78.06746	13.6
78.21312	15.4
97.37143	16.4
139.02016	17.9
211.13438	19.0
222.21184	16.8
277.21893	22.1
310.56607	16.8
398.60251	18.8
399.72150	19.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.5324
Annotation	Unknow
Peak:m/z	Relative Intensity
54.90564	0.1
61.98830	100.0
62.98534	0.1
70.03394	0.6
76.05757	0.1
97.69839	0.1
98.20686	0.1
156.96602	0.1
169.24536	0.1
211.41072	0.1
237.27548	0.1
339.85687	0.1
355.69559	0.1
403.90561	0.1
477.25946	0.2
753.78998	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.5321
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
62.98520	0.2
70.84980	0.2
87.81927	0.1
87.84041	0.1
89.67108	0.1
120.17113	0.1
143.62057	0.1
155.91687	0.1
251.73885	0.1
252.34206	0.1
612.64655	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.319
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.8
59.01378	9.4
59.66633	0.5
59.79860	0.5
67.01891	1.1
68.99817	1.3
69.03458	1.0
69.42701	4.0
71.01385	7.7
72.99307	3.2
73.02938	0.9
75.00874	10.8
82.62606	0.5
83.01382	0.8
85.02952	10.2
87.00869	3.6
89.02441	2.4
91.03992	0.5
93.03430	0.8
95.01366	2.9
99.00874	6.1
103.00361	1.1
109.02901	0.8
111.00864	0.6
113.02451	11.2
114.02785	0.7
115.00372	1.6
117.01914	1.3
121.02951	53.2
122.03291	2.3
129.01930	1.0
152.33615	0.4
175.02510	1.6
188.97070	0.5
189.03961	0.8
193.05037	1.3
204.00269	0.5
231.05066	3.8
231.23181	0.5
249.06139	32.0
250.06439	2.1
353.08774	0.9
371.09805	100.0
372.10156	10.2
373.10172	1.5
381.71069	0.5
409.65671	0.5
458.41327	0.6
580.60431	0.6
766.61395	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.3185
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	0.8
57.03433	1.6
59.01379	8.4
61.98824	2.1
67.01888	0.6
70.87355	1.0
70.87700	1.1
71.01379	7.4
72.99300	3.4
73.02958	0.9
75.00871	9.7
85.02948	12.6
87.00857	4.2
89.02439	2.3
93.03472	0.8
95.01385	2.8
99.00880	6.2
101.02425	1.1
103.00383	1.8
111.00827	0.8
113.02447	15.3
115.00368	1.6
117.01953	2.0
121.02956	50.0
122.03284	2.6
129.01907	1.1
163.41414	0.5
175.02466	1.8
193.03384	0.6
214.58627	0.6
231.05086	1.4
234.10280	0.6
249.06131	10.9
283.02637	0.7
299.01837	0.7
353.08832	1.2
364.46140	0.6
371.09799	100.0
372.10077	10.8
373.10461	1.0
421.60458	0.6
426.06070	0.6
540.12671	0.6
621.34186	0.6
735.19244	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.5482
Annotation	Unknow
Peak:m/z	Relative Intensity
61.01248	0.4
61.98830	100.0
70.81565	0.8
84.14572	0.4
104.48888	0.3
106.59708	0.4
142.46533	0.4
169.14569	0.4
171.33174	0.3
225.31300	0.4
308.19839	0.3
467.07846	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.5478
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
63.78584	0.2
68.43069	0.2
70.99544	0.4
117.43039	0.2
120.21230	0.2
352.57349	0.2
428.08084	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.2416
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	1.2
59.01375	7.2
61.98829	3.6
69.21924	2.3
69.22327	12.1
71.01383	8.2
72.99303	5.8
83.01358	1.7
83.03496	1.4
85.02956	3.3
87.00878	14.5
93.03426	2.2
95.01454	1.6
96.99290	3.1
97.02968	1.3
99.00858	4.5
101.02415	2.5
109.03025	1.9
111.00880	3.7
113.02414	2.5
115.00375	2.0
115.05521	3.1
119.05003	6.6
125.02425	2.8
126.90299	1.4
127.00372	27.1
129.01909	5.6
137.02448	1.6
139.00372	3.9
141.01930	2.7
147.04517	31.1
148.04845	1.7
151.57625	1.5
153.01892	1.6
157.01450	11.9
163.03986	4.3
165.01953	2.1
169.01387	5.0
174.01631	3.9
175.02438	3.9
181.01393	3.0
183.03006	2.0
195.08113	6.1
197.09705	1.6
199.02490	6.8
205.10260	1.6
207.11671	1.5
211.02554	8.0
221.09706	2.1
223.11328	3.7
229.03468	5.8
233.09708	8.7
251.10754	6.3
257.03116	1.9
277.08685	2.0
287.03973	2.5
295.09744	100.0
296.10071	13.2
319.06567	6.4
327.17508	3.3
385.14313	2.9
410.22620	1.6
459.14282	9.0
460.14417	2.2
565.13641	2.1
588.10571	1.4
599.28522	1.7
779.35046	12.5
780.34357	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	775.3397
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04619	0.4
55.01882	0.5
59.01379	100.0
60.01713	1.3
61.13974	0.3
61.98839	2.1
71.01387	8.3
71.67220	0.4
72.99326	1.6
73.02950	2.3
75.00880	0.4
83.01417	1.4
85.02966	4.2
87.00905	1.5
89.02454	4.3
95.01386	0.9
96.96012	0.8
98.19856	1.0
99.00914	0.7
101.02439	4.3
113.02447	5.1
119.03519	1.3
122.62038	0.4
124.84650	0.4
125.02477	0.8
132.19862	0.4
135.03038	0.4
141.01852	0.5
150.06927	0.6
161.04558	0.6
168.39098	0.4
175.02542	0.5
224.17212	0.3
258.19052	0.5
295.09790	0.6
311.09140	0.7
365.35175	0.4
414.58203	0.5
458.37677	0.5
523.15692	0.5
551.28442	0.7
567.31720	7.2
567.40228	0.6
568.32526	1.1
585.32782	15.6
585.41791	0.8
586.33087	2.6
603.33740	4.7
627.33765	5.6
628.34387	1.4
645.34668	6.6
646.35919	1.3
678.92682	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.1853
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	11.4
61.98825	15.2
69.03447	2.1
71.01382	6.5
71.55589	2.2
72.99303	6.5
75.00862	2.2
83.01377	2.6
87.00867	4.5
88.98736	1.7
89.02415	3.5
93.03450	2.6
101.02413	2.9
102.08404	2.0
107.01383	2.6
109.02920	2.7
117.03468	1.9
118.82461	2.0
119.04975	3.3
121.03010	1.6
125.02397	1.8
135.03069	2.9
138.16968	1.7
141.17369	2.0
145.01399	1.9
145.02989	1.7
147.04434	2.2
149.02403	2.0
150.03204	6.8
151.00360	2.9
151.03827	2.3
163.04041	2.2
165.05486	3.6
179.07170	2.7
193.05013	2.1
195.06595	4.1
196.31572	2.1
222.88297	2.0
227.03476	15.2
229.05032	3.3
240.04099	2.0
255.02951	59.9
255.06032	3.6
255.06645	3.6
256.03537	6.4
257.04584	2.9
270.09158	2.1
283.02472	85.7
284.03223	76.6
285.04019	54.8
286.04401	4.6
301.10886	2.0
311.09314	2.5
327.05127	2.6
327.08740	2.8
381.43561	1.9
430.09106	11.0
431.09680	2.4
593.15088	100.0
594.15393	16.3
641.46698	2.0
647.74023	2.5
739.07745	4.6
739.20892	69.9
740.21063	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	773.3966
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	39.4
61.98834	17.5
71.01385	9.9
71.44338	4.1
73.02937	5.0
75.43086	3.0
83.01360	3.5
83.23047	2.9
85.02937	8.1
95.51507	2.8
96.96002	5.5
101.02436	6.9
104.23747	2.8
109.74538	2.9
111.00919	2.9
115.07703	6.4
116.92822	3.6
117.92587	2.7
122.03766	2.8
125.02414	5.8
148.99648	2.8
151.07599	14.3
152.07932	2.6
153.09207	4.2
159.03052	3.5
167.89674	3.3
171.10188	4.9
173.02588	3.3
207.10265	19.4
209.11658	4.0
241.18066	4.1
247.13403	5.4
259.19193	20.5
265.14462	10.3
269.40482	3.3
283.15491	100.0
284.15948	9.4
326.90466	2.9
342.78436	3.4
346.07678	3.4
403.23401	34.6
404.23663	3.2
410.60919	2.7
421.24490	37.6
445.24237	5.8
463.25900	15.4
530.45093	3.2
602.50726	3.1
642.33405	2.8
669.38684	5.3
687.39502	14.0
729.40948	5.2
773.44220	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	773.5172
Annotation	Unknow
Peak:m/z	Relative Intensity
58.27475	0.4
61.98831	100.0
62.35997	0.5
82.35944	0.4
98.20647	1.1
100.25440	0.4
110.82316	0.4
136.52600	0.4
204.65155	0.5
277.21750	0.6
348.89197	0.5
411.43613	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.1853
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	11.4
61.98825	15.2
69.03447	2.1
71.01382	6.5
71.55589	2.2
72.99303	6.5
75.00862	2.2
83.01377	2.6
87.00867	4.5
88.98736	1.7
89.02415	3.5
93.03450	2.6
101.02413	2.9
102.08404	2.0
107.01383	2.6
109.02920	2.7
117.03468	1.9
118.82461	2.0
119.04975	3.3
121.03010	1.6
125.02397	1.8
135.03069	2.9
138.16968	1.7
141.17369	2.0
145.01399	1.9
145.02989	1.7
147.04434	2.2
149.02403	2.0
150.03204	6.8
151.00360	2.9
151.03827	2.3
163.04041	2.2
165.05486	3.6
179.07170	2.7
193.05013	2.1
195.06595	4.1
196.31572	2.1
222.88297	2.0
227.03476	15.2
229.05032	3.3
240.04099	2.0
255.02951	59.9
255.06032	3.6
255.06645	3.6
256.03537	6.4
257.04584	2.9
270.09158	2.1
283.02472	85.7
284.03223	76.6
285.04019	54.8
286.04401	4.6
301.10886	2.0
311.09314	2.5
327.05127	2.6
327.08740	2.8
381.43561	1.9
430.09106	11.0
431.09680	2.4
593.15088	100.0
594.15393	16.3
641.46698	2.0
647.74023	2.5
739.07745	4.6
739.20892	69.9
740.21063	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	775.1857
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01984	0.3
58.02968	0.6
58.89635	0.4
59.01397	0.5
69.32185	3.7
71.01387	0.6
74.02478	2.6
83.01388	0.8
87.00864	0.5
90.25040	0.5
95.74278	0.4
98.02487	0.8
104.05485	0.5
107.01315	0.5
116.03504	0.8
116.05045	1.3
119.38162	0.4
133.80640	0.4
143.05069	0.6
154.04253	0.9
163.00435	0.6
165.01877	0.5
165.05524	0.5
168.05774	0.6
169.06598	2.6
173.02454	0.7
185.06134	2.3
187.04037	2.1
189.05579	1.7
195.04494	0.7
199.03926	0.8
203.08275	2.3
211.03999	0.7
213.05602	3.4
214.02724	1.3
215.03479	1.2
227.03510	4.3
229.04985	2.6
239.03604	1.0
241.04944	1.1
243.02957	1.9
245.09302	6.4
246.09535	0.8
255.02971	7.8
256.03571	1.5
257.04562	3.7
267.02921	0.5
283.02472	5.2
284.03217	4.9
285.04047	100.0
286.04391	10.2
334.80460	0.4
430.09326	0.8
431.09833	13.3
432.10184	1.7
473.14133	0.6
593.15076	8.3
594.15582	1.6
617.46771	0.5
739.20923	39.4
740.21271	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	773.3962
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32456	2.2
57.03429	2.9
59.01105	3.0
59.01381	42.0
59.43439	1.8
61.98833	33.4
71.01392	15.0
72.99289	3.1
73.02943	4.6
83.01439	3.0
85.02964	7.3
87.00890	6.8
89.02441	2.1
96.96014	4.3
98.20760	3.3
101.02451	5.2
111.04535	2.3
113.02442	2.7
113.06123	2.2
115.00406	2.4
115.07665	3.3
116.92868	3.9
121.02961	15.5
123.08128	2.2
124.01605	2.2
125.02446	3.1
127.00418	2.1
137.02377	2.5
141.05594	2.5
141.09183	3.1
147.04485	2.5
149.06081	3.0
151.07625	10.6
153.09204	4.0
167.10741	3.4
171.10289	3.0
173.06172	2.6
175.02408	3.9
189.09261	2.6
191.10756	2.2
207.10277	21.0
226.72757	1.8
241.18034	3.0
247.13380	7.6
259.19147	20.2
265.14355	11.1
283.15500	100.0
284.15860	8.5
295.09686	5.2
394.30566	2.3
402.36987	2.2
403.23361	30.8
404.23727	3.3
421.24408	32.4
422.24506	4.4
445.24277	3.1
463.17511	5.7
463.25333	10.4
464.25879	2.9
669.38708	7.1
683.65497	2.0
687.39423	13.6
729.40826	5.5
730.40833	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	773.397
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	36.1
61.98828	14.8
71.01380	10.8
71.54987	2.5
72.99289	3.8
73.02942	4.9
75.00890	2.2
85.02948	8.2
87.00873	5.6
88.98826	3.0
89.02446	2.5
89.89772	1.6
96.96005	5.9
99.00930	2.1
101.02441	5.2
111.04527	2.1
113.02464	3.4
115.00390	2.7
115.07646	3.2
115.69064	1.8
116.92861	6.9
121.02963	2.8
122.03744	2.7
125.02467	3.5
127.00419	1.7
135.08203	2.2
139.07591	2.3
140.03148	1.9
141.09244	2.7
147.04529	3.4
150.06863	2.1
151.07616	11.2
153.09213	4.4
171.10263	2.4
173.06044	2.2
175.02463	2.4
189.09242	2.6
191.10757	2.1
194.94377	1.8
207.10254	17.8
241.17899	3.6
247.13374	5.0
259.19086	16.3
265.14526	10.4
267.15811	2.8
283.15506	100.0
284.15762	8.1
295.09756	5.9
324.14905	1.9
371.71408	2.0
403.18539	2.6
403.23373	28.7
404.23712	3.7
421.24481	26.1
422.24966	2.6
445.24802	3.0
463.25491	12.3
464.25516	2.0
491.28433	3.3
669.38440	6.7
687.39856	9.5
688.39581	2.4
729.39685	6.0
758.96509	2.7
773.46027	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	773.3267
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98820	0.7
63.28691	0.2
70.71975	0.2
78.95901	8.0
79.95744	3.5
86.05132	0.2
94.92489	0.3
94.98088	0.2
96.96012	100.0
96.96918	10.1
97.02928	0.2
97.95934	0.4
114.17755	0.2
120.56601	0.2
126.88659	0.2
156.75081	0.2
159.25908	0.2
195.58081	0.2
200.41980	0.2
263.96021	0.2
277.21738	0.3
397.13565	0.4
435.08170	0.3
453.09180	0.6
496.77856	0.2
540.65601	0.2
588.99878	0.2
713.31067	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.3963
Annotation	Unknow
Peak:m/z	Relative Intensity
56.07726	1.0
57.03445	2.0
59.01379	44.3
61.98829	12.9
69.03458	1.7
70.69608	2.6
71.01390	10.2
71.25629	1.0
72.99307	4.0
73.02942	4.7
75.52708	1.0
83.01366	2.2
83.04972	1.7
85.02940	3.9
87.00877	5.4
88.98808	2.7
89.02439	3.7
96.96002	4.1
97.02953	1.1
99.00876	1.5
99.04523	2.6
101.02457	5.3
103.00362	7.4
113.02458	3.4
113.06079	2.0
115.00318	1.5
116.92864	1.4
119.05003	1.4
121.02941	1.9
123.04498	1.3
125.02450	2.5
127.00379	3.2
129.01968	1.3
135.02934	1.5
135.08153	1.5
136.05247	1.7
137.06087	1.3
138.28397	1.0
147.04489	3.8
149.06073	10.5
150.06863	92.6
151.07150	5.9
157.01419	2.2
161.04642	1.9
162.06874	1.8
163.03986	1.3
163.07643	16.9
164.08405	14.6
165.01863	1.1
165.09061	1.5
169.01483	2.3
175.02449	1.9
176.08409	2.0
177.09239	2.5
178.09996	3.9
179.07166	1.7
179.10764	47.2
180.11098	2.3
184.64233	1.2
192.20723	1.1
193.08531	1.3
217.03870	1.1
287.03964	1.5
295.09583	5.3
305.04810	1.3
315.21680	2.0
319.22446	1.3
327.21841	2.4
358.52927	1.0
430.30621	1.3
431.66986	1.1
448.32001	15.8
449.32269	2.6
462.33270	7.7
463.34277	100.0
464.34558	19.1
477.32138	5.5
489.32208	1.8
493.31601	1.5
494.32089	1.5
495.33334	6.6
507.33295	10.0
508.33472	1.2
525.33936	1.8
625.39838	5.2
626.39008	1.4
639.37390	10.3
640.37946	2.9
651.37561	5.9
655.36786	1.7
669.38104	11.6
670.38361	2.4
687.39838	6.4
688.39661	1.9
729.40479	57.9
730.41064	15.8
773.39331	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	773.3239
Annotation	Unknow
Peak:m/z	Relative Intensity
55.90050	0.9
57.03452	2.4
58.00599	1.1
59.01379	100.0
60.01717	2.0
61.98835	8.6
65.81104	0.8
69.03480	1.1
71.01382	40.3
72.01736	1.3
72.99306	4.2
73.02950	17.0
75.00898	1.3
81.03453	1.5
82.47288	1.0
83.01386	5.0
85.02947	14.4
87.00878	4.3
88.98816	0.9
89.02448	18.4
95.01377	4.8
96.96021	3.3
97.02966	1.4
98.20683	1.8
99.00881	2.8
101.02446	22.3
102.68041	0.8
105.01883	1.4
107.38448	1.0
109.81215	0.9
113.02447	27.0
114.02788	1.5
115.00331	0.9
119.03474	5.9
122.22585	1.0
125.02427	3.9
127.00412	1.0
131.03511	1.6
136.05298	1.0
139.00418	2.5
141.01967	1.0
143.03542	5.1
147.04543	2.2
149.04622	1.7
155.03453	1.2
157.01407	1.5
161.04562	9.2
175.02481	2.5
177.09280	1.5
179.05675	5.4
181.12318	1.7
188.44211	1.0
203.97787	0.9
205.10492	1.0
207.11752	1.2
221.06444	1.2
233.09576	1.1
236.89024	1.2
283.15482	1.5
295.09772	3.8
311.09399	1.1
365.02310	1.0
447.18707	3.2
565.30316	7.1
566.30542	1.6
583.31201	24.5
584.31262	6.4
601.32239	11.1
602.32709	2.3
625.32153	4.4
643.33234	8.9
644.33014	2.3
685.33582	1.3
729.39722	2.6
733.18396	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.324
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.7
57.03443	1.3
58.00608	1.3
59.01379	100.0
60.01714	1.7
61.98833	3.1
69.03457	2.5
70.96480	1.3
70.96814	0.9
71.01382	43.0
72.99316	2.5
73.02946	38.1
74.03271	0.8
75.00893	1.2
78.45330	0.6
83.01393	11.6
85.02950	10.1
87.00893	1.9
89.02444	17.7
90.02773	0.7
93.71456	0.7
95.01407	3.3
96.96059	1.2
97.02958	1.3
99.00874	1.4
101.02445	36.2
102.02818	1.0
113.02453	27.0
115.00418	0.8
119.03513	8.4
125.02490	2.5
131.03549	4.1
143.03499	5.9
147.04591	1.0
149.04562	4.4
150.06839	3.6
155.03534	2.0
161.04550	11.5
163.07680	1.2
164.08447	1.1
179.05611	5.7
179.10828	2.4
203.05693	1.7
217.35840	0.7
221.06741	1.0
295.09741	1.4
311.09360	1.1
329.59778	0.8
430.43356	0.7
462.33551	0.9
525.34540	1.3
565.30408	1.0
583.31287	4.5
601.32660	1.4
625.32898	2.1
626.33179	0.8
643.33008	4.8
644.34375	1.8
655.36615	1.0
729.40570	7.6
730.41125	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	773.3271
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01343	0.2
61.98822	0.4
62.68805	0.2
68.21535	0.2
72.42546	0.1
78.95903	9.5
79.95731	3.3
83.05702	0.1
94.92491	0.2
94.98095	0.4
95.75792	0.1
96.96013	100.0
96.96922	12.0
97.95941	0.5
149.85028	0.2
165.17386	0.1
177.17047	0.1
198.93852	0.1
237.11627	0.2
277.21750	0.3
296.48508	0.1
299.04959	0.2
307.71738	0.1
361.04742	0.2
397.13449	0.3
407.17667	0.2
415.14651	0.2
435.08307	0.5
453.09229	0.7
713.30609	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.3237
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74574	0.9
55.01869	1.6
57.03444	2.0
58.00587	1.6
59.01377	100.0
60.01718	1.1
61.98820	3.1
69.03425	2.2
70.68922	2.1
70.69288	1.9
71.01382	50.4
72.99290	2.9
73.02550	1.7
73.02946	26.4
83.01388	8.0
85.02952	16.1
87.00880	6.1
87.01348	1.2
89.01925	1.7
89.02444	21.5
91.34907	0.9
95.01379	6.4
97.02949	1.5
99.00872	1.6
101.02440	27.2
113.02447	34.5
114.02705	1.1
117.90750	0.9
119.03484	9.0
125.02490	5.1
131.03484	2.9
136.46072	0.9
143.03532	4.9
144.38792	1.0
149.04498	3.4
152.65208	0.9
161.04559	14.0
175.02293	1.0
179.05612	6.4
203.05534	1.5
221.06677	1.6
295.09778	1.4
296.09897	1.0
305.77051	1.0
334.31128	0.9
548.06329	1.0
565.30316	5.3
583.31201	25.1
584.31732	5.0
601.32233	10.6
602.32288	2.2
625.32117	5.2
626.31628	1.3
643.33447	12.1
644.33136	2.1
729.37793	2.2
741.95380	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.2295
Annotation	Unknow
Peak:m/z	Relative Intensity
56.79580	0.3
57.03193	0.5
57.03450	5.4
57.61631	0.3
58.81678	0.3
59.01379	10.3
61.98825	0.7
62.20926	0.3
69.27494	3.1
71.01386	1.3
72.70454	0.3
72.99313	1.1
77.85535	0.3
82.46801	0.4
83.01379	0.4
85.02940	0.4
87.00888	0.9
89.02465	0.5
105.70780	0.3
107.01392	0.6
108.02232	0.5
119.08664	5.7
120.08970	0.4
121.02950	0.9
121.06604	1.4
125.02451	0.5
134.03783	0.4
137.09720	29.8
138.10037	1.8
147.04498	0.5
149.09756	1.2
151.00345	1.6
151.11337	0.6
161.09753	2.0
167.14375	0.6
177.12843	7.2
178.13188	0.4
178.99902	1.2
193.12334	0.6
221.11841	5.6
222.12212	0.5
227.03525	0.5
235.13420	0.5
236.13351	0.3
237.09183	0.7
239.12878	100.0
240.13232	7.3
240.15480	0.3
243.02954	0.8
255.02924	2.5
271.02521	4.6
272.02917	0.7
281.13934	50.8
282.14301	4.5
300.02750	9.7
301.03497	7.7
302.03644	0.7
447.09308	16.0
448.09769	2.5
572.39862	0.4
751.41669	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.3232
Annotation	Unknow
Peak:m/z	Relative Intensity
56.02948	1.2
57.03450	2.4
59.01379	14.2
61.98831	68.6
71.01382	15.6
72.99303	4.1
75.00871	10.4
75.27444	1.7
81.03478	1.8
81.16761	1.2
85.02952	16.0
87.00867	6.8
88.14191	1.6
89.02454	4.6
91.05530	12.1
91.14738	1.3
95.01396	4.2
99.00887	4.4
103.00347	1.8
113.02457	23.6
117.01877	1.3
117.03446	2.3
121.02984	7.4
135.02963	1.5
135.04514	4.8
157.01459	1.6
166.77155	1.4
175.02428	2.8
205.07152	1.5
227.03563	2.2
249.06131	22.2
255.03032	7.3
256.03366	6.9
267.04318	3.2
267.07193	58.5
268.07535	1.7
279.55121	1.7
283.02509	19.0
284.02979	18.8
285.03851	14.9
286.04327	5.0
385.11383	100.0
386.11768	10.0
430.09012	2.8
431.09326	4.7
458.35971	1.8
492.74863	1.5
521.20026	1.8
558.77472	1.7
563.13605	7.2
564.14447	18.5
710.20178	27.1
711.19977	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	773.3239
Annotation	Unknow
Peak:m/z	Relative Intensity
55.90050	0.9
57.03452	2.4
58.00599	1.1
59.01379	100.0
60.01717	2.0
61.98835	8.6
65.81104	0.8
69.03480	1.1
71.01382	40.3
72.01736	1.3
72.99306	4.2
73.02950	17.0
75.00898	1.3
81.03453	1.5
82.47288	1.0
83.01386	5.0
85.02947	14.4
87.00878	4.3
88.98816	0.9
89.02448	18.4
95.01377	4.8
96.96021	3.3
97.02966	1.4
98.20683	1.8
99.00881	2.8
101.02446	22.3
102.68041	0.8
105.01883	1.4
107.38448	1.0
109.81215	0.9
113.02447	27.0
114.02788	1.5
115.00331	0.9
119.03474	5.9
122.22585	1.0
125.02427	3.9
127.00412	1.0
131.03511	1.6
136.05298	1.0
139.00418	2.5
141.01967	1.0
143.03542	5.1
147.04543	2.2
149.04622	1.7
155.03453	1.2
157.01407	1.5
161.04562	9.2
175.02481	2.5
177.09280	1.5
179.05675	5.4
181.12318	1.7
188.44211	1.0
203.97787	0.9
205.10492	1.0
207.11752	1.2
221.06444	1.2
233.09576	1.1
236.89024	1.2
283.15482	1.5
295.09772	3.8
311.09399	1.1
365.02310	1.0
447.18707	3.2
565.30316	7.1
566.30542	1.6
583.31201	24.5
584.31262	6.4
601.32239	11.1
602.32709	2.3
625.32153	4.4
643.33234	8.9
644.33014	2.3
685.33582	1.3
729.39722	2.6
733.18396	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.1937
Annotation	Unknow
Peak:m/z	Relative Intensity
57.46340	0.6
59.01378	3.0
61.63172	0.5
61.98830	100.0
69.42763	3.7
71.01389	3.1
73.02934	0.7
75.00873	1.6
85.02953	3.6
87.00861	1.4
89.02435	1.2
91.05540	2.2
93.03465	0.7
95.01397	0.7
98.19833	0.6
99.00880	1.3
109.40049	0.6
113.02450	5.1
121.03025	0.7
135.03032	0.7
135.04575	1.3
157.18285	0.6
183.04660	0.6
205.79199	0.6
211.04106	0.9
227.03539	4.8
249.06158	3.7
255.02983	20.6
256.03461	1.8
267.07193	10.1
283.02475	39.8
284.03189	19.9
285.03989	14.2
286.04395	1.7
385.11377	17.2
385.16168	1.0
430.08963	8.3
431.09677	1.8
477.48926	0.6
563.14050	31.1
564.14105	5.7
709.19824	36.8
710.20068	9.0
788.94324	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.4472
Annotation	Unknow
Peak:m/z	Relative Intensity
56.57560	0.2
61.98831	100.0
67.04239	0.2
75.94846	0.2
78.95918	1.0
79.06467	0.2
97.31584	0.2
105.20044	0.2
140.01244	0.3
154.61696	0.2
169.63475	0.2
199.11217	0.2
267.19653	0.7
268.20126	0.9
269.20496	0.4
277.21487	0.2
279.23471	0.2
293.17609	0.4
294.17902	0.3
295.18237	0.3
305.86700	0.2
311.18555	0.4
312.19025	0.7
313.19394	0.3
658.28851	0.2
772.46521	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	771.3809
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	4.3
58.74414	3.7
59.01378	58.7
59.02039	3.4
61.98832	80.5
71.01379	16.9
71.55067	5.6
72.99307	10.0
73.02948	8.8
79.00208	3.6
81.28625	3.5
83.01370	6.2
85.02967	8.9
87.00876	9.5
89.02435	5.0
96.96006	8.7
101.02449	9.4
109.06548	4.2
113.02438	9.6
113.06101	5.8
116.92824	4.0
121.02872	4.0
125.02436	4.3
134.16258	3.7
137.02397	7.0
149.06073	4.3
151.07617	17.7
153.09122	3.7
207.10211	23.1
209.11745	4.3
243.96199	4.1
247.13428	7.2
257.17542	21.6
265.14319	7.5
283.15479	100.0
284.15878	8.9
295.09753	10.0
296.10391	3.3
311.09003	5.3
366.48312	3.9
401.21793	32.6
419.22870	31.9
461.23697	14.9
558.81482	4.3
565.82043	4.0
667.37115	11.8
685.37616	14.1
727.37683	10.6
771.21277	4.2
772.45441	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	771.3804
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	4.3
59.01379	79.7
61.98533	2.5
61.98832	27.0
69.26730	1.8
71.01385	32.3
72.99300	7.0
73.02940	16.6
75.00867	3.6
83.01376	6.1
83.05031	2.1
85.02942	11.6
87.00883	9.6
88.98816	2.3
89.02443	9.9
96.95998	4.6
97.02965	2.6
97.06551	2.4
98.38518	1.8
99.00872	3.8
99.04515	3.0
101.02439	21.0
102.13918	2.1
103.00368	5.3
111.00920	2.4
113.02459	17.0
115.00348	2.4
119.03506	2.7
121.02850	1.9
123.04578	2.8
125.02402	4.0
129.01900	2.4
132.83585	1.8
135.08200	2.0
136.05284	3.2
136.25131	1.8
137.06155	3.3
139.00331	2.7
139.07646	1.8
139.20662	2.4
145.01405	3.2
147.04541	4.4
149.06033	4.7
150.06866	96.3
151.07216	3.1
157.01422	3.0
157.08679	2.4
161.04514	4.3
162.06894	3.9
163.07668	16.3
164.08427	18.2
171.10211	3.5
175.02477	2.2
177.09140	2.6
178.09972	3.4
179.10770	53.8
191.02008	2.2
209.08203	3.5
215.12865	7.5
233.09567	2.9
235.05949	2.4
241.14395	3.5
251.10779	2.8
285.17023	3.9
293.08957	3.8
295.09650	7.0
299.01816	5.4
301.20294	4.3
311.09235	4.3
320.19980	2.3
325.20123	5.4
365.23114	6.4
446.30258	6.4
447.31021	2.9
457.29315	2.4
460.31796	4.5
461.32724	95.8
462.33078	17.3
487.30835	2.9
493.31927	4.3
505.31494	10.5
506.31607	2.3
523.32867	12.6
562.10925	2.3
601.63763	3.5
602.76135	2.5
623.37836	5.3
626.09851	1.9
637.36060	9.5
649.35693	3.8
653.35809	2.4
667.36993	9.9
685.37903	5.9
686.48987	2.3
704.14276	2.2
727.39124	100.0
728.39276	28.2
771.40118	3.2
774.92700	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	771.3114
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	0.4
61.98823	0.5
70.10570	0.7
71.01379	0.2
73.02947	5.6
74.02468	0.2
75.00866	0.2
75.44906	0.1
99.00858	0.8
99.92585	12.0
100.92601	0.6
114.93414	0.5
116.03635	0.1
116.92861	100.0
116.97244	4.0
117.01939	10.5
117.92867	5.6
118.02249	0.2
255.23126	0.2
313.19073	0.4
397.13736	0.2
425.32181	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.381
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	2.2
59.01377	14.2
61.98833	12.9
67.42464	0.9
71.01383	6.6
71.55894	1.5
72.99306	2.9
73.02946	4.5
75.82938	1.1
81.03485	1.2
83.01375	2.7
85.02961	2.1
87.00881	5.3
88.98800	2.7
89.02451	2.4
96.96013	5.2
97.02957	1.1
99.00890	1.3
99.04552	1.7
101.02456	4.5
105.01915	1.2
113.02454	3.6
115.00373	1.9
119.03522	1.6
119.05045	1.4
121.02963	3.5
123.04552	1.7
125.02455	1.6
127.00335	1.4
135.02991	1.4
135.08115	1.2
136.05313	1.0
137.02432	1.4
137.06076	1.3
139.07658	0.9
145.01431	3.3
147.04486	2.3
149.06111	3.2
150.06866	53.9
151.07314	3.0
156.17908	1.0
157.01474	1.4
157.08714	1.8
161.04530	0.9
162.06836	2.8
163.07657	11.2
164.08446	9.5
165.05379	1.1
165.09048	1.1
169.01534	1.0
171.10323	1.9
175.02435	1.5
176.08250	1.2
177.09253	1.4
178.09932	1.6
179.10759	25.6
180.11055	1.3
203.10866	0.9
271.02451	1.6
272.63696	0.9
285.04092	1.1
295.09802	3.5
299.02032	1.9
300.86737	1.1
301.03082	1.0
301.20230	1.9
311.09268	2.1
313.20309	1.9
319.19342	0.9
320.19989	1.3
335.22354	3.4
343.21228	3.0
364.22717	1.6
408.62836	0.9
427.54358	1.1
443.31641	4.0
460.31720	1.5
461.32581	3.8
463.34604	1.0
477.32123	3.1
493.31702	2.2
505.31607	4.0
506.31387	1.4
522.31897	2.1
523.32825	16.6
524.33148	3.3
623.37610	1.4
653.35431	1.7
667.37939	2.1
685.38611	3.2
709.37854	2.6
727.39093	100.0
728.39557	25.4
771.19708	1.6
771.39417	1.8
772.37433	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	770.459
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	5.4
61.98830	10.8
70.76988	2.2
71.01390	1.0
78.95905	50.7
96.96948	1.7
101.02404	1.7
102.07368	1.1
122.00135	3.5
122.03735	1.3
134.98499	1.4
140.01189	15.3
152.99620	6.7
160.53751	0.9
167.14404	3.1
183.13911	3.1
195.13879	3.2
196.03793	11.7
196.14255	2.3
207.17520	1.3
213.14958	24.4
214.15295	8.6
223.20644	2.7
231.17577	1.2
249.18613	10.4
253.09247	4.2
267.19650	98.8
268.19949	9.2
275.16528	12.9
277.21719	15.1
278.22079	10.4
279.23264	28.8
280.23621	2.6
293.17584	50.5
294.17850	3.8
311.18643	48.7
312.18985	4.7
336.89340	1.0
414.67075	1.1
428.05310	1.0
429.17044	2.4
447.17728	2.6
454.35992	1.0
476.27649	5.0
490.22327	10.4
491.22607	1.6
770.46124	100.0
771.46582	26.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.1991
Annotation	Unknow
Peak:m/z	Relative Intensity
69.54169	2.7
69.54577	1.1
83.01381	0.7
107.01396	0.8
109.02987	0.5
119.05028	0.7
151.00374	3.6
171.04453	0.9
175.04016	1.0
178.99797	1.1
199.03993	3.2
201.01981	1.0
215.03464	1.6
227.03468	2.2
243.03033	3.2
254.02197	0.7
255.02934	1.5
271.02472	50.0
272.02805	4.2
285.04083	0.6
299.01962	100.0
300.02536	16.4
301.03485	7.8
462.08041	22.2
463.08630	3.7
609.14569	9.1
610.14838	1.7
733.04742	0.5
771.19904	43.4
772.20270	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	771.3085
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.6
56.72971	0.8
57.03443	2.1
58.00600	1.4
59.01379	100.0
60.01700	1.3
61.98834	16.7
65.11231	0.8
68.99834	1.2
69.03474	1.8
69.52972	6.5
71.01382	50.8
72.99313	6.4
73.02944	28.2
75.00879	1.2
83.01385	11.0
85.02952	15.8
87.00859	4.8
88.98811	1.1
89.02443	21.3
95.01382	4.0
96.96018	3.0
97.02942	2.5
99.00885	2.8
101.02444	28.8
102.02841	0.9
105.01935	1.7
111.00884	1.9
113.02454	32.3
114.02803	1.7
119.03505	9.8
125.02445	4.0
131.03523	2.8
132.08189	1.3
135.03006	1.2
137.64619	0.9
139.00346	1.0
143.03491	5.1
145.01346	1.5
147.04550	1.8
148.07738	1.1
149.04561	3.5
150.06827	1.6
157.01500	1.1
161.02432	1.0
161.04575	12.3
175.02534	1.3
176.07106	1.5
179.05580	7.4
203.05518	1.7
211.02528	1.1
221.47469	0.9
244.48784	1.0
251.10791	1.4
295.09763	4.5
310.33005	0.9
311.09409	1.4
382.50391	1.0
428.41476	1.0
535.09857	0.9
563.28632	2.1
581.29602	14.0
582.29871	2.3
599.30737	7.4
600.30969	1.4
613.30127	1.0
623.30402	2.8
641.31842	8.1
642.31396	1.4
727.39349	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	769.2556
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60028	0.8
55.01880	1.3
55.47873	0.8
56.31707	0.9
59.01379	31.4
61.98825	2.7
67.86481	0.8
69.03458	1.2
71.01387	16.1
72.99306	2.8
73.02947	10.7
75.00870	1.2
83.01415	4.2
85.02962	5.4
87.00874	4.0
89.02431	9.6
95.01376	1.1
97.02948	1.0
98.19939	2.0
99.00886	1.6
101.02450	12.1
113.02454	8.6
119.03477	3.4
129.01892	1.2
131.03513	1.3
131.49776	0.9
135.02994	2.1
143.03540	1.1
149.02357	1.3
150.03229	1.1
161.04474	2.0
165.04099	0.8
165.05536	1.3
179.05659	1.7
193.05034	1.1
199.76588	1.0
207.06529	0.9
223.06058	1.6
266.05679	1.1
267.06488	1.8
282.08917	2.6
283.09808	2.1
293.08258	2.2
295.09683	3.6
311.09283	4.3
312.09851	2.1
314.07932	2.0
321.58432	0.9
326.11652	9.2
327.12582	6.3
328.12457	1.0
335.43253	0.9
341.13803	8.7
342.14142	1.7
355.11908	4.2
356.12204	0.9
369.13449	2.4
403.14099	1.4
451.99179	1.0
470.15613	1.0
473.14365	2.2
485.18152	6.7
488.16830	7.1
489.17325	1.3
503.19244	100.0
504.19568	16.4
524.62518	1.1
545.20087	13.4
546.20886	2.0
581.01379	0.9
594.69641	1.0
634.14423	1.1
695.35181	1.0
784.92328	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.2555
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.0
57.03435	1.7
58.00582	1.7
59.01376	31.8
61.98826	2.4
62.13684	1.0
62.18938	0.9
69.03460	2.1
69.56445	0.9
71.01378	19.0
71.55556	1.6
72.99325	2.2
73.02946	11.7
75.00851	2.1
83.01376	3.7
85.02942	5.6
87.00874	2.6
89.02448	11.2
99.00895	1.7
101.02443	12.0
105.01892	1.6
113.02431	6.8
119.03491	4.1
125.02519	1.2
131.03554	1.4
135.02985	3.5
145.02919	1.7
147.04436	1.3
161.04582	1.3
179.05536	2.2
193.05045	1.1
223.06021	3.0
256.03534	1.1
268.07532	1.3
282.09070	2.4
283.09766	2.4
295.09689	3.5
309.11511	1.2
311.09253	4.7
314.08047	2.7
326.11508	10.2
327.12302	8.4
329.90311	1.0
341.10162	1.6
341.13815	7.4
342.14282	1.6
355.11755	3.4
403.14001	1.4
473.14426	3.2
475.43961	1.1
485.17993	6.5
488.16833	5.4
503.19226	100.0
504.19504	19.8
545.20203	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	770.4332
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
62.98557	0.2
69.97274	0.5
73.81652	0.1
128.61995	0.1
131.54124	0.1
138.46765	0.1
211.13512	0.4
212.13794	0.1
246.44905	0.1
277.21863	0.3
278.22107	0.3
283.53015	0.1
340.87457	0.1
406.83926	0.1
601.55225	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	768.3659
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	0.8
61.98829	100.0
62.98538	0.2
70.81958	0.1
70.84010	0.4
71.01415	0.2
72.99310	0.5
73.02943	0.2
81.59859	0.1
83.37160	0.1
85.02979	0.3
87.00893	0.4
87.51036	0.1
88.98828	0.2
92.10428	0.2
96.96017	0.4
119.05040	0.2
125.02475	0.3
126.85867	0.1
135.02975	0.2
147.04533	0.2
161.35712	0.2
172.02188	0.2
235.10863	0.1
283.02466	0.2
285.04160	0.2
290.64120	0.2
295.09793	0.6
309.20258	0.2
311.09174	0.2
362.14798	0.1
378.35400	0.1
395.12012	0.2
556.37842	0.2
682.06903	0.2
725.37970	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	768.4455
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47767	1.8
55.19306	1.7
59.01354	1.7
61.98841	3.6
62.08305	1.4
62.96394	1.8
73.37870	1.4
78.95909	47.6
93.81097	1.6
116.92870	3.1
120.35384	1.7
122.00126	2.2
136.05264	2.1
140.01189	10.9
152.99539	5.5
167.14397	4.2
193.15898	2.9
196.03732	9.2
223.20674	4.0
249.18526	12.5
267.19647	100.0
268.19916	9.0
275.16489	11.4
277.21710	21.1
278.21872	2.9
293.17606	47.0
294.17957	4.8
311.18643	58.5
312.18872	5.8
388.69830	1.7
429.16757	1.9
435.16183	1.8
445.10641	1.9
474.26257	5.2
490.21954	10.0
750.43109	2.3
768.44568	80.7
769.44714	27.6
794.77795	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.2553
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	52.6
69.03490	2.8
71.01385	23.1
71.55104	4.0
72.99301	6.2
73.02940	11.9
74.02472	6.9
83.01392	6.8
85.02951	9.1
87.00877	5.8
89.02454	8.3
95.01411	3.3
97.02971	2.3
99.00888	3.1
99.40741	2.5
101.02447	23.7
109.02950	2.3
111.93453	2.4
113.02457	10.4
119.03481	3.6
121.02922	3.3
125.02401	3.5
134.03696	3.5
135.03003	6.1
149.04556	3.3
151.00363	4.7
161.04585	7.0
193.05032	8.4
203.08281	4.7
235.03653	2.1
245.09367	13.1
246.09558	2.7
267.06741	4.1
269.08163	6.2
270.08890	3.7
271.02472	3.6
276.02432	2.3
279.44617	2.5
281.08173	12.1
282.08905	6.7
283.09753	10.3
295.09753	7.0
299.09247	5.2
300.02829	5.2
311.09213	18.0
313.03241	3.1
314.04419	5.8
314.11560	6.4
315.05081	17.7
315.12384	6.8
326.11588	14.5
327.12241	9.3
329.13885	12.9
341.13983	20.1
343.11942	2.8
355.11929	3.3
403.13760	2.5
407.96371	2.5
411.14685	3.1
455.13513	2.8
458.15866	7.8
461.10931	14.1
470.15808	5.1
473.18304	18.8
474.18716	3.5
476.16885	10.7
485.18265	19.2
488.17007	4.1
491.19220	64.4
492.19464	12.7
503.19177	59.5
504.19489	8.1
521.20233	7.1
533.20313	100.0
534.20660	15.8
545.20325	74.2
545.27264	1.9
546.20502	17.6
557.54834	2.7
563.20947	20.0
564.21899	3.0
623.15479	5.2
774.34741	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	767.2038
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	5.2
57.03431	0.7
57.11420	0.9
59.01376	5.6
67.01866	1.2
69.03455	100.0
69.51950	1.9
69.52368	3.5
70.03778	2.8
71.01385	4.6
72.99307	3.7
73.02927	0.9
79.01900	4.1
85.02944	3.8
87.00887	1.5
89.02447	1.2
93.03448	1.0
95.01397	3.6
97.02945	19.9
99.00874	28.8
99.41571	0.7
101.02419	1.8
111.00835	0.9
113.02439	2.2
115.89148	0.8
119.05055	2.0
122.03771	0.7
123.00896	2.0
131.03519	1.1
135.03023	1.9
141.01941	8.2
149.02452	4.2
149.06100	0.9
150.03212	5.7
163.03976	1.4
164.04794	3.1
165.05582	6.8
179.07048	1.8
185.00906	89.4
186.01233	3.0
193.01331	1.8
195.06607	4.6
208.03743	5.1
223.04077	1.2
223.06105	15.1
267.07126	1.2
283.02505	0.9
285.26437	0.8
311.09143	1.2
321.06842	0.9
342.05911	0.8
371.11441	1.3
379.19559	1.4
385.11514	1.7
419.13394	13.9
420.13806	1.7
581.18756	8.1
582.19342	1.6
614.56183	1.0
644.15161	1.0
767.20673	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	767.4587
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	12.1
61.98832	2.9
63.92316	0.2
69.03446	0.3
71.01385	1.9
73.15483	0.3
85.02942	0.9
89.02451	1.5
95.01397	0.3
100.17950	0.3
101.02435	1.6
113.02451	1.3
117.89166	0.2
161.04585	0.7
167.14407	0.7
177.43202	0.3
179.05620	0.4
183.13899	5.9
184.14182	0.4
193.12335	1.3
211.13385	100.0
212.13734	7.1
224.67612	0.3
235.08209	1.4
253.09314	6.1
254.09630	0.4
277.21710	51.3
278.22025	5.4
298.14502	0.3
429.21243	1.4
447.16672	0.5
447.22379	6.1
448.22586	1.0
486.22238	0.4
513.30518	0.5
707.44037	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.3548
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99307	19.1
61.98828	0.5
70.95118	0.5
71.01394	0.4
87.00878	1.5
88.00407	4.1
88.98808	100.0
89.02443	16.8
89.99155	1.1
90.02796	0.3
92.61541	0.2
93.37450	0.2
96.52412	0.2
101.02421	0.4
105.19631	0.2
177.70593	0.2
247.22470	0.3
271.43610	0.2
277.21884	0.7
309.37405	0.2
309.41238	0.2
397.13663	0.9
415.14651	0.6
512.13702	0.2
595.97357	0.2
652.39594	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.3549
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01399	0.3
60.42034	0.2
60.99309	17.6
61.98835	0.5
64.06643	0.2
71.01365	0.3
71.75396	0.3
83.08321	0.2
87.00889	1.1
88.00407	3.7
88.98809	100.0
89.02441	12.3
89.99134	1.2
90.02777	0.3
92.49306	0.2
148.90965	0.2
169.07175	0.3
169.84442	0.2
197.13179	0.3
277.21796	0.7
397.13568	1.0
398.13983	0.3
551.06873	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.4096
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98814	2.9
63.96231	2.2
68.78222	1.9
69.34153	18.2
71.01376	8.0
78.95914	2.6
78.98590	9.7
79.95724	11.7
80.96513	75.2
87.00852	2.6
94.98081	16.9
96.95968	2.2
97.68818	1.8
101.02420	2.9
106.98125	2.5
121.45577	2.1
122.97550	3.6
131.30464	2.2
134.97589	4.4
148.99106	6.6
150.24268	1.9
152.98570	5.7
164.98627	14.8
183.13820	2.4
206.99638	3.3
212.23851	2.0
224.98701	2.4
225.00754	24.1
255.23282	2.3
279.23672	2.9
294.57153	2.2
315.50204	2.3
509.17056	2.9
510.19757	2.1
710.68372	2.5
765.40985	100.0
766.41089	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	766.524
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00610	1.5
59.01380	51.9
60.01701	1.7
61.98817	4.5
65.95548	1.7
69.88180	7.6
70.63076	1.4
71.01383	33.9
72.04552	2.7
72.99319	2.3
79.53543	1.4
85.02950	5.4
87.00874	2.8
89.02448	43.0
95.01330	1.8
101.02450	23.6
113.02443	13.2
119.03509	23.0
131.03574	2.3
143.03494	5.1
149.04585	2.2
161.04539	5.9
161.32846	1.7
161.64900	1.5
176.92877	1.6
179.05602	19.7
225.22223	14.7
253.21700	2.7
271.22815	8.4
298.57950	1.7
310.94382	1.8
326.26993	40.5
327.27457	4.1
550.48572	5.2
558.58527	2.0
568.49664	5.2
639.26105	1.9
730.54742	100.0
731.55048	31.2
766.52673	16.2
767.52533	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	766.5241
Annotation	Unknow
Peak:m/z	Relative Intensity
55.76872	1.3
58.00593	3.1
59.01379	44.0
61.98837	3.0
65.01532	1.2
68.81348	1.1
71.01382	32.0
71.41316	2.3
72.99303	2.3
85.02950	4.8
87.00912	2.6
89.02447	41.7
95.01423	2.3
101.02435	22.1
109.01386	1.4
110.37543	1.3
113.02473	13.4
119.03502	23.1
131.03528	2.2
131.83540	1.4
143.03510	4.4
147.86748	1.5
149.04549	2.8
161.04558	4.8
179.05626	20.0
193.35823	1.4
225.22208	14.0
226.22444	2.2
227.15527	1.4
253.21707	1.9
260.92169	1.5
271.22797	5.8
326.23065	2.0
326.26959	38.9
327.27402	4.5
349.50320	1.3
550.48541	4.5
568.49390	5.0
599.47510	1.6
700.69910	1.4
730.54718	100.0
731.55060	28.3
766.52417	13.6
767.52863	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	763.2934
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	0.7
58.02982	6.1
59.01382	41.9
61.98833	3.1
65.04432	0.4
66.17085	0.4
69.40961	3.5
70.02977	5.5
71.01385	4.3
72.00902	1.7
72.04543	0.9
72.99306	1.3
73.02928	1.3
74.02474	39.0
85.02945	1.0
87.00890	1.1
89.02444	0.8
96.96031	1.0
98.02483	9.6
98.20629	0.7
101.02438	2.0
109.02945	0.5
113.02468	1.3
116.03561	8.7
116.05064	14.3
117.05378	0.7
119.03518	0.5
119.05037	0.8
127.00389	0.6
130.06616	1.7
134.03732	0.7
135.02985	0.7
138.06851	1.4
142.06618	2.7
146.03737	1.4
147.04477	1.0
149.02431	1.1
150.03210	3.3
153.09198	4.1
154.41100	0.5
159.09261	2.4
161.02460	0.9
161.04529	1.1
163.04001	0.8
164.04724	0.6
165.01956	1.3
165.05562	4.3
179.03467	2.0
179.05655	0.5
179.07121	1.6
180.04239	0.7
181.05095	0.8
183.09235	0.9
186.05626	1.2
193.05051	1.5
194.05811	1.4
195.06615	4.5
201.10316	4.2
203.08258	40.6
204.08569	2.4
207.06573	0.7
207.13872	0.8
209.08156	1.9
225.14972	6.8
226.15283	0.6
245.09303	100.0
246.09653	7.4
289.08310	1.0
321.14969	0.5
343.12097	0.9
369.19156	9.3
370.19684	0.9
380.08780	0.5
387.20212	1.3
421.15189	0.8
429.21310	11.7
430.21762	1.6
488.16205	0.6
555.13654	0.6
636.19238	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	764.4431
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
69.80732	0.3
69.81076	1.7
79.14882	0.4
96.86757	0.3
116.09756	0.3
155.58168	0.3
277.21783	0.4
765.41815	1.0
769.24506	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.4176
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	17.1
59.15345	2.1
60.85457	2.6
61.98820	9.2
71.01402	12.6
71.55709	3.2
72.99297	10.1
73.02940	4.1
85.02945	5.5
87.00877	8.6
88.98782	3.3
93.03434	3.0
96.96004	4.2
101.02422	3.8
105.01981	2.2
109.02979	2.7
111.00909	3.3
111.04538	3.3
113.02444	5.4
115.00360	3.2
119.04961	3.4
121.02936	3.6
125.02415	3.1
127.00380	6.0
135.23883	2.2
139.00322	3.5
147.04510	8.5
157.01421	4.0
165.01961	2.7
165.12857	20.0
171.04680	2.2
175.02419	6.2
178.08649	2.5
183.13904	92.8
184.14226	7.4
222.07622	2.5
227.12886	100.0
228.13210	10.9
233.09744	2.9
295.09677	16.5
311.09296	5.4
375.48651	2.4
460.37485	2.8
477.23462	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	761.2776
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02966	8.8
59.01379	37.9
60.14536	0.9
63.19434	0.9
68.87467	0.9
70.02970	7.4
71.01381	9.9
72.00919	1.9
72.04546	2.0
72.99298	1.2
73.02941	8.0
74.02475	45.9
80.77550	1.1
83.01376	1.5
85.02940	2.6
85.56047	1.0
87.00878	2.0
89.02428	1.5
97.02954	2.6
98.02479	10.2
98.20697	1.5
101.02453	5.3
113.02470	5.7
113.06059	1.5
116.03549	9.9
116.05061	18.7
116.05860	1.8
119.03493	1.2
119.05035	1.7
123.08155	1.6
130.06604	2.4
137.02368	1.2
138.06886	5.6
139.07646	2.8
142.06645	5.5
150.03201	1.6
151.07642	7.1
152.08455	8.2
153.09218	37.4
154.09537	3.0
159.09291	2.8
161.04532	2.6
161.55618	1.0
164.65126	1.0
165.05565	3.1
167.47830	1.0
195.06581	2.0
195.08202	1.3
201.10316	4.0
203.08263	47.1
204.08557	3.8
205.12337	13.5
223.13402	13.0
224.13818	1.2
245.09297	100.0
246.09669	7.8
361.58798	0.9
367.17624	13.3
368.17923	1.5
385.18597	5.0
427.14136	1.8
427.19745	21.7
428.19925	2.7
448.92352	1.0
473.14536	2.2
485.59943	1.0
543.86267	0.9
623.99945	1.2
651.85315	1.1
678.92676	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.3808
Annotation	Unknow
Peak:m/z	Relative Intensity
56.13513	1.2
59.01379	17.0
61.98828	11.2
69.31168	12.0
71.01399	7.5
72.99310	17.1
73.02945	4.0
75.00876	1.9
75.99415	1.5
83.01376	2.6
85.02971	2.6
87.00871	6.9
89.02451	3.4
91.50161	1.2
96.96001	3.8
99.00880	1.8
99.04517	2.8
101.02433	2.3
105.01932	13.5
113.02455	3.4
113.06129	1.4
115.00383	1.6
119.05025	3.1
123.04536	2.2
127.00381	2.7
129.01857	1.4
133.30768	1.2
133.62465	1.2
136.05299	2.1
136.81520	1.1
141.70001	1.3
147.04533	3.6
149.06079	8.9
150.06868	63.4
151.07260	4.0
157.01460	1.4
161.00864	2.1
162.06853	6.6
163.07661	15.0
164.08400	9.1
165.01863	3.5
175.02483	3.2
177.09215	2.5
178.09985	3.5
179.10760	32.1
180.10992	1.8
187.69102	1.4
211.02437	1.9
230.68013	1.3
233.74014	1.2
295.09778	3.5
309.04596	4.4
311.09219	2.4
315.21707	3.5
331.21228	2.8
342.04324	1.5
434.30396	7.3
434.35507	1.5
435.30774	1.6
448.31586	3.0
449.32614	9.6
450.33273	1.5
464.31711	1.8
465.32190	4.2
492.30597	1.6
493.31604	7.3
511.32419	12.5
512.33234	1.5
553.33765	3.1
655.37006	11.6
656.37378	1.9
673.38684	7.6
698.01587	1.5
715.39044	100.0
716.39471	23.2
759.34076	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.4089
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98821	6.6
69.47684	29.2
70.71535	3.7
71.01398	3.7
79.99911	4.6
98.50913	4.0
205.03093	4.2
209.11781	61.1
210.12286	3.8
227.12985	18.3
235.08260	14.4
236.34633	4.4
253.09265	7.5
277.21704	100.0
278.22034	10.8
290.23160	3.7
448.56985	4.3
725.46429	4.2
759.40979	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	759.2354
Annotation	Unknow
Peak:m/z	Relative Intensity
55.14144	2.0
59.01382	15.1
61.98814	4.4
68.99833	1.9
70.05639	6.4
70.06058	4.0
70.99702	1.8
71.01382	14.0
73.02945	6.6
75.78349	2.1
83.01389	5.3
85.02966	5.3
87.00870	26.8
89.02431	6.6
93.03471	3.8
95.01362	3.2
97.02913	2.5
98.20624	2.9
99.00870	5.9
100.01679	4.6
101.02441	6.9
111.00863	17.8
112.98795	2.6
113.02496	3.7
119.05010	50.4
120.05334	3.3
121.02957	3.3
122.03729	7.7
123.00871	8.2
123.04570	2.5
125.02399	3.9
127.03984	2.5
136.01700	2.7
137.02440	3.6
138.03252	2.6
142.99863	3.6
149.02423	15.9
149.05922	2.5
150.03232	70.3
151.00357	2.8
151.03906	7.9
153.01915	3.2
153.05605	2.9
161.02406	8.6
161.04616	2.4
162.03136	4.0
163.04010	58.0
164.04674	9.6
165.04185	5.1
165.05569	100.0
166.02698	8.4
166.05870	6.0
173.00883	4.8
174.01689	4.9
174.03090	3.3
175.03954	4.7
176.04802	7.0
177.01857	2.6
177.05544	4.9
178.06380	4.3
179.03476	8.0
179.07114	9.9
180.04250	7.2
181.05139	10.8
190.02780	2.5
191.03426	10.6
191.07143	8.0
193.08716	3.1
194.05835	10.4
195.06606	36.8
203.03603	2.7
205.05023	4.1
206.05844	9.3
207.06650	4.5
209.08105	8.7
211.07642	2.9
219.02925	4.4
219.06572	2.5
221.08260	11.4
222.05275	2.4
234.05417	3.2
235.05974	2.5
247.02382	5.8
249.07823	6.4
261.04022	5.0
262.04831	8.3
263.05408	4.5
264.06458	5.9
265.07092	6.6
276.06451	10.1
277.07083	12.4
278.07864	2.7
313.09320	4.6
322.07013	4.5
325.09302	7.7
337.09280	47.7
357.13239	2.5
393.98679	2.1
409.18320	2.4
461.14676	19.2
462.14920	3.0
465.35623	2.2
519.14960	4.2
521.16718	7.1
533.16687	10.6
579.17285	54.4
580.17236	10.6
597.15741	3.1
623.19824	14.3
624.20764	3.6
635.90051	2.2
674.82263	2.3
759.23541	99.1
760.23755	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	759.2359
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	10.0
59.30122	1.8
61.98821	2.2
66.23944	1.8
69.03452	2.9
70.12755	5.7
70.13171	3.1
71.01381	10.7
72.99323	3.0
73.02943	6.4
74.77277	1.7
75.00883	1.7
83.01379	5.9
83.43327	1.9
85.02953	4.7
87.00877	38.2
89.02451	2.2
93.03454	3.0
99.00874	4.8
100.01657	3.2
101.02464	4.9
102.42650	1.7
109.02921	3.3
111.00874	27.2
112.98812	3.0
113.02431	3.8
116.92893	2.4
119.03535	2.6
119.05018	9.0
121.02938	4.2
122.03751	10.1
123.00859	6.2
125.02443	4.0
127.04013	2.4
129.01888	2.9
130.55852	1.9
133.02934	2.8
134.03683	2.4
135.04501	2.1
136.01627	2.1
142.99829	3.6
147.04475	2.6
149.02457	22.9
150.03218	71.2
151.00336	3.5
151.04045	9.1
153.01939	3.0
153.05608	3.1
161.02431	10.1
162.03197	3.3
163.03954	9.5
164.04793	12.9
165.05565	100.0
166.02715	8.5
166.05934	7.0
167.03378	1.8
168.04259	2.5
173.00935	4.6
174.01743	2.1
175.04045	4.9
176.04752	9.3
177.01897	2.1
177.05464	4.1
178.06384	2.9
179.03499	8.0
179.07133	12.6
180.04266	7.1
181.05049	11.5
183.06638	8.1
189.05568	3.0
191.01968	2.1
191.03510	8.3
191.05597	30.3
191.07150	3.4
192.04167	2.9
194.05811	12.1
195.06633	30.6
197.12009	1.7
205.05016	5.0
206.05852	6.3
207.06586	3.1
209.08208	14.0
219.03053	5.0
219.06581	3.8
221.08136	5.0
222.05278	2.0
233.04475	2.3
234.05313	3.5
235.05910	2.4
237.07655	3.2
247.02411	2.4
249.03941	3.6
249.07664	10.2
261.04004	5.5
262.04761	6.8
263.05591	2.4
264.06378	14.0
265.07034	9.9
271.02356	2.7
271.06198	4.6
272.02835	2.1
276.06445	3.0
277.07181	8.9
286.08478	4.2
289.07263	2.3
291.08817	3.2
299.01913	4.9
300.02274	3.0
301.02814	3.3
301.10742	7.9
322.07031	5.0
327.10974	3.3
337.09198	22.8
338.09665	2.3
349.12543	3.5
353.08649	4.8
375.14252	3.1
413.12460	3.0
461.14536	23.1
463.08578	2.4
521.16870	5.1
533.16742	9.3
534.17023	2.0
579.17096	61.8
580.17297	11.2
597.13922	2.5
623.19623	9.9
683.21173	1.8
759.23523	96.5
760.23792	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	759.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.9
57.03453	1.1
59.01380	14.0
61.98832	13.2
64.40908	0.9
68.99815	3.8
69.06821	0.8
71.01383	13.6
71.56033	1.6
72.99301	3.9
73.02943	3.5
73.05135	0.8
75.00869	5.3
83.01402	3.5
85.02966	4.7
87.00877	13.2
88.98832	1.6
89.02441	7.8
89.08183	0.8
95.01390	1.1
96.96018	3.3
99.00896	1.7
101.02454	5.2
101.48045	0.7
103.00371	0.8
105.01983	0.8
111.00880	5.2
113.02473	4.5
115.00379	3.7
119.03519	2.9
119.05040	2.4
120.05273	0.8
123.04520	1.2
125.02475	1.7
125.46079	0.8
127.00378	56.3
127.04034	1.4
128.00693	1.4
129.01965	1.8
135.02922	0.9
135.04451	0.8
137.02454	0.9
139.00381	9.3
141.02002	0.9
147.04526	18.7
154.99806	1.1
157.01424	100.0
158.01770	3.1
161.04581	1.3
163.04015	0.9
165.01945	1.1
175.02487	2.8
179.05608	4.7
189.53317	0.8
205.10268	1.1
207.11848	1.5
208.44878	0.7
209.11815	1.8
211.02515	1.2
221.09821	1.5
233.09660	1.4
247.04486	2.3
251.10693	4.2
273.17151	0.9
283.15317	1.0
295.06400	1.7
295.09756	39.6
296.10211	5.1
301.05594	2.5
319.06689	44.0
320.07123	3.5
421.10840	2.1
435.22122	1.5
449.10175	4.0
450.10834	2.8
451.11865	3.8
457.12970	2.8
477.23538	2.5
481.11996	9.5
482.12338	1.0
488.27444	0.9
489.15924	1.0
520.08783	0.8
597.18201	1.2
613.17279	8.6
614.17371	2.4
759.22778	2.4
759.35242	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.2352
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	15.6
61.98837	3.9
71.01383	16.8
72.99277	3.7
73.02934	6.5
81.03441	3.3
83.01384	4.7
85.02966	7.5
87.00874	39.8
93.03468	5.3
95.01391	3.4
98.20655	7.7
99.00868	8.7
100.01656	5.6
101.02449	4.9
111.00886	15.9
112.98829	5.8
117.74751	3.1
119.05039	9.4
122.03725	5.9
123.00896	9.1
125.02433	4.6
136.01776	3.2
137.02458	6.5
138.03185	3.5
142.99823	4.0
149.02412	19.9
150.03230	64.4
151.00394	5.6
151.03949	10.4
153.05635	4.2
161.02472	7.4
162.03232	8.8
163.04001	19.3
164.04762	12.2
165.05569	100.0
166.02711	9.8
166.05884	4.5
173.00911	5.6
174.01630	4.4
175.04059	4.8
176.04753	7.7
177.01965	4.1
177.05528	5.9
178.06299	3.5
179.03488	8.1
179.07118	6.9
180.04289	5.6
181.05026	12.5
190.02667	4.9
191.03554	11.3
191.05617	35.8
191.07141	6.1
193.05095	7.2
194.05818	10.1
195.06595	35.1
203.03569	4.1
205.05113	4.8
206.05824	7.2
209.08205	12.6
219.03053	3.7
219.06596	4.2
221.08136	6.1
234.05397	6.9
237.07899	3.7
247.02554	4.8
247.06042	4.4
247.23109	3.6
249.07686	6.7
261.04059	7.5
262.04742	8.0
264.06332	7.4
265.07077	8.6
271.02417	6.4
272.02866	4.1
276.06284	7.1
277.07169	13.1
291.08456	3.1
299.01996	10.5
300.02451	6.1
301.02750	5.0
302.79147	2.9
305.06689	4.9
316.12009	3.4
322.06873	4.0
332.72363	3.5
337.09201	34.9
369.13333	4.1
461.14557	21.0
521.16296	4.6
533.16553	22.7
579.17053	63.8
580.17719	12.7
592.77374	3.6
623.19916	9.4
630.39716	3.5
759.23663	90.8
760.24042	22.3
780.03522	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	757.2922
Annotation	Unknow
Peak:m/z	Relative Intensity
54.96702	0.3
57.03437	1.3
57.74263	0.3
59.01102	0.6
59.01377	7.7
67.01871	0.8
68.99820	1.3
69.03453	0.9
69.38226	2.6
70.07216	0.3
71.01049	0.2
71.01380	8.6
72.99304	2.3
73.02937	0.8
75.00870	9.8
78.63052	0.4
81.03452	0.5
83.01405	0.8
85.02945	11.2
87.00875	3.4
89.02441	2.1
91.04025	0.3
93.03464	0.8
95.01391	3.4
97.02968	0.3
98.20652	0.6
99.00883	5.2
103.00365	1.0
109.02965	0.6
111.00864	0.8
111.04507	0.4
113.02450	12.1
114.02751	0.3
115.00364	1.0
117.01942	1.7
121.02953	51.1
122.03282	2.7
129.01920	1.1
139.00385	0.3
157.01405	0.4
159.17873	0.3
161.60564	0.4
169.05110	0.4
175.02452	1.2
189.04022	0.6
231.05075	3.7
249.06140	33.5
250.06491	2.1
255.03152	0.5
271.02527	0.5
284.03030	0.5
285.03851	0.4
299.02060	0.4
300.02686	1.2
301.03156	0.5
311.07452	0.4
353.08917	0.9
371.09805	100.0
372.10141	9.7
372.47433	0.4
436.22430	0.3
508.56158	0.4
595.13959	0.6
610.15552	0.4
611.15320	0.8
757.19763	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.4013
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21678	1.2
53.59956	1.3
56.28164	1.5
59.01380	17.5
60.01710	1.4
61.98827	22.7
63.87084	1.4
71.01385	7.5
71.55604	2.8
72.99301	3.9
73.02943	4.1
79.14473	1.4
80.33683	1.5
80.60474	1.5
83.01356	2.3
85.02949	4.1
87.00875	5.0
88.98790	3.0
89.02426	3.2
96.96008	1.8
101.02431	2.8
105.01907	5.1
111.31281	1.5
113.02451	3.1
115.00373	2.1
116.92801	2.8
123.08183	1.8
125.02417	2.0
135.03052	2.0
139.00360	3.1
147.04491	2.1
149.06027	4.2
150.06862	60.2
157.01328	2.0
162.06873	1.7
163.07626	13.1
164.08432	17.6
164.18631	1.7
175.02422	2.4
177.09245	3.3
179.10799	27.1
227.07724	1.5
233.09610	2.3
283.15433	2.5
285.03946	1.7
295.09711	7.0
311.09253	4.8
329.23343	21.4
330.23550	2.9
332.21747	1.8
475.24750	2.4
491.33707	5.6
494.32416	3.8
508.34097	7.5
509.34747	28.2
510.35001	3.4
713.41113	100.0
714.41370	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	759.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.2
61.98826	0.3
71.01398	1.3
73.02946	11.0
75.00827	0.2
87.00899	0.3
91.94044	0.2
97.93071	0.2
98.19820	0.2
99.00887	2.2
99.92586	11.0
100.92603	0.5
112.98589	0.2
114.05587	0.2
114.93431	1.2
115.00354	1.2
115.03989	0.2
116.03605	0.2
116.92861	100.0
117.01939	22.6
117.05572	0.2
117.92870	5.2
118.02270	0.4
119.82833	0.2
136.69858	0.1
142.39340	0.2
277.21835	0.7
278.22028	0.2
555.19312	0.2
556.18011	0.2
641.22803	0.3
642.22729	0.2
677.20306	1.9
678.20258	0.5
680.67816	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.1825
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73076	0.4
59.01371	1.0
65.00336	0.7
68.36207	0.3
70.08452	1.1
70.62325	0.4
71.01377	0.4
83.01423	0.4
107.01416	1.3
109.02951	0.7
112.70313	0.3
119.05022	2.8
133.03018	0.5
134.03706	0.3
135.00909	0.4
147.00899	0.6
151.00365	4.4
152.00725	0.6
163.00285	0.4
163.03993	3.6
165.05554	3.5
171.04559	0.8
175.03903	0.4
178.99889	1.1
187.03947	0.8
199.04022	3.2
200.04523	0.4
201.01955	0.7
205.03418	0.4
215.03499	1.2
226.02689	0.7
227.03526	3.2
228.03871	0.5
243.02927	4.4
245.58589	0.4
255.02968	3.4
256.03372	1.1
271.02469	56.4
272.02823	5.2
283.02399	2.3
284.02951	3.0
285.03543	2.4
286.04041	0.8
286.47421	0.4
287.04590	0.5
299.01956	100.0
300.02518	19.3
301.03470	7.7
302.03897	1.1
327.10757	1.4
328.11407	0.4
341.04904	0.5
418.43491	0.4
462.08005	25.9
463.08542	4.9
594.15375	1.2
595.13092	28.9
596.13385	4.7
625.15198	0.5
707.78735	0.5
757.18311	41.6
758.18646	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	757.258
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71232	0.2
59.01381	0.4
62.37629	0.2
62.79239	0.2
71.01394	0.5
71.55133	0.3
79.38082	0.2
93.03460	0.8
108.99483	0.2
113.02453	0.3
119.05028	100.0
120.05363	11.0
121.05576	1.1
125.02466	0.2
128.79700	0.2
151.00343	0.3
163.04007	98.3
164.04350	12.8
164.06401	0.2
165.04510	2.4
193.05148	0.2
205.05170	0.3
255.02924	0.4
256.03326	0.3
271.02533	0.7
283.02457	0.5
284.03058	0.5
285.03152	0.2
286.04108	0.2
299.01971	0.4
300.02551	0.4
315.01602	0.3
325.09274	10.7
326.09586	2.3
327.09970	1.7
355.08353	0.2
431.15540	0.7
594.16479	0.3
595.15308	0.8
757.19519	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.313
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	0.3
71.13677	0.4
76.84563	0.2
93.03467	0.5
96.40528	0.2
96.96011	1.5
104.31098	0.2
117.03489	0.3
119.05028	93.1
120.05359	4.1
122.39221	0.2
134.03757	0.3
135.55515	0.2
144.30769	0.3
151.00392	0.3
159.13187	0.2
163.04008	100.0
164.04346	5.3
178.02780	0.2
193.05017	0.6
227.03445	0.5
255.02953	3.3
256.03558	0.5
271.02490	0.8
283.02457	4.3
284.03201	2.4
285.04074	1.5
299.02002	0.7
300.02768	0.5
325.09280	15.6
326.09784	1.1
389.12381	0.2
446.08475	0.8
447.09354	0.2
593.15094	4.7
594.15668	0.8
609.15070	1.0
755.20648	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.2354
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	7.0
61.98830	100.0
69.66478	1.5
71.01379	1.2
72.99328	0.4
73.02959	0.8
83.01395	0.4
83.76343	0.3
87.00880	0.3
96.96032	0.5
98.19942	0.4
100.35865	0.3
100.76325	0.3
101.02469	0.8
113.02470	0.5
121.02959	12.6
122.03325	0.4
125.02423	0.6
138.09413	0.3
149.04550	0.3
161.04514	0.4
178.93259	0.3
187.07700	0.8
200.64648	0.3
205.08760	0.7
214.94362	0.3
263.12924	0.5
279.10559	0.3
288.47824	0.3
309.21335	0.3
317.41568	0.3
408.26718	0.3
409.15112	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.4178
Annotation	Unknow
Peak:m/z	Relative Intensity
54.86052	0.4
59.01370	0.6
61.98832	100.0
66.63228	0.3
78.95912	0.4
88.02776	0.4
180.86084	0.3
225.33925	0.4
277.21832	0.5
278.22113	0.9
297.31097	0.4
301.57504	0.3
335.27020	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.1828
Annotation	Unknow
Peak:m/z	Relative Intensity
58.25668	0.5
62.01552	0.6
69.81163	2.5
77.41290	0.5
81.03452	0.5
98.19978	1.0
107.01392	2.0
119.05018	1.4
125.02448	0.5
140.68683	0.6
145.13470	0.5
151.00334	4.9
163.03999	0.8
165.05606	1.0
175.04036	0.5
178.99831	1.1
187.04010	0.7
193.05049	0.8
199.03995	2.6
215.03445	1.5
226.02629	0.8
227.03447	2.9
243.02979	4.3
254.02187	0.8
255.02888	2.0
271.02460	50.3
272.02771	5.2
285.03937	0.5
299.01944	100.0
300.02521	21.0
301.03494	12.9
302.03882	1.1
341.04971	0.7
357.36795	0.5
462.07986	25.5
463.08588	5.6
565.15656	0.6
573.07251	0.6
595.13043	24.9
596.13324	4.9
757.18280	44.9
758.18500	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	755.2042
Annotation	Kaempferol 3-glucosyl-(1->4)-rhamnosyl-(1->2)-glucoside
Peak:m/z	Relative Intensity
53.84068	0.9
59.01374	4.2
63.02402	0.8
65.00321	1.6
69.46943	3.7
69.47346	1.9
71.01376	2.1
73.02937	1.0
73.17886	0.8
83.01398	1.8
85.02942	1.2
85.67509	0.8
87.00899	1.4
89.02439	1.6
93.03444	1.8
97.52928	0.7
98.20641	1.0
101.02407	1.3
107.01396	3.3
109.02974	2.1
111.00889	1.1
117.03449	0.9
119.05014	1.9
121.02930	2.9
125.02427	0.9
129.01944	0.8
134.03763	10.4
135.03062	1.0
137.02451	2.5
139.00360	1.0
143.05008	1.0
149.02428	2.0
149.06039	1.9
150.03227	4.2
151.00383	9.9
151.04016	1.5
157.01401	1.0
159.87741	0.8
163.00313	1.9
163.03964	1.4
164.04858	1.1
165.01903	1.7
165.05540	4.1
169.06654	0.9
175.02516	1.1
175.03946	1.5
178.02724	5.9
178.46275	0.7
178.99873	1.1
183.04494	1.3
185.05977	1.1
187.03990	1.7
189.05600	1.0
193.05064	17.0
195.06602	1.6
199.04024	2.8
201.05553	1.1
211.03984	2.7
212.30099	0.7
213.05528	0.9
213.51404	0.7
215.03497	1.2
223.80048	0.8
227.01355	0.9
227.03508	14.1
228.03735	1.3
229.05003	2.8
243.02971	3.3
244.03358	1.0
255.02971	37.7
256.03470	5.6
257.04529	2.5
271.02472	47.8
272.02820	3.2
283.02463	33.0
284.03226	39.1
285.04016	39.8
286.04330	3.3
289.98148	0.8
299.01965	72.7
300.02664	32.7
301.03500	23.8
302.03836	2.1
314.62976	0.8
327.05258	1.4
327.08768	1.4
341.10217	1.7
371.09900	2.1
389.12277	5.5
430.09067	3.3
431.09357	1.0
446.08459	11.2
447.09225	9.4
593.14911	8.7
594.15741	1.0
609.14587	100.0
610.14948	18.8
711.21228	2.1
755.20331	56.4
756.20648	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	755.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
54.70338	0.6
65.00333	1.2
68.18070	0.5
69.53848	3.7
70.91994	0.6
93.03473	0.7
98.20620	0.8
107.01400	1.6
117.03484	0.8
119.05029	0.9
135.00867	0.7
138.68388	0.7
141.21826	0.6
151.00383	3.4
169.01602	0.6
178.99806	1.2
183.04503	3.4
193.05225	0.6
211.03961	2.6
211.05829	0.6
219.95454	0.5
225.48265	0.6
227.03476	14.3
228.03984	0.9
229.05132	1.2
255.02979	56.5
256.03369	6.0
257.04474	1.6
283.02472	98.2
284.03201	49.7
284.06503	1.4
285.03989	35.2
286.04343	2.5
326.04044	1.3
327.05023	0.7
395.18176	0.6
429.07999	1.4
446.08484	15.7
447.08823	3.4
448.10178	0.7
593.15094	100.0
594.15393	18.0
635.16229	2.2
671.29810	0.6
702.01996	0.6
755.20361	12.4
756.21039	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	755.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
55.83901	0.4
59.01389	0.8
59.44365	0.5
65.00332	0.8
70.32173	1.8
83.32763	0.4
107.01382	1.3
109.02950	0.7
115.68709	0.5
131.65048	0.5
133.02927	0.9
134.03731	1.3
147.04401	0.4
150.03343	0.5
151.00357	4.5
165.05592	0.9
171.04475	0.8
175.03935	1.1
186.12352	0.5
193.05089	2.1
199.04021	2.9
201.01889	0.9
203.03621	0.6
215.03470	1.5
227.03526	3.1
243.02954	3.5
255.02992	3.6
256.03302	0.6
271.02466	52.7
272.02811	5.3
283.02493	2.1
284.03189	1.6
285.04041	2.5
299.01965	100.0
300.02499	17.0
301.03467	7.9
336.96240	0.5
341.10031	0.7
350.13712	0.6
431.09964	1.9
435.97314	0.5
446.08502	30.5
447.09000	7.7
547.57642	0.5
593.15430	2.9
609.14838	8.4
610.14655	1.9
711.39410	0.6
755.20386	49.0
756.20837	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	751.3429
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01300	0.2
61.98819	0.8
64.76749	0.2
71.01369	0.5
71.12038	0.6
73.10345	0.3
78.95905	9.2
79.95745	3.7
94.92485	0.7
94.98094	0.3
96.92226	0.8
96.96012	100.0
96.96923	13.0
100.13572	0.3
101.02422	0.4
160.09419	0.3
173.56143	0.3
201.04768	0.3
252.87508	0.3
255.23303	1.0
385.18835	0.3
397.13474	0.5
415.14536	0.3
435.08182	0.3
450.20175	0.3
453.09265	0.4
496.22003	0.3
515.03223	0.3
598.09216	0.3
624.80786	0.3
688.92139	0.3
691.32477	1.0
728.48096	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.3747
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49551	0.2
59.01382	1.2
61.98826	0.8
68.95601	0.2
70.13642	0.5
71.01387	1.0
72.99311	3.4
73.02962	0.3
73.70493	0.2
75.00873	100.0
76.01205	1.0
80.52513	0.2
85.02949	0.4
87.00888	0.2
89.02450	1.2
98.20000	0.3
101.02441	1.0
108.41692	0.2
113.02394	0.5
120.47115	0.2
121.45046	0.2
125.02402	0.4
131.46556	0.2
161.04581	0.3
235.08272	0.7
241.97966	0.2
265.59064	0.2
270.17352	0.2
277.21732	3.3
278.21875	0.2
292.75598	0.2
305.08820	0.2
350.58502	0.2
397.13467	6.3
398.13965	0.8
399.14063	0.3
415.14563	2.2
643.33392	0.3
749.93445	0.2
751.25403	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.443
Annotation	Unknow
Peak:m/z	Relative Intensity
58.71838	0.9
59.01377	14.8
61.98821	5.1
69.13261	1.0
71.01363	1.9
71.54852	1.2
78.95913	7.2
85.02947	1.9
89.02441	1.8
101.02419	2.0
127.50922	0.9
153.09126	1.1
153.12854	1.2
169.12300	2.4
197.11827	100.0
198.12204	6.3
235.08185	2.0
253.09262	6.9
277.21713	54.8
278.22101	5.3
416.22675	1.1
433.20889	5.0
475.38147	2.2
753.22144	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.2038
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09618	0.7
67.41730	0.6
69.32308	5.9
83.01400	0.7
86.07122	0.6
96.96036	1.9
98.19917	1.2
103.28121	0.6
107.01437	0.7
117.03461	0.9
119.05027	46.7
120.05382	1.7
131.63121	0.7
146.38724	0.8
151.00375	2.4
154.66783	0.6
159.04482	0.8
161.25529	0.6
163.04008	47.4
163.18689	0.6
164.04382	2.9
178.34148	0.8
178.99854	0.9
183.04488	3.2
188.27599	0.7
211.04077	2.0
213.05467	0.7
216.24118	0.7
223.89288	0.7
227.03511	12.9
228.03925	1.7
255.02991	63.5
256.03409	6.0
283.02481	98.1
284.03207	54.1
285.03955	19.4
286.04437	1.6
288.88855	0.8
309.04144	0.9
325.09238	6.9
326.04422	1.5
327.05008	1.2
429.08173	1.1
446.08572	12.6
447.08942	2.0
593.15094	100.0
594.15527	19.4
635.16418	2.2
731.49689	0.9
755.20349	8.8
756.21136	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	748.5134
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	27.5
61.98827	5.7
62.67542	1.9
63.33664	2.0
68.28388	2.3
70.40653	2.0
71.01377	24.1
72.99319	4.8
85.02950	4.5
89.02448	29.1
98.20675	4.5
101.02441	14.6
103.40383	2.2
113.02454	6.6
119.03525	16.4
143.03487	3.2
161.04576	5.2
178.53560	2.3
179.05602	11.0
180.03572	2.9
225.22234	5.3
229.05161	2.9
271.22812	3.2
532.47443	17.8
550.48297	7.1
712.53717	100.0
713.54004	33.2
748.51135	27.8
749.51282	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	750.2262
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	2.2
61.98830	100.0
62.98544	0.3
71.54600	0.3
94.04201	0.3
98.10779	0.2
108.06329	0.2
118.10693	0.2
129.22615	0.2
189.09845	0.2
252.20505	0.2
308.12299	0.2
330.03918	0.2
339.07315	0.2
391.24716	0.2
557.61432	0.2
616.20001	0.3
617.20569	2.0
750.24158	2.1
751.24243	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.3027
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	0.9
57.03456	2.2
58.00603	2.2
58.90694	0.6
59.01379	100.0
69.03472	1.9
69.54686	2.8
69.55111	1.9
69.80150	0.7
71.01382	54.1
72.99311	3.9
73.02949	25.9
74.02495	0.8
74.57814	0.8
75.00838	1.0
80.96016	0.7
83.01381	8.4
85.02953	11.7
87.00890	10.7
87.01395	1.3
89.02446	60.7
90.02818	1.0
95.01390	2.1
97.02943	1.8
99.00893	1.9
101.02444	48.2
102.02814	0.9
105.01948	1.0
113.02448	18.7
119.03507	7.4
121.02979	0.8
125.02498	1.9
127.00396	2.7
129.02000	1.1
130.66573	0.7
131.03502	29.5
131.04462	1.4
143.03506	3.8
149.04552	49.2
150.04953	1.5
157.01483	1.1
161.04584	7.4
169.01474	1.7
170.55650	0.9
179.05647	4.0
180.76044	0.8
191.05598	12.6
199.02586	2.1
221.06610	1.0
229.03557	2.4
233.06769	1.5
245.07101	0.8
245.09413	3.4
257.82382	0.7
293.08954	1.7
311.10046	1.3
475.10483	0.8
485.23972	4.0
537.51990	0.8
602.50592	0.9
647.29852	1.1
665.30450	1.5
707.32129	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	745.4299
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02996	21.2
61.98816	100.0
71.39008	45.2
74.11092	23.7
74.52695	20.6
75.57808	22.8
213.14899	37.7
244.47643	23.5
265.43961	23.8
281.24423	33.4
293.58316	29.6
321.86987	24.6
387.56116	26.8
392.87756	29.3
394.59561	27.1
618.25415	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	746.4616
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01352	1.6
61.98820	4.1
70.12894	1.1
71.50341	1.2
76.56550	1.0
77.47380	1.1
78.95903	42.1
79.74096	1.0
96.96951	1.4
110.07874	1.0
121.02969	1.9
122.00104	3.3
122.03720	2.5
140.01193	14.7
152.99550	7.1
167.14403	3.7
172.55466	1.1
193.15889	1.4
196.03818	10.2
207.17557	1.7
223.20662	2.5
225.71039	1.1
228.32335	1.2
239.64098	1.0
249.18576	11.7
250.18967	1.0
255.20645	1.7
255.23305	30.4
256.23654	3.4
267.19647	94.8
268.19958	6.6
275.16489	13.6
276.16766	1.8
293.17578	45.0
294.17953	3.3
310.24112	1.1
311.15070	2.1
311.18643	43.6
312.19138	5.1
447.17932	2.2
452.27875	3.6
490.21954	9.5
716.10614	1.3
746.46094	100.0
747.46222	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	747.2523
Annotation	Unknow
Peak:m/z	Relative Intensity
54.94698	0.8
59.01380	100.0
61.98824	1.6
71.01389	0.8
73.11598	0.8
78.95940	1.0
98.19871	2.5
105.09927	0.8
124.09550	1.0
350.83295	1.0
455.17343	2.4
473.18317	3.0
474.18646	1.3
496.13760	2.1
497.11725	1.0
510.15265	1.5
511.15591	1.6
512.13196	10.5
513.13715	2.6
526.15002	13.0
527.15729	5.2
569.16882	2.5
570.16846	1.3
599.18250	1.1
600.18811	2.0
601.19580	3.0
613.19409	1.5
614.20160	74.7
615.20355	22.3
618.15582	1.1
632.17621	2.6
646.19128	10.5
647.19598	2.9
673.21362	1.7
687.22943	6.2
688.23364	1.9
746.53400	1.5
747.25189	50.5
748.25372	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	743.3702
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.5
60.99307	16.5
61.98827	3.5
62.47081	0.2
72.43304	0.2
78.95892	0.4
87.00883	1.2
88.00398	3.7
88.01223	0.2
88.98807	100.0
89.02441	13.7
89.99134	0.9
100.46980	0.2
104.89948	0.2
125.19788	0.2
152.99562	0.3
201.11371	0.3
209.11789	0.6
210.12309	0.3
223.17638	0.2
229.07240	0.3
255.23357	0.9
277.21817	0.6
278.22134	0.3
279.23044	0.5
397.13480	1.1
507.27106	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.414
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98365	14.3
56.21806	14.7
61.98831	72.3
63.87040	14.6
71.39928	15.9
73.43656	13.7
76.21201	14.0
78.95906	60.7
83.30070	15.5
114.18894	17.9
136.49266	14.8
152.99562	48.4
211.13367	43.9
252.55106	15.4
253.21620	24.8
254.22011	21.6
255.23329	27.6
277.21683	100.0
278.22025	43.7
279.23355	32.5
411.82010	18.7
505.26126	17.5
506.18295	17.7
506.25873	53.9
507.26221	77.4
573.65912	16.4
743.48358	36.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	744.4024
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	100.0
62.98536	0.3
78.95918	0.3
86.39219	0.2
91.38584	0.2
98.19918	0.4
103.05146	0.2
107.72421	0.2
116.56386	0.2
152.99713	0.3
193.18523	0.2
255.23421	0.3
279.23337	0.5
289.62222	0.2
371.18216	0.2
618.76001	0.2
663.32440	0.2
674.55719	0.2
719.99792	0.2
759.03705	0.2
776.93085	0.2
777.96075	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.2717
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59365	1.0
57.03429	1.0
59.01377	16.0
61.98831	15.6
69.03453	2.4
71.01382	15.2
71.55660	1.4
72.99303	3.4
73.02948	2.9
83.01379	2.1
85.02969	2.3
87.00875	5.0
89.02441	10.1
91.34859	1.1
93.03468	7.6
95.01393	2.4
96.96001	3.0
97.02982	1.7
99.00876	1.5
101.02434	4.8
101.90150	1.1
102.92584	1.2
105.01962	1.9
108.02181	1.4
109.02940	3.6
111.00891	3.6
111.54568	1.2
113.02450	3.5
119.03484	4.1
119.05028	3.9
120.01241	1.7
121.02966	14.6
122.03741	16.9
123.00868	2.1
124.01658	1.2
125.02473	1.6
129.64540	1.2
133.02953	2.2
134.03778	1.2
135.02898	1.3
135.04524	8.5
135.08162	1.3
136.01666	18.5
136.05257	1.4
137.02393	4.9
139.00369	3.2
139.04037	1.7
145.06613	1.6
147.04507	7.5
149.02446	30.1
149.04364	1.1
150.03229	96.9
151.00348	4.7
151.04027	24.2
152.01147	1.3
152.04408	1.5
160.05251	1.5
163.04001	6.2
164.04791	9.5
165.05573	100.0
166.02751	14.7
166.05891	4.3
167.03465	4.8
172.05267	1.5
173.05817	1.1
175.02554	1.7
175.03993	5.2
176.16624	1.2
177.01859	1.4
177.05545	1.8
180.04207	5.9
181.05074	18.2
189.05568	3.6
190.06393	6.0
191.07047	1.3
192.04375	1.6
195.06616	63.1
196.06900	4.0
205.05029	1.3
205.08659	1.7
208.08890	2.4
211.02548	2.6
220.46913	1.2
223.11261	5.4
235.06125	2.8
246.40117	1.0
267.10312	3.2
282.05328	1.8
295.09479	1.6
297.07507	1.4
300.06555	1.3
300.82712	1.1
311.09158	6.7
312.09540	1.2
315.13846	1.7
329.10275	3.6
343.16934	6.2
355.11884	1.4
356.12851	2.2
357.09656	4.6
357.13434	9.0
359.12851	1.2
369.13364	5.2
372.11951	3.8
373.12750	3.3
386.13837	2.3
387.14481	50.4
388.14874	7.3
457.13010	1.7
475.13800	6.1
476.14301	1.9
490.17151	1.5
505.18716	3.0
517.18677	1.5
535.19763	66.6
536.20013	10.7
553.20569	1.6
565.20587	2.0
583.21832	35.6
584.22284	8.7
701.27228	1.6
701.38501	1.8
745.38580	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	741.4431
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59087	1.6
54.37376	1.5
59.01367	6.0
59.85597	1.3
61.98824	11.5
70.22057	6.5
71.01375	6.2
73.02946	1.7
78.95905	3.7
83.05038	3.3
85.02970	1.9
87.00848	1.9
87.35067	1.5
89.02430	2.4
99.00867	2.1
101.02462	4.5
118.39083	1.5
119.03564	1.7
125.09750	2.1
127.11294	2.8
161.04617	2.9
162.65309	1.5
163.11310	3.2
165.12837	2.0
181.12267	2.3
185.53679	1.5
190.14572	1.5
201.11310	43.9
209.11819	98.1
210.12157	5.6
225.11342	2.1
227.12788	10.7
230.18210	1.7
235.08180	6.5
253.09177	16.1
254.09579	1.5
277.21701	100.0
278.22067	11.3
311.59729	1.6
445.21149	2.0
498.43091	1.7
505.25732	3.5
513.30432	2.0
547.91302	1.8
612.04669	1.6
655.74170	1.7
741.43488	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	741.4711
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	49.7
66.89564	5.7
71.54181	9.6
73.28893	5.0
78.95911	41.2
110.20288	4.5
146.96603	6.4
152.99596	45.9
174.35632	6.7
231.55859	6.7
238.51088	6.6
241.77568	5.7
253.21663	28.9
263.88455	6.4
277.21683	79.1
277.24402	7.8
278.22144	8.7
279.23303	7.7
280.23569	9.4
505.25735	100.0
506.26407	11.1
699.45764	6.7
739.52814	6.4
741.47498	20.6
742.46826	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	741.3456
Annotation	Unknow
Peak:m/z	Relative Intensity
55.34469	2.5
59.01382	24.4
61.98826	34.0
62.86544	2.5
69.30122	2.6
69.65372	2.4
71.01378	11.4
71.49175	2.5
71.55792	3.0
72.99310	8.6
73.02932	5.8
73.93091	2.4
75.00867	3.1
78.24379	2.7
83.01395	2.5
83.04067	2.4
85.02946	5.1
87.00886	7.2
89.02434	6.4
96.96014	5.3
99.00871	5.3
101.02442	8.7
105.01934	4.3
111.00871	5.7
113.02429	5.0
115.00346	7.8
131.03520	2.7
143.56061	2.5
147.04552	6.2
157.01431	4.8
163.11232	2.6
175.02425	8.4
189.09177	3.3
193.03128	2.9
209.11833	100.0
210.12083	7.0
227.12877	19.4
228.13347	3.7
229.03773	3.1
235.08333	3.0
253.09291	5.3
255.03171	3.2
269.98813	2.5
283.02454	2.7
285.03781	3.9
295.09753	20.0
296.09808	4.2
299.01920	4.8
445.20544	7.0
595.15851	2.7
697.38904	4.2
741.20526	4.3
741.34601	25.3
742.33441	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	741.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
55.22413	1.6
55.35984	1.6
57.03419	1.9
58.36847	1.5
59.01377	33.7
61.89273	1.8
61.98830	19.7
62.88618	1.8
63.02387	8.2
64.38866	1.8
65.00316	8.4
68.99814	2.7
69.03454	4.2
69.11198	2.0
71.01385	20.8
71.55772	2.7
72.99310	9.2
73.02942	5.2
75.00877	9.4
81.62606	1.8
83.01388	14.5
85.02951	4.5
87.00872	11.8
89.02425	7.3
93.03439	2.0
95.01369	4.6
96.96011	2.3
97.02940	3.5
99.00894	5.8
101.02427	6.1
105.01910	2.8
107.01400	25.7
109.02981	2.4
111.00868	4.9
113.02473	4.2
115.00375	4.5
116.92854	2.9
117.01942	2.3
119.03466	2.7
119.05045	3.5
121.02887	2.1
125.02428	4.6
126.68449	1.8
127.00348	4.5
134.03728	2.9
135.00887	2.3
135.03004	4.5
139.00282	4.1
147.04539	6.4
150.99185	3.4
151.00369	57.0
152.00679	3.6
157.01398	7.0
159.02995	2.2
163.00343	5.1
169.01410	3.7
175.02484	7.6
178.99879	3.3
192.00687	1.9
195.08206	3.3
227.03481	2.5
240.04202	4.8
249.09177	2.6
251.10989	2.1
255.02975	5.9
256.03766	2.8
268.03809	3.3
271.02405	7.1
283.02493	9.6
284.03180	14.4
285.03796	7.3
289.12057	2.4
295.09689	6.5
297.04065	16.0
298.04233	2.4
299.01901	6.6
300.02634	5.0
301.03711	4.1
311.09207	4.2
312.09341	2.0
331.09308	1.9
333.11166	4.6
344.06796	2.1
357.07797	3.1
357.26154	3.2
359.09308	7.5
360.10117	2.5
361.10696	10.0
373.07169	2.4
375.27524	3.9
387.08737	49.4
387.13129	2.0
388.09412	20.0
389.10254	60.6
390.10501	5.9
399.10852	1.9
403.08170	24.4
404.08691	8.7
405.09961	3.8
415.03217	3.3
415.08243	39.2
416.08545	3.5
431.07593	4.1
432.08554	2.1
433.09283	46.4
434.09583	7.4
477.19177	3.8
489.19174	3.3
535.16064	6.9
537.32788	15.1
538.32355	2.1
551.15869	3.1
561.14093	24.9
562.14355	4.3
577.13324	8.7
578.13745	3.9
578.31732	2.1
579.15045	100.0
579.33636	10.1
580.15430	17.4
593.14874	2.9
595.14716	19.2
596.14581	3.3
655.35138	2.3
697.21393	6.3
697.37415	12.6
698.21149	2.8
741.20319	78.7
741.33490	4.2
742.20612	20.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.2038
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01159	1.2
59.01382	13.4
61.98833	7.4
63.02396	2.8
65.00327	2.7
69.03441	2.1
69.84625	7.7
71.01384	7.8
72.99296	2.6
73.02944	3.4
75.00872	2.1
83.01382	3.9
85.02930	2.3
87.00858	4.1
88.98801	2.0
89.02438	3.3
99.00912	1.5
101.02448	4.5
105.01879	1.8
107.01377	5.2
113.02425	4.1
115.00331	2.1
117.01930	1.7
127.00339	3.2
135.00880	1.4
135.03012	1.7
147.04514	2.6
151.00368	14.2
157.01358	3.0
163.00307	3.4
164.01125	1.5
169.01289	1.5
175.02460	3.4
178.99800	3.9
223.11220	1.5
227.03394	6.2
250.56555	1.4
255.02975	9.9
256.03427	1.6
262.83890	1.5
269.04434	1.6
271.02493	6.2
283.02368	6.6
284.03183	5.4
285.03860	3.9
295.09656	3.2
297.03937	7.7
299.01984	12.8
300.02542	3.8
301.03400	9.2
311.09052	4.2
315.10114	1.4
331.09799	13.4
344.06848	2.9
345.07495	2.8
357.07755	7.4
359.09250	8.2
360.09781	2.3
361.10614	1.9
373.07117	2.9
385.07098	1.8
387.08640	7.2
388.09479	28.9
389.10257	13.1
414.07178	3.2
415.08221	29.8
416.08490	3.8
432.08401	9.7
433.09125	9.8
434.09451	1.7
446.08368	2.9
447.09140	4.3
530.33661	1.6
537.32550	5.5
593.15131	17.3
594.15613	2.5
595.14990	3.4
697.21149	5.4
697.35901	6.5
723.19281	32.3
724.19934	6.7
741.20258	100.0
742.20740	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	741.1884
Annotation	Unknow
Peak:m/z	Relative Intensity
58.01900	0.4
59.01382	1.5
61.98832	4.4
65.85464	0.5
69.31113	3.0
69.31523	1.0
83.01394	0.6
89.02475	0.7
101.02478	0.7
107.01408	0.9
109.02962	0.6
115.02103	0.5
133.03021	0.5
151.00394	3.4
165.05597	0.8
171.04527	0.5
175.04053	0.8
178.99919	1.2
187.03978	0.7
193.05196	0.5
195.25497	0.5
199.04001	3.1
201.01982	0.9
215.03529	1.1
226.02698	0.6
227.03487	3.1
243.03003	3.4
255.02998	3.8
256.03452	1.7
257.03506	0.8
271.02469	50.3
272.02786	3.9
283.02454	3.1
284.02994	3.6
285.03464	2.5
286.04239	0.7
299.01962	100.0
300.02533	16.3
301.03455	7.2
307.13956	0.5
446.08600	1.8
447.09085	0.7
462.08029	20.9
463.08527	4.4
579.13446	9.0
580.13611	1.8
593.15436	0.9
594.15540	0.7
595.04620	0.5
595.14856	3.8
596.14917	0.6
652.42230	0.4
741.18811	56.8
742.19269	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	741.188
Annotation	Quercetin 3-glucosyl-(1->4)-xylosyl-(1->4)-rhamnoside
Peak:m/z	Relative Intensity
59.01352	0.6
61.93986	0.5
63.02415	0.8
65.00333	1.0
65.12450	0.6
69.43834	4.1
71.01419	0.5
71.85310	0.5
78.81372	0.5
97.10024	0.5
102.98893	0.5
107.01405	1.4
109.02968	0.6
133.03014	0.5
151.00374	5.1
152.00740	0.8
175.04100	0.6
178.99870	1.0
187.03979	0.6
199.04031	2.9
201.01860	0.8
203.03496	0.7
215.03503	1.4
223.58957	0.6
227.03430	3.8
228.03876	0.9
232.34657	0.5
242.90395	0.5
243.02917	2.9
244.59467	0.5
255.02995	4.9
256.03275	2.9
257.03506	1.2
271.02457	54.4
272.02823	4.6
272.05438	0.6
283.02548	3.8
284.02972	5.1
285.03543	4.2
286.04117	2.1
287.04495	0.5
299.01953	100.0
300.02539	20.3
301.03464	7.0
302.03778	0.7
431.09662	0.9
432.09265	1.0
446.08502	29.1
447.09042	6.6
476.57364	0.6
562.18530	0.5
593.14740	0.7
594.15509	1.9
595.13416	18.4
596.13715	2.5
610.44714	0.6
699.08405	0.6
741.18829	49.8
742.19177	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	741.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01749	0.6
57.03463	0.9
57.51053	0.6
59.01375	6.3
59.03276	0.6
61.98826	6.9
65.00331	1.1
65.36643	0.7
66.95640	0.6
69.03444	1.0
69.19553	6.2
72.99306	2.7
73.02942	1.8
75.00853	0.9
83.01376	2.0
85.02966	1.9
86.36118	0.5
87.00874	3.7
88.98752	0.7
89.02448	1.4
93.03432	0.6
96.96014	1.6
99.00883	1.0
99.28957	0.7
101.02456	1.4
107.01384	2.3
111.00901	0.7
113.02441	2.6
115.00379	2.6
119.05001	0.7
121.02910	0.5
125.02457	1.1
125.06101	0.6
127.00382	1.4
129.01904	0.6
132.02196	1.0
135.00870	1.0
136.43671	0.5
139.00368	2.4
143.04922	0.7
147.04523	3.7
151.00403	3.0
157.01414	2.2
159.04454	0.7
163.00328	1.0
163.04077	0.9
175.02477	6.7
187.03987	0.6
201.05510	0.7
211.02386	1.0
211.04095	1.5
213.05588	0.7
227.03494	32.2
228.03824	2.9
229.05060	2.2
233.09804	1.0
239.03528	1.3
241.05051	0.8
245.58380	0.6
251.10806	0.7
255.02980	66.2
256.03473	8.2
257.04675	2.9
269.04282	0.7
271.02481	0.6
283.02563	2.9
284.03250	100.0
285.03925	30.1
286.04321	2.6
295.09753	9.9
296.10147	1.0
299.02039	1.2
311.09097	1.1
389.10199	0.9
433.09460	0.7
593.15088	94.7
594.15399	15.3
595.14948	1.7
697.37781	0.8
741.20081	4.7
741.33350	1.1
742.20990	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.1462
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76517	0.3
59.01373	1.2
61.98825	3.8
70.66990	0.6
70.67360	0.7
77.03967	2.4
78.95899	0.5
83.04990	0.4
89.02464	0.3
93.03474	0.6
121.02956	100.0
122.03300	3.8
137.02429	0.6
141.01788	0.7
152.99597	0.4
165.01929	72.9
166.02283	3.4
179.60886	0.4
180.05844	0.5
181.06546	2.8
183.13991	0.3
191.03542	1.9
209.11848	3.2
210.12207	1.3
213.15009	0.4
223.13480	0.4
225.05556	1.4
227.12785	0.5
277.21774	0.9
293.21146	1.4
294.21494	1.0
309.20596	0.4
313.07144	2.4
314.07550	0.4
357.06171	10.5
358.06363	1.1
452.68448	0.4
453.43158	0.4
505.25787	1.1
549.10193	0.6
642.77722	0.4
741.14600	6.2
741.44440	0.4
742.14886	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.4275
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79194	1.6
52.74139	1.8
58.65871	1.6
59.01383	11.7
61.98825	4.3
62.33391	2.0
67.67219	1.6
70.66311	5.2
71.01366	9.4
71.05004	2.7
72.66290	1.9
73.02937	2.1
78.95889	6.4
82.32073	1.9
83.04985	2.5
89.02440	4.4
96.96012	40.0
96.96965	3.8
97.02943	2.3
99.00890	13.3
101.02453	4.0
109.06572	2.8
113.02438	2.1
125.09689	6.3
136.05217	1.7
141.36311	1.6
142.02774	1.7
163.11252	8.2
171.10266	22.8
172.10649	1.7
181.12337	16.7
189.09149	2.2
197.11780	3.2
199.13405	25.6
207.10274	33.3
211.13332	2.8
225.11330	69.4
226.11578	4.3
235.08160	2.2
243.12338	16.6
253.09241	7.4
277.21738	72.0
278.22012	7.3
279.23248	7.3
280.23691	4.0
283.02432	2.5
443.19083	3.3
461.20352	14.2
479.21310	2.7
696.70361	1.8
721.41681	4.8
731.56952	1.9
739.42645	100.0
740.42975	24.2
744.33331	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	740.3707
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12276	0.2
56.27723	0.3
56.39482	0.2
58.64762	0.2
59.01391	0.4
61.98831	100.0
71.54832	0.4
152.99564	0.2
164.09543	0.3
170.56833	0.3
199.94791	0.2
209.11845	0.9
211.13406	0.6
277.21814	0.7
280.23901	0.3
285.03946	0.5
288.66815	0.3
293.21411	0.6
505.25381	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.371
Annotation	Unknow
Peak:m/z	Relative Intensity
55.47601	0.1
59.01376	0.2
61.98829	100.0
62.98529	0.3
71.01402	0.1
78.92342	0.1
80.16730	0.1
125.02493	0.1
183.14011	0.1
211.13452	0.4
212.13803	0.2
244.13567	0.1
255.03149	0.1
264.78162	0.1
277.21848	0.1
279.23334	0.2
280.23605	0.2
291.19867	0.1
310.20978	0.1
334.29678	0.1
379.13437	0.1
398.14053	0.1
399.14087	0.1
505.25900	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	740.4929
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.4
61.98830	100.0
62.98522	0.2
70.99651	0.1
71.01400	0.1
72.99298	0.1
73.02943	0.1
89.02445	0.1
98.20638	0.2
101.02470	0.1
105.01946	0.1
113.02437	0.1
147.92181	0.1
157.01590	0.1
159.41295	0.1
175.02495	0.1
255.03056	0.1
277.01218	0.1
284.03241	0.1
285.04068	0.1
311.09143	0.1
391.00751	0.1
594.16211	0.1
621.99011	0.1
678.50958	0.1
679.50934	0.2
680.50830	0.6
740.49292	1.0
741.50079	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.2091
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02404	0.8
69.65588	3.1
87.80277	0.5
107.01408	1.7
115.09655	0.7
117.03423	0.7
127.11332	0.6
133.25209	0.6
151.00388	3.4
155.57802	0.6
159.04437	0.8
178.99861	1.6
183.04469	3.7
187.04007	0.7
193.05141	0.7
211.04025	2.4
213.05576	0.6
227.03496	14.3
228.03874	1.3
229.05075	1.3
255.02974	61.1
256.03406	6.8
257.04428	1.0
283.02475	100.0
284.03210	60.0
285.03964	21.2
286.04373	2.0
289.07138	0.9
313.70563	0.6
316.90747	0.6
429.08463	1.1
430.09055	15.5
431.09598	3.6
526.12115	0.7
593.15088	89.9
594.15356	14.3
739.20880	23.2
740.21295	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	739.4283
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87154	0.6
54.49348	0.7
55.01860	0.7
56.81878	0.6
57.03442	0.9
59.01382	8.1
61.13798	0.6
61.98811	2.0
67.70541	0.6
69.03438	0.7
69.99489	0.6
71.01379	6.6
71.05007	1.9
72.99304	0.7
73.02946	0.8
83.04994	0.8
85.02935	1.2
87.00877	1.4
89.02446	4.1
97.02950	4.0
97.06565	1.6
97.81096	0.6
99.00267	1.1
99.00880	16.9
101.02441	3.9
105.92439	0.6
109.06573	1.2
113.02428	2.6
117.75607	0.6
119.03537	0.9
120.07922	0.7
123.08160	1.9
124.65784	0.6
125.02419	1.4
125.09721	6.5
127.36874	0.6
142.02689	0.8
153.12851	1.0
157.11125	0.6
161.04593	0.8
163.11279	9.6
164.11559	1.0
166.49385	0.8
171.10269	6.1
179.05490	0.7
181.12334	19.5
182.12703	0.7
197.11815	1.1
199.13371	12.4
200.13663	0.8
201.11340	1.2
207.10257	28.6
208.10617	1.6
225.11308	47.2
226.11604	3.0
227.12894	0.9
235.08154	1.9
243.12352	24.7
244.12642	1.0
253.09213	2.0
277.21692	24.6
278.21991	2.8
279.23169	2.5
280.23587	1.2
281.24854	3.9
283.02487	1.1
285.03998	1.1
397.13565	6.2
415.14508	1.7
461.20352	4.8
479.21381	11.4
480.21539	1.1
721.41815	1.1
739.42633	100.0
740.42993	23.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.4277
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	0.7
57.03451	1.6
59.01375	5.3
61.98812	1.5
71.01378	6.6
71.05013	2.5
71.54738	0.8
73.02971	1.3
78.95910	9.3
79.95750	3.7
83.05006	0.7
85.02956	2.2
89.02438	1.7
89.81657	0.8
92.35889	0.7
94.98114	1.4
95.05074	1.0
96.96011	100.0
96.96907	7.3
97.02942	3.1
97.06590	2.5
99.00880	13.5
100.61639	0.7
101.02445	3.2
109.06610	1.3
113.02487	2.9
123.08176	2.1
125.02413	0.8
125.09721	8.1
163.11304	10.4
168.21098	0.7
171.10272	7.0
181.12340	17.0
181.13901	0.9
182.12639	0.8
199.13359	5.8
207.08336	1.5
207.10245	17.3
208.10524	0.9
225.11301	26.2
226.11674	1.8
235.08224	1.0
243.12288	8.8
253.09265	3.2
277.21729	34.3
278.22125	4.9
279.23245	1.2
280.23511	1.2
281.24799	2.6
293.21323	0.9
365.93533	0.7
397.13477	2.7
415.14441	1.4
461.20282	3.5
479.21408	5.0
641.22107	0.9
739.20923	2.1
739.42676	82.6
740.43018	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	739.4277
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	2.6
59.01383	9.2
61.98829	3.5
65.58483	1.7
66.02470	1.5
69.33340	1.7
71.01376	7.9
71.04997	3.1
71.50502	2.7
78.95899	3.1
85.02902	2.3
89.02446	4.1
94.25275	1.8
97.02934	2.9
97.06564	2.7
99.00871	11.5
101.02435	5.8
101.47594	1.8
103.18062	1.7
113.02451	3.6
125.09708	6.5
134.25699	1.8
142.13599	1.6
152.99579	3.0
163.11302	8.7
171.10277	14.8
181.12354	13.5
199.13393	18.1
201.11282	2.0
207.10245	31.3
213.73312	2.0
225.11317	49.2
226.11603	3.0
235.08296	3.5
243.12297	6.2
253.09128	3.0
277.21729	89.6
277.24786	4.2
278.22098	9.4
279.23282	10.0
280.23538	4.5
285.03745	2.8
390.91080	2.0
461.20135	6.7
479.21078	2.8
593.14673	2.4
721.41241	7.6
722.41724	2.8
739.42560	100.0
740.43011	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	739.2089
Annotation	Unknow
Peak:m/z	Relative Intensity
57.05973	0.5
62.51572	0.5
66.85293	0.5
83.01347	0.7
107.01376	1.3
151.00389	3.7
152.14853	0.5
159.04462	0.6
163.00305	1.0
169.06529	1.1
183.04488	1.7
187.03923	0.9
211.03940	1.6
213.05566	0.9
227.03499	12.2
229.05029	2.7
239.03294	0.7
241.05048	0.6
255.02979	47.7
256.03522	5.3
257.04459	1.6
283.02460	55.4
284.03214	50.3
285.03989	31.5
286.04407	2.5
327.05020	1.1
365.69809	0.6
430.09131	5.6
431.09067	1.5
489.14838	0.6
593.15082	100.0
594.15430	16.7
739.20880	20.3
739.31433	0.5
740.20972	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	739.2092
Annotation	Unknow
Peak:m/z	Relative Intensity
59.29913	0.2
63.02397	0.2
69.59074	1.3
69.59476	0.3
83.01408	0.8
89.32320	0.2
91.87910	0.3
93.03477	1.0
107.01398	0.4
109.02936	0.4
117.03476	0.5
123.00922	0.4
130.04228	0.2
135.00909	0.4
137.00992	0.2
137.02493	0.3
143.05017	0.7
145.02992	0.4
151.00386	0.6
153.02025	0.3
154.04216	1.4
155.05025	0.5
157.06593	0.6
158.03705	0.3
159.04533	0.7
161.02519	0.3
163.00369	0.8
165.01964	0.8
167.05028	0.7
169.06581	3.9
170.06955	0.4
171.04550	0.7
172.27599	0.2
173.02440	0.6
173.06039	0.2
183.04573	0.4
185.06071	3.3
187.04015	2.2
187.67160	0.2
189.05565	2.6
195.04465	0.5
197.06131	0.4
198.03302	0.5
199.03946	0.4
211.04030	1.0
212.04785	0.6
213.05551	3.6
214.02692	1.9
215.03464	1.2
217.05125	0.3
226.70512	0.2
227.03510	5.7
228.03876	0.6
229.05070	3.0
239.03436	1.1
240.04089	0.3
241.02657	0.2
241.04874	1.1
243.03001	1.8
255.02988	9.0
256.03583	1.1
257.04529	3.4
258.04803	0.3
267.02902	0.3
283.02454	4.8
284.03259	4.1
285.04047	100.0
286.04401	8.1
363.66403	0.2
430.09109	0.5
431.09830	26.7
432.10159	3.5
584.21405	0.2
593.15100	14.0
594.15552	1.7
733.23206	0.3
739.20862	21.3
740.21136	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	739.2089
Annotation	Unknow
Peak:m/z	Relative Intensity
56.79038	0.6
61.00941	0.7
65.00334	0.8
69.41677	4.6
69.42085	1.4
82.96325	0.6
83.01380	1.0
98.20604	1.3
107.01383	2.1
118.37442	0.7
135.00835	1.4
147.01085	0.7
151.00352	4.8
153.19144	0.7
163.00389	1.1
178.99879	1.7
183.04552	1.5
187.04025	1.0
194.20094	0.7
199.03751	0.8
208.23759	0.7
211.03978	2.1
213.05533	1.0
214.77693	0.7
227.03494	47.1
228.03845	2.8
229.05070	2.3
239.03488	1.4
255.02983	84.6
256.03510	11.0
257.04523	3.9
283.02490	3.9
284.03253	100.0
285.03918	28.1
286.04272	2.2
327.05029	1.6
406.08664	0.8
593.15576	3.3
739.20923	69.0
740.21185	16.3
766.23279	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.2092
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02401	0.7
65.00330	0.9
69.71289	2.4
83.01376	0.9
93.03471	0.6
107.01387	1.5
117.03450	1.2
139.82817	0.4
151.00362	3.8
155.05043	0.9
159.04538	1.0
163.00357	0.9
171.04500	0.5
178.99857	1.1
182.03732	0.6
183.04526	3.4
185.06039	1.0
187.04086	0.9
189.05449	0.5
199.04073	0.6
200.04646	0.5
211.04015	3.4
213.05490	0.9
227.03481	16.7
228.03848	1.3
229.05008	1.3
239.03487	0.6
255.02974	69.9
256.03397	7.5
257.04593	2.6
283.02475	100.0
284.03186	58.6
285.03992	33.7
286.04401	3.0
300.99081	0.5
346.57407	0.4
356.72595	0.4
429.08243	1.1
430.09018	19.4
431.09647	5.4
593.15082	95.3
594.15393	17.5
602.30005	0.4
739.20917	24.4
740.21216	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	737.609
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.0
60.56018	0.8
61.98819	3.7
64.76701	0.7
71.54895	1.1
78.95910	5.6
109.37112	0.8
135.43570	0.8
152.99602	2.1
195.13908	1.2
196.14236	1.2
277.21710	39.7
278.22113	5.0
279.23291	15.9
287.96088	0.8
459.38431	100.0
460.38699	19.1
575.24072	0.8
653.29407	1.3
691.39374	0.9
701.34644	1.0
737.46259	1.2
738.50580	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	738.3557
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08556	0.0
58.21696	0.1
59.01378	0.2
61.91860	0.0
61.98830	100.0
62.98531	0.2
69.05725	0.1
71.01402	0.1
89.02450	0.1
94.66024	0.1
101.02470	0.1
101.09417	0.1
113.95042	0.1
123.48116	0.1
136.08934	0.1
152.99789	0.1
253.46288	0.1
278.21988	0.1
279.23276	0.2
397.13660	0.1
399.14227	0.2
400.14502	0.1
417.15366	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.3552
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.3
61.98829	100.0
62.98535	0.2
69.05659	0.1
72.43640	0.1
79.28833	0.1
108.67545	0.1
144.50475	0.1
145.32028	0.1
158.44502	0.1
199.02638	0.1
201.79277	0.1
209.11880	0.3
240.24315	0.1
266.28256	0.1
277.21744	0.1
278.22256	0.1
279.23312	0.4
293.21313	0.2
399.13971	0.1
400.14270	0.1
738.51062	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	738.5076
Annotation	PE(18:2(6Z,9Z)/18:2(6Z,9Z))
Peak:m/z	Relative Intensity
59.01398	1.8
59.51841	0.3
60.53691	0.3
61.98829	0.9
62.94053	0.4
69.64202	2.0
78.95902	17.7
96.96992	1.7
98.20619	0.6
116.97307	0.4
141.01663	1.3
152.99590	14.8
171.00645	0.4
261.22232	0.6
277.21725	4.9
278.21893	0.8
279.23264	100.0
280.23611	9.6
281.24738	2.4
284.03583	0.4
402.23911	0.5
409.98749	0.5
458.26678	2.1
476.27841	1.4
593.15540	0.5
738.50702	31.6
739.51117	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	737.4117
Annotation	Unknow
Peak:m/z	Relative Intensity
56.28864	1.4
59.01376	6.6
61.98813	6.2
63.56466	1.5
63.83992	1.3
69.03449	4.8
71.01373	5.8
71.11652	1.6
71.11973	1.7
78.95889	2.2
87.00885	1.7
89.02460	2.6
101.02460	3.6
113.02418	2.0
120.25966	1.5
123.08188	2.6
125.09705	1.6
140.36600	1.4
146.96526	1.9
151.11276	1.8
153.12813	2.1
161.09718	2.9
179.10747	5.5
197.11827	89.8
198.12144	5.9
205.08653	1.6
207.86952	1.7
223.09752	2.5
241.10826	5.2
253.09200	3.9
277.21722	33.9
278.22006	2.5
279.23199	4.6
377.29993	1.4
459.18750	1.5
477.19574	3.0
651.84131	1.5
737.41119	100.0
738.41241	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	737.4251
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98342	9.0
61.98829	48.7
70.55639	34.4
78.95881	59.0
95.88255	8.8
127.70419	10.4
149.74704	9.3
152.99577	21.4
186.71573	10.1
209.11803	64.5
227.12888	13.5
235.08072	11.7
255.23347	100.0
277.21826	22.7
279.23288	85.4
339.37613	8.9
352.77234	10.0
455.17218	11.9
568.76685	10.1
653.30164	18.7
737.41034	19.9
738.50555	36.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.5183
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	15.2
61.98856	0.3
68.68220	0.2
69.03447	0.6
72.99323	0.4
81.03458	5.7
83.05026	14.1
84.05404	0.4
85.02955	0.3
101.02448	0.3
105.01951	3.0
106.97752	0.2
107.06145	0.4
108.04542	0.4
114.24354	0.3
115.39526	0.2
119.04972	0.4
125.07234	0.9
163.03986	0.4
177.05238	0.3
207.14978	1.2
224.17688	1.4
225.16074	12.0
226.16420	1.0
242.18898	0.8
309.21835	0.6
311.09213	1.1
324.26248	0.3
333.22815	0.6
341.29199	0.7
367.27118	1.5
377.41315	0.3
399.11096	0.5
433.31662	1.0
450.34381	1.0
451.32895	7.6
452.33115	1.0
531.31476	0.3
550.43347	1.0
552.32086	0.3
593.43896	0.5
659.48560	1.8
677.49689	100.0
678.50000	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	737.375
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14140	0.6
55.01873	1.9
57.03448	2.3
59.01379	35.7
61.98831	23.5
66.91167	0.7
69.03470	1.0
71.01381	17.6
71.54704	0.7
72.99319	3.3
73.02949	5.5
83.01385	2.9
85.02957	8.4
87.00873	1.6
87.51855	0.6
88.98808	1.0
89.02464	3.7
91.99561	0.6
95.01379	2.1
96.96020	2.8
97.02905	0.8
99.00872	2.1
101.02441	8.9
107.05030	3.0
109.06590	24.7
110.06947	1.0
111.00871	1.1
113.02440	8.2
116.92865	0.8
119.03442	1.0
127.00339	0.7
147.04495	1.0
161.04581	1.4
173.99260	0.7
175.66542	0.8
277.21854	0.8
279.23163	1.5
295.09778	1.5
338.12332	0.7
355.30133	1.0
427.32141	1.8
428.32364	0.8
490.88766	0.7
589.37378	4.8
590.38348	1.0
607.38519	7.4
608.38269	1.5
649.39594	8.7
650.39844	1.2
651.37823	1.2
693.38501	100.0
694.38806	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	737.4117
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01361	6.5
61.98825	8.3
63.93314	1.9
64.55126	1.7
69.03431	4.3
70.40765	5.1
71.01363	5.4
71.05016	2.6
78.95903	4.1
83.01373	1.7
85.02948	2.3
89.02409	2.1
94.83086	1.4
95.53526	1.5
98.07502	1.4
101.02425	4.1
128.21405	1.7
135.91524	1.4
146.96539	1.8
151.11192	1.7
152.99533	2.1
161.09645	3.2
161.49562	1.7
179.10753	7.8
189.33153	2.0
197.11813	44.9
198.12088	2.7
199.02649	1.5
235.07982	1.7
241.10625	2.9
245.17708	1.5
253.09196	2.9
261.21738	1.5
277.21707	62.1
278.22000	5.3
279.23337	11.8
280.23550	3.1
291.49069	1.7
393.62857	1.5
459.18362	1.7
669.12390	1.7
737.41010	100.0
738.40778	26.0
738.51270	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	735.308
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.8
57.03444	2.6
58.00581	1.4
59.01377	100.0
60.01718	1.2
61.98827	22.1
68.99816	1.5
69.03445	2.9
71.01382	35.5
71.55912	0.9
72.99306	6.7
73.02949	7.1
75.00863	5.1
81.03453	0.9
83.01373	7.9
85.02953	16.3
86.00084	2.0
87.00868	14.3
88.98798	1.9
89.02444	8.2
94.49808	0.9
95.01395	4.7
96.95998	4.3
96.99314	1.8
97.02943	3.9
99.00906	5.5
101.02436	18.3
105.01939	2.4
110.77645	0.9
111.00886	4.5
112.01702	2.2
113.02451	17.4
114.02779	1.2
115.00326	1.2
115.05556	1.2
117.01945	1.9
119.03504	3.0
119.04985	1.9
123.60090	0.9
124.01679	4.6
125.02448	11.7
127.00348	3.2
129.01982	1.7
135.02998	20.1
136.03296	2.8
137.02391	1.1
137.03401	1.7
139.00325	1.0
141.01952	2.0
143.03461	6.6
147.04553	4.7
153.01941	1.1
157.01379	1.1
159.02977	1.7
161.04518	3.1
179.05521	1.5
195.07930	1.3
199.02306	1.0
205.10158	1.8
211.02357	1.4
229.03343	1.4
233.09677	3.1
251.10771	1.4
275.03946	1.6
277.08905	1.4
277.12326	1.0
295.09708	13.7
296.10028	2.9
297.10263	2.7
311.09280	1.6
383.24271	2.2
401.25256	4.5
403.76587	1.0
413.12564	1.4
459.16367	4.2
491.26620	2.2
492.26907	1.1
509.27368	1.6
527.28534	20.5
528.29095	2.9
545.29620	70.6
546.30157	10.9
547.17932	2.9
563.30707	24.3
564.31219	3.3
573.29492	1.5
587.30756	7.2
588.31421	1.9
605.31799	17.4
606.32062	3.0
735.34680	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.433
Annotation	Nonactin
Peak:m/z	Relative Intensity
59.01376	9.5
60.33358	2.2
61.98826	12.6
71.01379	5.9
74.57117	2.7
78.95905	5.9
89.02486	3.5
101.02413	3.8
113.94251	2.7
156.38295	2.8
177.12807	10.7
195.13898	100.0
196.14308	5.7
207.07922	2.9
208.90074	3.0
210.68698	2.5
221.11784	3.7
224.07352	3.6
229.17458	2.8
235.08109	3.6
239.12967	7.5
242.22180	2.6
253.09229	3.0
277.21725	45.0
278.22098	5.3
279.23221	4.9
457.36890	5.7
475.21744	6.5
735.43225	79.2
736.42920	21.4
752.82654	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	736.3398
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.0
61.98832	100.0
62.98541	0.2
71.01408	0.5
71.55029	0.1
71.55499	0.1
72.99319	0.3
75.00903	0.1
83.01429	0.1
85.02940	0.1
87.00892	0.4
88.98795	0.1
89.02468	0.1
93.13541	0.1
96.96033	0.3
97.02956	0.1
99.00896	0.1
101.02432	0.2
113.02444	0.2
116.92838	0.2
125.02393	0.2
127.00458	0.1
135.03088	0.3
179.75923	0.1
191.57141	0.1
224.92763	0.1
295.09872	0.2
311.09485	0.1
343.20856	0.1
692.36719	0.1
693.38287	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.1937
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	4.3
59.01390	2.5
66.15778	0.5
66.78975	0.5
67.01878	1.1
69.03457	100.0
69.18425	5.7
70.03781	2.3
71.01390	3.6
72.99302	3.0
79.01879	4.2
85.02950	2.0
87.00843	0.9
89.02410	1.2
95.01385	2.5
96.96008	2.1
97.02953	20.4
99.00882	28.3
101.02437	0.9
105.01940	0.8
111.00835	0.6
113.02447	1.3
113.59105	0.5
116.93035	0.5
123.00880	1.6
134.03751	4.0
137.02428	1.5
138.05598	2.2
141.01936	10.5
149.02434	0.6
149.06079	1.7
151.04028	0.8
162.03206	1.1
178.02698	2.6
185.00911	95.6
186.01353	3.9
193.05055	8.4
194.05403	0.8
195.06610	0.8
199.71742	0.6
237.00909	0.5
283.02435	0.9
285.03888	0.9
305.11475	1.2
311.09302	0.5
353.10397	1.2
355.08337	0.6
431.09570	1.2
542.17352	0.5
551.17792	3.3
737.18945	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	737.1937
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	5.0
67.01907	0.9
69.03458	100.0
70.03787	1.6
71.01377	1.2
72.99322	2.3
79.01885	7.6
85.02962	2.1
93.19466	0.6
95.01405	3.5
97.02952	19.2
99.00887	28.6
105.37978	0.6
109.02960	1.2
121.02969	1.2
123.00912	1.1
134.03728	6.8
135.04549	0.7
137.02460	2.0
141.01939	10.0
149.02441	1.8
149.06091	3.0
150.03241	4.1
151.04021	1.3
156.07587	0.6
164.38921	0.6
165.05556	7.0
178.02692	4.6
178.78941	0.5
179.03149	0.6
180.04332	0.7
185.00919	88.7
186.01294	3.5
193.05070	16.8
194.05389	1.5
195.06642	3.8
200.29689	0.5
245.08231	0.7
252.28796	0.5
259.17468	0.6
289.07138	4.1
290.07330	0.7
341.10330	1.3
344.38437	0.7
389.12405	11.4
390.12756	1.8
394.08383	0.6
465.15811	0.6
551.17627	13.7
552.18225	2.5
592.85681	0.6
737.19409	4.4
738.19495	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.576
Annotation	Unknow
Peak:m/z	Relative Intensity
60.25322	3.1
61.98831	4.4
71.54497	4.0
71.54865	3.6
80.60891	3.6
82.45082	3.0
115.20502	3.3
123.63948	3.5
143.98738	4.1
193.30035	3.0
219.67375	3.1
277.21747	49.4
278.22012	6.5
393.39893	3.5
455.35266	100.0
456.35681	15.9
459.41635	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	735.3081
Annotation	Unknow
Peak:m/z	Relative Intensity
54.96502	1.2
55.01875	2.4
57.03441	1.6
58.00592	1.3
59.01378	100.0
60.01723	1.3
61.98836	10.7
65.25903	1.6
69.03457	2.3
71.01382	30.5
71.64062	0.9
72.99316	3.7
73.02955	5.8
81.03481	1.1
83.01390	4.4
85.02945	13.6
87.00883	5.1
87.02081	1.0
89.02445	13.6
95.01400	4.1
96.96035	2.2
97.02969	4.9
99.00889	3.5
99.79844	0.9
101.02444	16.0
105.01974	1.0
111.00906	2.8
112.01630	1.3
113.02444	25.2
119.03474	5.7
124.01683	2.8
125.02459	11.1
127.00352	1.2
129.01942	1.1
135.03006	3.2
143.03494	5.3
159.03018	1.4
161.04527	3.5
229.69264	1.0
257.03693	1.0
283.02542	1.1
295.09802	2.9
296.10162	1.7
311.09320	1.1
383.24026	1.7
401.25455	1.3
491.26645	1.8
509.27728	2.2
527.28656	20.2
528.28723	3.2
545.29657	78.3
546.30029	12.8
563.30658	26.1
564.30969	3.9
587.30640	8.7
588.30920	2.3
605.31885	14.1
606.31842	3.2
691.37512	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.237
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	27.6
61.98829	18.4
70.04763	5.8
70.05158	9.2
71.01379	5.4
72.99319	4.7
88.98817	5.6
92.03851	3.4
133.36186	3.5
166.93707	3.3
185.53244	3.3
242.58504	4.2
264.60110	3.2
295.66876	3.5
299.81039	3.5
331.21982	4.2
358.01196	4.0
469.11673	9.2
470.12537	6.8
483.13013	8.1
484.13800	6.5
503.11185	3.8
529.13770	4.0
543.15436	8.7
544.15442	5.0
557.12805	4.4
571.14410	10.3
587.18134	12.4
644.21039	6.9
658.19275	9.3
673.21466	45.2
674.21643	12.4
733.23395	100.0
734.24054	34.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.3809
Annotation	Unknow
Peak:m/z	Relative Intensity
56.57522	1.5
57.31949	1.4
59.01382	15.7
61.98827	15.8
63.27439	1.5
69.95086	8.3
71.01373	4.8
72.99314	2.1
73.02972	3.0
76.22287	1.4
81.55462	1.5
85.02965	2.8
96.95995	2.9
98.19948	2.1
99.78913	1.4
101.02433	1.8
113.02411	2.4
121.07668	1.5
121.08640	1.7
125.02425	1.5
127.94094	1.6
163.62077	1.7
295.09583	1.5
411.32425	2.3
455.31668	16.3
456.32040	3.3
485.32544	2.5
629.36676	11.9
630.37433	5.1
647.38086	13.1
648.38440	2.8
689.39063	100.0
690.39325	23.6
761.55511	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	733.3809
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79315	1.4
57.03424	1.7
59.01380	54.2
61.98833	12.8
64.72739	1.2
70.03282	4.8
71.01381	6.6
72.99297	4.1
73.02940	3.2
83.05029	1.8
85.02942	5.2
87.00883	2.6
88.98806	3.5
89.92520	1.2
92.05068	2.5
94.02964	1.6
95.01351	1.4
101.02431	4.2
104.05045	3.3
105.01917	3.6
113.02447	2.3
113.21845	1.4
116.05042	3.5
125.02448	1.4
130.06589	2.6
132.04602	6.7
132.08163	14.7
145.06554	1.6
146.06102	3.1
147.04524	2.3
148.07690	22.6
163.16429	1.4
164.07164	1.7
175.03986	1.7
175.34586	1.3
176.07188	16.1
182.32466	1.2
190.05063	5.8
191.05820	2.4
192.05043	2.0
192.06662	26.0
194.08208	7.9
195.08183	1.7
203.07080	2.4
217.05026	3.7
220.06139	16.1
238.07227	9.0
259.06104	3.0
315.07263	1.8
350.29990	1.5
409.31482	1.9
455.31671	24.4
456.31860	4.8
473.21231	1.5
485.32422	5.7
569.34204	1.6
629.36865	20.4
630.37347	4.7
647.38165	12.1
648.37775	2.4
674.20996	9.0
689.39044	100.0
690.39313	27.3
734.22705	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	731.225
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	2.6
55.72848	1.4
57.03442	2.6
58.15715	1.3
59.01380	59.8
61.50637	1.5
61.98823	3.1
64.32182	1.5
67.01892	3.2
68.99822	1.6
69.03464	4.4
71.01379	30.2
71.89005	1.5
72.99303	6.8
73.02943	13.5
81.03453	5.4
83.01393	3.6
83.05031	4.6
85.02948	50.4
85.28650	1.5
86.00098	2.9
87.00874	18.5
88.98830	2.3
89.02451	11.0
89.54485	1.5
93.03453	8.6
95.01393	24.7
97.02962	4.3
99.00867	4.1
99.04511	5.9
101.02440	33.0
108.02199	3.0
109.02944	13.8
111.00891	9.9
113.02457	27.9
119.05029	95.5
120.05356	4.7
121.02995	1.6
123.04494	3.7
125.02458	2.7
127.04018	25.9
128.04288	2.1
129.01932	3.2
131.03511	15.1
135.04527	1.8
135.52400	1.5
136.01636	2.8
137.02475	6.6
139.00371	16.6
141.05544	2.1
143.03471	1.9
145.05064	12.1
149.02475	1.8
151.04013	4.1
153.01869	3.0
155.03517	8.3
157.01387	2.3
161.04541	19.4
162.85704	1.6
163.04008	100.0
164.04405	7.6
165.01897	1.6
165.05551	2.3
167.03467	2.0
169.05023	4.1
171.02980	3.0
173.07996	1.8
175.44463	1.5
179.05627	3.7
181.01462	2.1
199.02472	34.5
200.02914	1.9
217.03520	2.0
221.06630	12.8
241.03380	2.2
241.07158	5.3
246.25418	1.5
247.08244	11.8
285.06268	3.7
291.90570	1.5
297.27676	1.4
301.05634	2.2
325.09290	3.4
345.08276	9.6
346.08264	1.5
387.09265	19.1
405.10156	8.1
525.14795	2.9
567.15277	2.5
627.17889	12.9
628.17975	2.0
713.21423	25.5
714.21808	4.3
731.22607	32.1
732.23181	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	731.3125
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	0.9
61.98858	0.3
71.01390	0.9
71.24223	0.3
71.54937	0.3
87.00843	0.4
93.03469	0.7
97.87279	0.3
101.02438	0.3
107.09742	0.2
112.66338	0.2
119.05026	93.6
120.05355	8.6
121.05573	0.9
131.08176	0.2
150.03239	0.3
163.04007	100.0
164.04341	11.3
165.04453	2.2
178.80237	0.2
190.73233	0.3
268.45334	0.3
301.12695	0.3
301.16483	0.4
325.09277	15.4
326.09586	3.1
327.09814	1.3
412.03195	0.3
646.98566	0.3
654.45514	0.3
687.19434	0.3
731.18933	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.4064
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.1
55.77748	0.6
55.97018	0.7
57.03439	1.6
58.39618	0.7
59.01381	44.4
61.98833	10.8
62.48423	0.7
63.50835	0.7
68.99824	1.1
69.03461	1.6
69.99390	2.9
71.01385	12.6
71.46486	0.7
72.99301	2.7
73.02932	3.2
83.01414	3.5
85.02957	8.9
87.00877	4.4
87.04515	1.1
88.98814	2.2
89.02441	2.0
93.03463	3.5
95.01392	2.2
96.96004	2.5
97.02969	1.1
99.00871	2.1
99.04512	0.9
100.63776	0.8
101.02425	4.1
109.02934	1.3
111.00864	2.0
111.04528	1.2
113.02485	3.4
113.06077	2.1
113.14803	0.7
115.00389	1.4
115.07667	4.5
119.05027	3.2
121.02988	1.8
122.03751	2.7
123.04550	2.1
123.08136	3.4
124.01635	0.9
125.02451	2.6
125.06084	0.8
127.00379	2.7
129.01935	1.4
131.05038	0.9
134.03754	0.9
135.04494	0.8
135.08202	1.2
136.05244	0.8
137.02422	1.4
138.03238	0.9
139.00371	2.6
139.07610	1.6
139.89735	0.9
141.01947	1.2
141.05574	2.4
141.09187	3.6
147.04523	2.3
149.06085	1.5
151.07651	15.5
153.09193	4.8
154.61862	0.7
157.01434	2.9
159.06645	1.0
163.03979	2.9
163.07710	1.3
165.01955	0.9
167.10770	2.0
169.01534	0.8
171.10272	1.4
173.06075	2.2
175.02441	1.0
189.09261	2.0
191.07137	2.2
191.10768	2.3
192.07922	1.4
195.08090	6.3
199.02577	1.1
207.08316	0.8
207.10243	20.9
207.12173	1.5
208.10628	1.1
211.02478	2.8
221.09799	5.1
223.11267	8.3
224.11577	0.8
229.03529	1.6
237.09189	1.9
241.18068	3.1
247.13397	4.9
257.17700	0.7
259.19125	20.1
260.19415	1.3
265.14462	12.0
266.14886	1.3
267.10284	1.6
271.19238	1.1
283.15503	100.0
284.15805	7.5
295.09702	2.9
301.20239	0.9
311.09186	1.2
325.16565	1.8
327.17627	1.2
351.49481	0.7
353.99561	0.7
385.14197	1.0
403.23376	28.5
404.23624	3.9
421.24390	32.1
422.24887	3.9
441.13336	1.7
445.24344	3.0
459.14410	13.2
460.14978	3.1
463.25522	12.1
464.25653	2.0
609.40192	1.8
669.38177	5.3
670.37946	0.9
687.39453	9.4
688.40057	2.2
729.40216	3.3
730.40594	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.3869
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50175	0.2
61.49088	0.1
61.98832	100.0
62.98545	0.2
91.58946	0.1
133.65819	0.1
171.10297	0.3
218.23360	0.2
225.92685	0.2
638.38501	0.2
752.67456	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.402
Annotation	Unknow
Peak:m/z	Relative Intensity
57.09942	0.1
59.01366	0.2
61.98829	100.0
62.98537	0.2
63.73706	0.1
69.33712	1.1
80.96523	0.2
98.67921	0.1
110.55723	0.1
114.36637	0.1
118.44450	0.1
144.26582	0.1
151.36133	0.1
171.10303	0.4
172.10643	0.2
277.21744	0.3
278.22205	0.5
279.22476	0.3
281.31079	0.1
314.79153	0.1
353.72827	0.1
583.69183	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.4022
Annotation	Unknow
Peak:m/z	Relative Intensity
56.25408	0.1
59.01371	0.2
61.98829	100.0
69.24591	0.2
70.55495	0.5
116.24599	0.1
119.90047	0.1
122.65750	0.2
125.01443	0.2
153.98477	0.2
171.10291	0.5
172.10612	0.4
237.14850	0.2
277.21799	0.4
278.22299	0.3
279.23224	0.2
286.78308	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.5472
Annotation	Aralia cerebroside
Peak:m/z	Relative Intensity
55.01878	2.4
57.03461	2.2
58.00586	4.3
59.01380	100.0
59.98843	1.5
61.98823	2.5
69.95015	3.7
69.95422	6.2
71.01384	67.9
72.04534	3.9
72.99299	7.2
78.17802	1.6
83.01370	3.1
84.20384	1.8
85.02964	11.3
87.00869	2.7
89.02444	84.6
95.01379	2.9
98.19917	1.9
101.02441	50.3
113.02451	31.4
119.03505	49.5
131.03499	6.5
143.03506	7.9
149.04501	4.0
158.66737	1.7
161.04558	8.9
172.49675	1.7
179.05611	21.7
221.48114	1.6
223.20702	2.8
225.22218	31.5
253.21593	5.0
271.22818	10.7
272.23035	1.8
314.27234	3.0
326.27014	75.4
327.27390	9.8
447.56519	1.9
453.99503	1.7
550.48523	3.2
568.49438	7.7
730.54657	35.5
731.55164	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	731.2204
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01299	0.5
60.99306	19.9
61.98819	1.4
68.98613	0.6
70.55656	0.9
70.55994	1.1
73.63998	0.5
78.95927	0.5
87.00883	7.6
88.00399	2.2
88.98807	100.0
89.02442	33.8
89.03011	1.1
89.99132	1.3
103.85002	0.5
104.81883	0.5
122.35007	0.5
143.76944	0.5
151.15533	0.5
197.18976	0.6
257.25546	0.6
331.92499	0.6
374.85217	0.5
382.59427	0.6
391.43414	0.6
437.12506	0.6
438.13513	1.9
439.14050	1.7
453.15201	0.6
455.10309	0.7
467.13751	2.9
468.14017	0.8
481.15161	18.8
481.22049	1.2
482.15640	9.2
483.16122	1.4
495.16525	2.5
496.17004	0.7
497.18375	5.1
498.18985	1.1
514.14960	6.7
515.15027	2.8
525.14154	0.7
528.16187	0.8
540.16504	4.8
541.16779	1.3
555.18890	43.6
556.19122	14.1
567.18372	0.8
572.15369	6.7
573.15588	2.4
641.11389	0.6
641.22638	2.0
642.22662	0.6
643.23004	0.7
659.23639	26.7
660.23877	8.6
731.25757	4.7
732.25482	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	729.2605
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.7
57.03434	1.2
59.01384	10.7
61.98826	2.2
65.13631	1.1
68.99805	1.5
69.30197	6.0
69.30621	4.8
71.01374	12.4
71.54026	1.2
72.99306	4.5
73.02956	1.9
75.00878	13.2
83.01346	1.5
85.02954	13.4
87.00888	3.5
88.92060	1.1
89.02431	3.3
93.03465	1.7
95.01366	4.4
99.00880	7.2
101.02438	1.2
113.02450	14.5
115.00424	1.5
117.01957	1.9
121.02956	56.0
122.03248	3.5
123.12032	1.1
125.02443	2.4
129.01976	1.4
140.48906	1.1
149.02409	2.9
150.03215	1.8
165.01906	3.5
165.05515	1.6
175.02466	2.1
180.04259	2.9
195.06589	2.5
206.08220	2.0
208.03737	3.1
208.96381	1.0
223.06134	8.0
225.07538	2.1
231.05029	4.1
237.79691	1.1
249.06143	39.4
250.06465	1.5
337.17548	1.2
371.09814	100.0
372.10181	11.4
449.14111	2.0
496.83862	1.1
536.38000	1.3
598.54980	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.2987
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56432	0.2
59.01380	0.9
63.34367	0.2
65.99933	0.2
69.19238	2.5
71.01386	0.7
88.98815	0.4
89.02446	0.6
93.03503	0.4
93.90948	0.2
98.20677	0.4
101.02449	0.3
104.29012	0.2
113.02487	0.4
119.05026	88.4
120.05354	4.0
123.04508	0.2
125.02438	0.7
134.43515	0.3
150.03368	0.2
151.01767	0.2
163.04005	100.0
164.04346	5.5
167.58333	0.2
179.05511	0.3
193.05112	0.2
231.43158	0.2
241.07214	0.3
271.02524	0.7
272.02841	0.5
273.03018	0.5
274.76895	0.3
299.01935	1.6
299.14987	0.6
300.02304	1.5
301.02606	1.0
302.03568	0.3
303.04184	0.2
325.09265	18.0
326.09589	1.9
389.88937	0.2
462.08072	0.4
463.08078	0.5
464.08868	0.5
475.66339	0.3
553.14294	0.2
567.12402	0.6
729.17554	2.6
755.39777	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.4273
Annotation	Unknow
Peak:m/z	Relative Intensity
55.00189	0.5
58.38029	0.3
59.01381	18.8
61.98827	0.6
71.01378	1.9
71.38574	0.7
73.02944	1.0
82.71701	0.4
84.17661	0.4
85.02922	0.6
87.00871	0.7
89.02449	1.4
101.02443	1.9
113.02451	1.0
125.09739	0.7
127.11284	1.2
138.81274	0.4
159.14926	0.4
160.48880	0.4
161.04543	1.0
171.10266	80.3
172.10617	4.8
221.51541	0.4
235.08246	3.6
253.09247	7.9
277.21713	100.0
278.22049	11.5
279.23032	0.5
313.43640	0.4
391.77777	0.5
407.19064	1.0
479.51581	0.4
484.01138	0.4
505.25052	0.4
513.30652	1.2
656.89795	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.4271
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	14.3
61.98826	0.4
70.28008	1.0
71.01376	1.5
83.28947	0.3
85.02988	0.5
87.00900	0.4
89.02449	1.3
95.88412	0.3
101.02443	1.3
101.59299	0.3
102.76907	0.3
113.02464	0.6
119.03489	0.3
125.09741	0.4
127.11288	1.5
143.03516	0.3
153.09229	0.5
161.04561	0.6
171.10268	100.0
172.10576	5.3
218.75696	0.3
235.08252	1.5
235.95149	0.3
240.87729	0.3
245.84482	0.3
253.09309	5.5
254.09303	0.4
277.21716	49.3
278.22070	6.4
294.38602	0.3
317.88879	0.3
363.39368	0.3
407.19284	2.2
623.89362	0.3
727.44952	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.2044
Annotation	Unknow
Peak:m/z	Relative Intensity
57.10420	0.3
59.01363	1.8
61.70486	0.3
61.98830	100.0
68.83470	0.3
71.01397	1.0
71.05363	0.3
71.56054	0.4
72.99326	0.5
75.00873	1.8
85.02945	0.4
87.00895	0.5
89.02479	0.5
96.96031	0.9
98.69518	0.3
101.02428	0.7
109.02979	0.6
115.98132	0.3
135.03032	0.4
135.04506	0.4
137.02470	1.5
139.00325	0.5
151.00345	3.0
151.03972	0.6
166.02718	9.3
166.04039	0.5
167.03299	0.5
177.01981	0.4
179.03462	0.5
181.05066	13.6
182.05385	0.5
387.10800	2.4
388.11325	0.6
402.13046	1.9
417.15524	31.6
418.15771	4.2
662.49878	0.4
683.39136	0.5
684.39569	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.2251
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	0.9
59.01379	3.6
61.98828	12.5
65.15043	0.9
66.01277	0.8
67.45459	0.8
71.01386	5.6
75.00875	2.7
83.01378	0.9
85.02950	1.0
87.00893	1.3
89.02441	1.5
93.03475	1.7
99.00876	1.3
101.02449	1.1
104.90145	0.7
111.00935	0.8
113.02450	1.9
117.01951	2.5
119.05045	1.2
121.02969	4.1
123.04504	0.9
125.02459	3.1
134.03705	0.9
135.02962	1.7
135.04549	5.1
136.01634	1.4
137.02455	5.8
149.02440	27.2
150.03084	0.8
151.04015	1.7
152.01157	7.0
163.04010	8.3
164.01060	1.0
164.04822	18.4
165.01930	47.9
166.02428	2.0
167.03510	1.5
169.05032	2.4
179.03537	8.8
179.07112	8.0
180.04279	32.7
181.04845	1.2
192.99765	1.3
193.01402	17.5
194.05766	2.0
195.02931	1.4
195.06615	46.0
196.06895	1.9
205.05243	1.0
206.05801	1.6
208.03769	36.3
209.04117	3.2
210.05342	8.7
211.05849	0.9
221.08199	1.3
223.06108	100.0
224.06429	5.8
225.07686	32.5
226.08020	2.5
265.07202	3.7
281.14014	1.2
323.07895	1.0
327.08749	2.0
342.10974	1.4
370.57437	0.9
401.12506	5.0
449.14532	46.3
450.15005	7.2
567.17145	12.2
568.17847	2.0
609.18707	1.3
611.19849	2.9
729.22192	16.1
730.23157	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	727.194
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	3.1
57.03459	5.3
59.01381	37.0
67.01897	2.6
68.99813	1.9
69.03466	8.8
70.95142	2.1
71.01385	19.5
72.99316	2.3
73.02946	17.2
81.03460	5.0
83.01380	3.7
83.05034	1.9
85.02950	56.5
86.03294	1.5
87.00877	100.0
88.01229	1.2
90.34633	0.9
93.03455	6.2
95.01392	20.5
97.02348	1.7
97.02950	25.9
98.03273	1.3
99.00862	2.3
99.04516	4.7
101.02428	2.2
103.04016	10.2
109.02953	8.2
111.00877	7.7
111.04560	1.1
112.29318	1.1
113.02451	18.7
115.00381	12.2
115.03970	1.3
125.02457	2.8
127.03154	1.6
127.04019	18.6
127.04898	2.1
129.01961	1.5
137.02414	4.1
139.00356	12.7
140.88158	1.1
141.05568	1.4
145.05066	9.2
149.02428	1.7
151.04025	1.5
155.03484	3.6
157.01434	10.1
167.03508	1.7
169.05074	4.0
171.02985	2.5
173.04625	2.5
175.02478	58.5
176.02811	1.5
179.03439	1.3
181.01437	2.5
195.08549	1.3
199.02484	38.6
213.04019	1.6
217.03532	19.8
241.03557	1.7
284.03058	1.3
285.06128	2.6
301.05698	1.6
303.07208	15.7
321.08215	4.7
345.08279	9.9
359.20105	1.2
387.09344	16.5
388.09686	1.6
405.10434	6.9
563.12299	2.8
623.14642	6.9
685.17920	2.1
709.18347	13.2
710.19281	2.7
727.19086	16.0
728.19592	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	727.2608
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01067	0.2
56.47729	0.2
59.01369	0.5
61.98829	0.6
64.72333	0.2
67.21052	0.2
68.71089	0.1
69.67065	0.5
69.67490	0.5
77.03984	0.3
77.41600	0.1
85.02949	0.2
87.23693	0.1
91.42432	0.1
93.03458	0.6
96.95990	0.2
98.19907	0.2
101.02448	0.2
106.73988	0.2
108.02164	0.2
109.02992	0.3
110.86391	0.2
118.44467	0.2
121.02956	100.0
122.03284	3.6
125.02389	0.2
130.18457	0.2
137.02435	0.7
149.34808	0.2
151.00359	0.2
151.03990	0.3
152.01213	0.2
161.02391	0.2
166.02708	0.7
170.34746	0.2
175.03949	0.3
177.02025	0.2
181.05034	0.8
187.04047	0.2
189.28871	0.1
190.06406	0.2
205.05099	0.5
209.11850	0.2
220.07344	0.2
230.99809	0.2
240.04591	0.2
295.09906	0.3
341.10254	0.2
371.11276	1.5
372.11731	0.2
374.37125	0.2
386.13715	1.0
387.14471	0.2
401.16037	4.3
402.16309	0.6
420.51468	0.2
450.17117	0.2
508.17233	0.4
523.19714	20.0
524.19965	3.6
524.27167	0.3
723.32611	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.1728
Annotation	Primflaside
Peak:m/z	Relative Intensity
59.01380	0.6
59.16087	0.3
60.98443	0.3
63.02421	0.3
65.00352	0.6
69.12018	0.3
71.01369	0.4
89.02444	0.4
98.20661	1.0
102.50616	0.3
107.01377	1.3
109.02949	0.5
119.05022	7.1
121.02956	0.8
125.02451	0.9
133.02966	0.7
135.00909	0.4
143.05022	0.4
147.07219	0.4
149.06085	0.6
151.00359	3.6
155.97655	0.4
163.00331	0.4
163.04007	7.6
163.97096	0.4
171.04474	0.7
175.00317	0.8
175.03963	0.7
176.99582	0.4
177.01942	0.6
178.99898	1.0
187.04031	0.5
197.02495	0.4
199.04005	2.8
201.01984	0.8
215.03464	1.6
226.02663	0.8
227.03519	2.3
242.02260	0.4
243.02988	3.9
245.20731	0.4
254.02148	0.7
255.02942	2.1
271.02466	50.5
272.02750	4.0
273.03955	0.5
283.02469	0.7
297.10074	0.6
297.13385	0.5
299.01953	100.0
300.02560	16.1
301.03500	11.4
302.03806	0.8
325.09161	0.7
395.20392	0.4
415.06461	0.6
462.08011	24.5
463.08652	5.2
565.11914	21.6
566.12250	2.6
598.18060	0.5
727.17218	55.1
728.17578	11.9
751.99030	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.194
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96886	1.3
55.01888	1.8
57.03442	6.4
57.47926	1.0
58.46246	1.0
59.01378	35.9
62.91325	1.1
65.03970	1.4
67.01897	2.6
68.99810	2.1
69.03451	10.5
71.01379	19.6
71.13049	2.6
72.99307	2.5
73.02950	14.6
74.34917	1.2
80.36717	1.1
81.03443	5.8
83.01389	5.7
83.05043	2.6
85.02949	60.3
86.03308	1.7
87.00876	100.0
88.01192	2.1
89.02414	1.2
93.03468	5.4
95.01384	20.8
96.96011	1.8
97.02955	26.7
97.33206	1.0
99.00872	2.8
99.04527	5.0
101.02458	1.8
103.04003	10.1
108.02200	1.2
109.02948	8.1
111.00861	8.2
113.02452	19.9
115.00362	11.7
115.03996	1.9
119.05083	1.5
121.02957	2.2
123.04537	3.2
125.02438	7.0
127.04008	18.6
137.02473	3.8
139.00363	18.3
139.04036	1.8
141.05618	1.5
145.05025	6.8
149.37918	1.3
151.03960	1.3
153.01955	2.0
155.03465	3.5
157.01419	11.4
160.06546	1.2
167.03455	2.2
169.05037	5.4
171.03026	2.9
173.04561	3.8
175.02467	54.6
180.38599	1.2
181.01479	2.5
199.02478	41.9
200.02829	1.8
217.03517	22.6
218.03804	1.3
241.03535	2.4
253.03546	2.0
276.85977	1.2
281.22186	1.3
283.02432	1.7
285.06277	1.9
303.07193	15.7
321.08249	6.3
345.08206	8.5
387.09290	15.5
388.09552	1.5
405.10321	7.8
509.11227	1.6
563.12585	3.1
623.14624	9.8
667.16876	1.9
685.18445	2.6
709.18182	14.9
710.18958	3.2
727.19348	22.9
728.19678	2.8
741.93481	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.1932
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02959	0.6
59.01382	2.7
64.99983	0.4
65.00319	0.7
68.67569	0.4
70.94420	0.4
71.01388	1.2
71.26688	1.1
89.02461	0.9
92.21326	0.4
100.59174	0.4
101.02439	0.7
101.59384	0.4
107.01398	1.0
113.02452	0.7
121.02911	0.5
129.33086	0.5
133.03009	0.5
149.04570	0.6
151.00381	3.5
164.07141	0.8
170.55586	0.5
175.03928	0.5
178.99854	0.6
199.04001	2.7
201.01935	0.7
206.08170	1.0
215.03442	1.5
226.02541	0.5
227.03461	2.6
236.38585	0.5
243.02904	2.7
249.06104	0.6
255.02994	3.0
271.02457	46.8
272.02820	3.7
283.02496	2.7
284.03241	1.6
285.04050	1.3
299.01947	100.0
300.02527	16.1
301.03448	6.3
329.13895	0.9
371.09900	0.6
446.08511	31.6
447.09048	4.2
461.33813	0.5
503.19397	0.7
579.13525	10.2
579.22308	0.9
580.13623	1.1
725.19293	67.5
726.19629	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	725.1932
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	0.6
65.00349	0.5
69.42664	3.9
71.10704	0.5
91.88448	0.5
93.03463	0.6
102.47761	0.4
107.01427	1.2
117.80645	0.5
139.27452	0.5
151.00401	1.5
151.87837	0.5
159.04512	0.6
160.68622	0.5
161.08205	0.8
173.02441	0.5
179.00040	0.6
183.04558	1.8
189.05647	0.7
211.04019	2.5
227.03473	9.3
229.05072	1.2
239.03435	0.6
255.02979	49.0
256.03479	4.9
257.04504	1.4
269.04388	0.5
283.02469	100.0
284.03189	38.7
285.04001	36.3
286.04385	3.4
297.04037	0.7
299.01990	0.5
326.04346	1.1
327.05069	1.0
336.33838	0.6
446.08496	14.1
447.09070	3.3
563.14038	90.5
564.14355	13.0
564.22687	1.0
579.13580	1.8
605.15063	2.3
656.42023	0.6
725.19214	18.4
726.19641	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	725.2089
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	6.5
61.98817	3.5
63.02401	10.5
64.77048	1.2
65.00324	8.1
69.03422	2.9
71.01372	4.8
72.99290	1.1
73.02970	1.7
73.75305	1.2
83.01401	9.2
85.02965	1.8
89.02425	1.3
95.01380	3.2
98.20660	2.4
99.00858	1.7
107.01384	20.1
113.02428	1.7
113.34463	1.1
123.00867	1.2
124.01633	1.1
133.90318	1.2
137.02396	1.3
151.00372	49.4
152.00700	1.8
163.00375	5.8
164.01155	1.8
169.01367	2.9
195.63560	1.2
197.09703	2.7
211.04056	1.3
227.03572	1.6
237.09132	1.3
240.04222	4.9
249.09181	1.8
255.02963	4.2
256.03705	2.2
278.80588	1.2
283.02509	9.5
284.03204	14.7
285.04065	1.2
289.12265	2.0
297.04025	21.1
298.04214	1.2
329.07785	1.6
331.09677	2.4
333.11310	3.2
343.09650	2.1
344.06726	3.5
357.07846	1.9
359.09189	12.2
361.10809	16.4
362.11127	1.3
373.07098	4.2
385.07193	2.5
387.08746	54.3
388.09344	22.2
389.10284	77.8
390.10727	7.6
415.08221	29.5
416.08649	3.9
433.09271	41.4
434.09576	5.5
519.24677	2.0
534.15192	2.3
535.16040	8.6
536.16046	1.4
561.14056	31.2
562.14355	4.9
563.13757	1.8
579.15076	82.6
580.15253	13.6
588.51190	1.3
665.38666	1.8
681.21582	3.0
725.20837	100.0
726.21118	25.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.4475
Annotation	Trungapeptin C
Peak:m/z	Relative Intensity
59.01386	4.4
61.98823	5.5
62.46007	1.4
71.01385	4.7
71.54837	2.1
78.95929	1.5
85.02956	2.5
89.02439	2.0
97.39816	1.8
99.04465	1.6
101.02430	2.5
102.56298	1.6
113.02493	1.9
142.73274	1.6
161.04526	1.8
165.12842	5.6
173.28789	1.4
173.45282	1.5
183.13908	100.0
184.14244	6.5
207.29485	1.5
209.11795	2.9
227.12927	5.5
235.08253	2.7
253.09268	5.8
279.23282	43.6
280.23666	2.4
363.97882	1.5
445.20840	3.3
463.22037	5.9
725.44897	57.0
726.45087	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	723.4324
Annotation	Trungapeptin B
Peak:m/z	Relative Intensity
59.01375	6.5
71.01377	4.3
73.02958	1.3
73.92667	0.6
83.01402	0.8
85.02924	1.5
87.00876	0.9
89.02454	2.8
94.75552	0.6
95.30610	0.6
97.06657	0.6
101.02463	4.0
111.08176	1.1
113.02463	2.0
119.03505	0.8
127.42884	0.6
128.94284	0.6
161.04555	2.3
165.12842	6.6
183.13898	100.0
184.14230	6.9
184.15761	1.0
209.11809	2.9
227.12872	5.9
235.08240	2.9
253.09258	6.1
277.21719	50.7
278.22028	5.1
419.22928	1.0
445.20721	1.7
463.21793	5.4
464.22223	0.9
705.43732	0.6
723.43256	66.0
724.43561	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	724.3399
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36275	0.3
52.80439	0.3
59.01382	1.0
61.98830	100.0
66.77946	0.3
73.03542	0.3
118.52315	0.3
151.03966	0.4
152.53059	0.3
188.61290	0.4
194.10899	0.3
229.04057	0.4
277.21347	0.3
465.16931	0.3
674.19135	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.1934
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28177	0.4
59.01374	2.3
63.02406	0.6
73.02994	0.5
83.01394	0.8
85.02972	0.9
87.00884	1.9
89.02467	0.7
93.03458	0.7
98.20628	1.6
101.02471	0.7
102.13014	0.5
107.01398	0.7
117.03488	0.6
123.04488	0.5
125.02439	1.0
129.01982	0.5
135.03008	0.7
149.06149	0.8
150.03181	0.5
151.00333	2.8
159.04469	0.8
161.08168	1.5
165.01994	0.7
175.03976	1.0
178.80478	0.6
178.99823	0.8
183.04491	2.0
184.56805	0.5
185.00720	0.6
185.02467	0.7
187.03995	0.6
193.05090	1.2
211.03996	2.5
227.03485	13.4
228.03888	1.5
229.05118	0.7
239.03609	0.6
255.02971	56.8
256.03427	6.2
257.04529	1.2
269.04504	0.8
271.02512	1.5
283.02469	100.0
284.03192	49.2
284.06537	1.2
285.04004	34.2
286.04431	3.0
299.01950	3.0
300.02530	1.0
326.04330	1.1
327.05145	0.7
329.14011	0.8
399.06857	0.6
430.08865	2.8
446.08484	12.6
447.09131	2.1
563.14050	77.8
564.14337	10.0
579.13507	23.3
580.13965	3.5
605.15253	1.7
725.19232	20.1
726.19287	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	725.1936
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	0.6
59.50102	0.4
63.01500	0.5
63.02410	0.8
65.00351	0.6
69.43714	2.8
78.64963	0.4
78.82382	0.5
83.01383	0.7
89.02438	0.6
93.03467	0.6
93.62251	0.4
95.84509	0.5
98.19900	1.0
100.16045	0.4
107.01414	0.7
151.00349	3.0
155.05026	0.7
167.04901	0.5
169.06593	0.4
169.55817	0.5
171.04568	0.5
173.41127	0.4
178.99808	1.2
183.04555	2.2
185.06082	0.8
195.51837	0.4
199.04034	0.5
211.03976	2.6
213.05385	0.6
215.03464	0.5
227.03488	15.8
228.03954	1.3
229.05107	0.8
237.31779	0.5
255.02985	54.9
256.03455	5.7
257.04489	1.4
271.02313	1.2
283.02481	69.7
284.03223	51.5
285.03964	23.3
286.04407	1.7
299.01929	2.2
327.05008	0.7
398.34961	0.6
429.08246	1.2
430.09015	11.9
431.09293	2.4
434.63107	0.5
555.34778	0.5
579.13544	100.0
580.13916	17.3
603.28320	0.5
725.19501	6.0
726.19598	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.4323
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00602	0.3
59.01380	2.7
70.76988	0.4
70.77325	0.2
71.01384	2.2
73.02940	0.3
80.02659	0.9
81.03468	0.8
83.01407	0.5
83.05024	4.1
84.02165	0.5
85.02963	0.5
87.00867	0.4
89.02448	2.1
95.05032	0.6
97.06578	0.3
99.00838	0.2
100.60979	0.2
101.02444	2.3
104.39906	0.2
109.06601	0.3
113.02465	1.3
114.07462	0.2
119.03513	0.4
124.73708	0.2
125.06076	0.6
125.09673	0.3
135.08189	0.5
143.03436	0.3
160.30992	0.2
161.04555	0.9
163.11292	3.4
164.11679	0.3
165.12868	2.2
168.30617	0.2
179.05583	0.4
181.12347	0.5
182.12746	0.2
191.10786	0.8
199.13435	0.2
209.11818	100.0
210.12143	7.2
227.12871	11.3
228.13229	0.8
235.08141	1.4
242.83586	0.2
250.83586	0.2
253.06625	0.4
253.09274	7.6
254.09656	0.4
277.21710	51.0
278.22034	5.6
407.34705	0.2
445.20834	1.0
446.21249	0.3
446.29501	0.2
463.21762	0.3
633.05066	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.2871
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	2.2
57.03436	2.0
58.00583	1.2
59.01380	34.7
61.98820	2.0
67.01881	0.8
69.03451	12.3
69.22772	5.4
71.01007	1.2
71.01385	22.7
72.99298	3.0
73.02946	11.2
79.01890	0.8
83.01374	3.6
85.02950	13.9
86.00086	0.6
87.00864	2.2
88.98804	1.2
89.02441	5.5
95.01395	4.2
97.02934	2.7
99.00874	5.9
101.02445	14.5
105.01939	2.7
109.63713	0.8
111.00878	1.6
113.02456	18.3
119.03510	1.5
131.54355	0.7
139.00398	0.9
143.03494	2.1
152.07112	1.0
157.01396	1.5
159.03035	1.5
161.04544	6.9
175.02510	1.2
185.00941	5.6
198.48152	0.6
212.79077	0.6
295.09747	1.8
295.16940	3.1
313.18042	10.7
314.18365	1.1
375.27554	1.3
397.20078	0.7
431.24414	2.0
457.22287	20.8
458.22629	3.3
471.23926	0.7
475.23312	9.9
476.23929	1.8
499.23428	1.4
517.24414	100.0
518.24695	15.9
527.94843	0.8
537.32843	12.0
538.33344	1.6
559.25616	1.7
649.25067	1.3
723.34778	2.8
738.82629	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.3343
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.0
58.02978	6.9
59.01376	10.4
61.49855	0.6
61.98574	0.6
61.98836	5.5
69.03463	0.8
70.00533	1.3
70.00894	2.9
70.02973	5.3
71.01382	4.3
72.00892	1.6
72.04568	1.5
73.02936	1.4
74.02473	30.8
85.02943	1.8
87.00881	1.4
89.02433	2.1
94.63487	0.8
98.02491	7.4
101.02441	3.0
111.00795	0.9
113.02443	1.2
116.03547	8.4
116.05065	14.2
116.92946	0.8
119.05019	1.1
125.02428	0.6
130.06633	1.2
142.06595	3.7
147.04564	1.4
151.00412	0.8
159.09294	4.1
161.04605	0.8
165.05550	1.5
186.05637	0.9
201.10385	3.5
203.08253	36.4
204.08591	2.7
207.06593	1.0
227.03455	2.5
231.05096	1.4
245.09291	100.0
246.09634	7.9
255.03000	14.3
256.03406	1.9
281.14111	0.8
283.02505	21.7
284.03204	10.5
285.03989	6.6
309.07846	0.8
339.12384	1.4
430.09052	3.8
431.09552	2.3
446.38034	0.7
448.28671	0.6
515.25378	1.1
532.34216	0.7
533.25922	1.3
575.27704	0.8
577.15576	21.5
578.16095	3.4
723.20441	3.4
724.21936	1.2
742.68506	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.2014
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	6.8
69.23665	5.4
69.97125	25.0
71.01377	5.3
74.59920	5.2
89.02448	13.6
90.40184	5.4
96.96000	6.4
98.19924	6.5
172.12218	6.0
213.94960	5.0
215.03346	9.4
223.42944	5.5
244.71489	4.9
250.95747	5.3
341.10849	28.3
377.08548	100.0
378.09070	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	719.2914
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22486	0.5
55.82472	0.5
57.03446	3.5
59.01368	1.6
60.59228	0.5
61.98812	1.4
65.25320	0.5
68.10432	0.5
69.03449	1.0
69.72915	2.6
71.01376	1.7
72.99284	0.5
73.02942	0.5
77.60516	0.5
81.03454	2.6
83.01381	2.6
87.00853	0.7
93.03442	2.6
95.01377	1.0
95.05042	2.9
97.02950	6.2
101.02417	0.7
108.02167	1.4
109.02953	21.3
111.04503	0.5
113.02371	0.6
121.02970	4.5
122.03722	1.2
123.04525	14.9
124.01634	0.6
124.04799	0.6
125.02449	20.2
126.02786	0.8
133.02975	0.9
134.03752	2.8
135.04509	2.3
136.01688	3.7
137.02446	8.9
138.03136	0.8
139.04054	3.4
143.04927	0.6
145.02960	1.2
146.03729	1.2
147.04526	0.8
148.24617	0.5
149.02461	5.4
149.06070	1.2
150.03215	5.3
151.04013	15.2
152.04503	0.5
155.95961	0.5
157.06497	0.5
159.04472	3.2
160.05254	1.7
161.02443	2.2
161.06084	4.3
162.03204	1.5
163.03952	1.5
164.01183	3.5
164.04718	0.6
165.01891	4.6
165.05574	5.3
166.02655	0.7
167.03493	1.9
173.06064	1.1
174.03195	0.8
175.03992	2.5
175.07613	2.0
177.01860	0.6
177.05513	0.6
179.03473	4.9
180.04153	0.9
182.70108	0.5
185.00945	0.6
185.06064	1.1
187.04001	5.0
188.04770	3.4
195.06651	3.2
199.07721	0.5
200.77031	0.5
201.05676	1.1
202.06322	1.5
203.03549	0.5
203.07144	12.4
204.07397	0.7
205.05055	6.4
212.04858	0.7
221.08163	3.0
224.04768	0.6
227.07149	2.8
230.05769	0.8
241.05115	3.0
245.08150	17.0
246.08504	1.5
247.06161	1.1
255.06711	0.5
256.07324	1.5
271.06470	0.5
271.09845	4.3
284.07108	0.5
287.05621	1.6
289.07178	100.0
290.07486	8.2
299.09216	0.9
319.11804	1.6
429.21201	0.8
451.32547	0.6
467.17020	3.6
515.19360	1.9
585.76978	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.2159
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	2.1
60.73774	0.3
61.98832	100.0
65.35388	0.3
78.95886	0.4
100.35710	0.3
105.20572	0.2
152.99678	0.4
207.10376	0.3
225.11394	0.9
255.23405	0.6
277.21759	0.7
425.62128	0.3
456.16458	0.3
483.27484	0.4
601.22437	0.3
602.22278	0.6
660.22107	0.6
720.23267	3.2
721.22681	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.3449
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	2.8
61.98829	100.0
71.01373	0.5
76.12138	0.3
80.91654	0.4
87.00894	0.6
96.96021	0.5
101.02457	0.4
120.07874	0.3
125.02400	0.4
189.08835	0.4
228.99611	0.5
364.11252	0.4
585.31561	0.4
648.37988	0.4
677.39282	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.3648
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	39.2
61.98832	8.5
71.01017	2.5
71.01387	26.3
71.44314	2.6
72.99294	3.1
73.02943	5.0
79.93732	1.7
83.01321	2.3
85.02946	5.7
87.00885	4.2
89.02450	22.7
97.02952	7.2
101.02454	23.0
110.35963	1.7
113.02447	13.3
119.03497	5.6
125.02437	11.5
141.01950	1.6
143.03456	3.6
161.04538	5.0
168.75238	1.6
179.05591	4.7
235.08171	11.1
253.09177	2.7
255.23111	2.0
263.20142	68.0
264.20486	5.4
287.07657	3.7
305.08743	3.0
355.98761	1.8
397.13486	100.0
398.13928	9.3
415.14594	32.9
416.15228	2.8
705.90308	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	713.4737
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24607	0.3
59.01368	1.5
61.98541	0.3
61.98833	5.0
69.56270	1.9
71.01387	0.9
83.05022	0.6
85.02953	0.3
85.20537	0.3
87.00870	0.4
89.02431	0.4
101.02477	0.5
119.03471	0.3
161.07135	0.4
164.31964	0.3
189.86708	0.4
194.64084	0.4
195.08157	0.6
232.03070	0.4
287.78995	0.4
311.08911	0.4
347.26685	0.3
597.65863	0.4
666.98376	0.5
677.49670	3.5
678.50836	0.5
713.47339	100.0
714.47687	27.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	714.2639
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24076	0.7
61.49025	0.7
61.98830	100.0
63.61702	0.6
64.53879	0.6
66.23636	0.7
69.41143	2.4
69.41569	3.3
78.95920	1.2
98.19740	0.6
134.80840	0.7
156.38724	0.7
164.53667	0.8
179.27361	0.8
182.83253	0.7
186.57880	0.7
214.88373	0.8
230.79671	0.8
236.85489	0.7
255.23283	3.4
256.23761	0.7
531.18384	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.1514
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88793	0.7
55.88034	0.7
59.01379	32.5
61.98822	3.1
65.00335	1.1
72.99327	4.3
86.19695	0.7
98.19745	1.5
103.05537	2.1
107.01392	2.4
109.02954	1.4
119.05040	5.1
121.02952	1.4
122.72609	0.8
147.04523	86.7
148.01564	1.0
148.04872	2.5
151.00385	7.7
163.00363	2.1
165.05563	72.3
166.05981	3.8
178.99934	4.5
207.06625	47.1
208.06949	3.1
227.03375	2.1
229.43484	0.9
243.02968	6.8
254.02193	1.9
255.03009	17.5
256.03287	1.0
271.02463	39.9
272.02829	3.7
300.02734	77.1
301.03442	29.7
302.03833	2.8
311.29733	0.8
364.92395	0.8
463.08813	100.0
464.09012	12.7
468.68082	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.3548
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37975	4.0
57.03436	5.2
59.01379	100.0
61.98824	68.5
69.56113	31.7
71.01382	54.9
72.99309	10.0
73.02935	11.7
76.00428	4.1
83.01364	6.4
85.02955	23.3
87.00878	13.9
88.98816	6.9
89.02454	23.1
96.96037	5.9
99.00915	5.4
101.02454	27.3
113.02448	30.2
119.03507	5.0
141.08727	4.7
161.56744	5.3
170.88394	4.6
179.77664	4.2
230.83675	4.8
295.09714	10.4
467.30246	6.3
611.34241	72.3
612.34912	10.2
629.35309	65.1
630.35907	11.4
650.08588	5.7
715.36011	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	716.371
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.1
61.98831	100.0
62.98530	0.2
62.99271	0.1
86.36794	0.1
101.02454	0.1
101.10367	0.1
113.92751	0.1
200.28770	0.1
201.64252	0.1
225.31020	0.1
254.53697	0.1
256.23618	0.1
276.80890	0.1
320.89581	0.1
367.54706	0.1
399.14343	0.1
400.14767	0.1
418.49106	0.1
466.32880	0.1
582.80841	0.1
717.80939	0.1
720.72772	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	716.3708
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65615	0.1
59.01373	0.5
61.98830	100.0
62.98537	0.2
69.35342	1.1
69.35752	0.3
82.92477	0.2
87.56693	0.1
89.02448	0.2
98.20679	0.3
145.48381	0.1
261.94647	0.2
682.78961	0.2
717.25037	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.2411
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17857	0.6
55.34070	0.5
57.02325	0.6
61.98830	1.5
71.54597	0.6
71.54977	0.7
72.99307	7.8
73.02948	1.3
75.00871	100.0
76.01221	1.7
112.66801	0.6
177.93086	0.6
263.80161	0.7
282.44171	0.6
481.15341	1.9
555.18713	4.4
556.19305	1.5
641.22729	2.7
642.22852	1.1
711.49548	0.7
717.24188	13.5
718.24298	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	717.2415
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
61.98830	95.8
69.26482	12.9
71.32194	1.3
79.43799	1.2
98.20638	2.9
185.12738	1.7
225.92685	1.5
355.18854	1.2
438.09610	1.7
453.11594	1.9
457.18619	1.7
467.13251	1.6
481.11087	2.2
495.12100	2.0
496.13824	16.3
497.14566	11.3
498.15320	2.3
510.15417	6.0
511.16214	10.6
512.17010	3.3
513.17682	5.4
538.14716	1.7
539.19635	2.9
542.14026	1.6
544.15784	6.8
545.16101	1.7
567.18903	15.0
568.18829	3.1
571.18341	12.9
572.18762	3.4
597.20044	4.2
598.20215	4.3
599.21558	38.5
600.21643	8.6
602.16394	2.7
603.16522	2.1
625.19562	2.4
630.19330	2.4
631.20398	1.9
657.22040	19.6
658.22290	7.8
717.24127	83.1
718.24469	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	711.3809
Annotation	Unknow
Peak:m/z	Relative Intensity
55.09817	1.0
56.98664	1.1
58.00587	1.6
59.01107	1.8
59.01381	27.2
59.14137	1.1
61.98824	4.0
62.88632	1.1
71.01383	24.3
71.25418	1.9
72.99274	2.0
73.02945	3.0
75.63571	1.2
78.95905	1.4
81.03428	1.5
83.01412	3.3
85.02938	3.8
87.00867	4.8
89.02444	22.0
97.02950	3.6
99.00881	1.9
101.02444	18.3
113.02441	11.5
119.03521	6.3
125.02431	9.2
143.03493	4.5
161.04555	4.4
179.05624	5.6
202.26135	1.3
220.27377	1.0
221.06693	1.8
234.21393	1.2
235.08220	9.6
245.06563	1.8
247.74413	1.3
253.09276	2.2
253.21722	54.6
254.22023	4.0
269.43332	1.2
277.21719	16.3
287.07690	3.5
305.08682	3.9
323.09763	1.9
397.13489	100.0
398.13803	7.7
415.14529	27.8
416.15002	2.5
651.35687	2.2
675.35559	1.9
711.33679	10.9
712.33704	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	713.2298
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.9
61.98827	3.2
66.22159	0.3
71.01371	2.2
72.99316	0.4
73.02921	0.5
75.00867	1.3
87.00933	0.4
88.98807	1.3
89.02452	1.1
92.07191	0.4
93.03474	0.6
98.19899	0.7
101.02464	0.9
103.60931	0.4
113.02433	0.7
117.01923	0.9
119.03527	0.5
121.02943	1.3
135.04489	2.3
149.02435	14.3
150.02806	0.5
151.03978	0.9
152.01149	6.9
163.04008	5.3
164.04788	15.5
165.01855	0.9
165.05083	0.8
167.03458	0.9
169.05067	2.6
179.07138	6.7
180.04257	0.4
180.07275	0.4
190.02635	0.5
193.01408	12.5
194.60083	0.4
206.05864	0.7
207.03036	0.6
208.03758	36.9
209.04120	1.7
221.08197	0.4
223.06104	100.0
224.06474	5.5
265.07166	2.4
355.10245	0.6
413.30695	0.4
433.14993	25.1
434.15262	2.8
439.66998	0.5
452.25510	0.4
475.15610	0.4
544.90021	0.4
551.17755	2.7
552.17664	0.7
595.20026	3.3
596.20892	0.7
669.34546	0.8
713.22858	8.3
713.34845	0.6
714.23627	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	710.4489
Annotation	Unknow
Peak:m/z	Relative Intensity
61.61567	0.5
61.98832	100.0
70.60887	0.7
70.61228	0.4
73.15469	0.3
78.95958	0.9
110.98559	0.7
177.05338	0.3
262.33099	0.4
263.66531	0.4
279.23294	5.7
280.23666	4.5
647.45319	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.1777
Annotation	Unknow
Peak:m/z	Relative Intensity
55.66758	0.4
59.01369	0.5
62.57470	0.3
65.00332	0.6
69.53146	2.4
76.56590	0.4
81.12028	0.4
83.37178	0.4
87.55858	0.3
96.64919	0.3
98.19971	0.5
107.01402	1.1
109.02943	0.5
116.92856	0.5
121.02945	2.2
133.02991	0.6
134.03734	1.7
143.77640	0.3
145.84219	0.4
149.02475	0.4
150.03207	1.0
150.57690	0.4
151.00352	4.2
163.00362	0.3
165.05588	1.0
171.04457	0.7
174.73570	0.4
175.04016	0.4
178.99838	1.2
187.04027	0.6
193.05109	2.4
195.06677	0.5
199.03999	2.1
201.01878	0.7
203.03406	0.4
209.04524	1.3
211.04092	0.5
215.03450	1.4
226.02684	0.5
227.03484	2.7
243.02966	4.0
244.03333	0.5
255.02956	2.1
271.02460	53.7
272.02814	4.4
299.01950	100.0
300.02554	18.4
301.03464	8.9
302.03839	1.3
328.49036	0.4
341.10187	0.5
389.12225	1.2
446.08521	28.6
447.09100	4.8
564.04791	0.4
565.11969	14.5
566.12134	2.4
711.17761	63.4
712.18036	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	709.3207
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	19.2
61.98834	28.2
67.37081	1.5
69.76141	3.6
69.76553	7.0
71.01384	9.0
72.99310	4.8
73.02934	3.0
76.34960	1.8
83.05041	2.4
85.02952	3.3
87.00883	5.1
88.98804	2.3
89.02453	3.9
99.00878	2.5
101.02457	4.1
105.01960	2.0
113.02448	5.4
121.02960	2.5
123.17813	1.9
125.02412	1.7
134.11790	1.7
147.04520	1.6
150.06816	2.0
173.38889	1.7
201.01045	1.7
209.11823	100.0
210.12180	5.4
225.77533	1.4
227.12898	27.9
228.13123	2.2
232.51378	1.8
235.08266	4.6
253.09265	7.5
255.03011	2.2
283.02383	3.2
295.09659	5.8
302.26117	1.9
445.20596	3.8
505.32043	2.8
529.24036	1.7
562.54395	1.9
563.13776	4.1
649.39709	1.9
665.36816	1.9
709.30762	17.4
710.32477	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	709.418
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75589	1.4
51.32191	1.4
53.17603	1.4
56.64532	1.3
57.03447	3.0
59.01394	7.2
61.38195	1.5
61.98826	9.8
69.25846	15.8
71.01397	3.6
78.95906	10.4
83.05011	2.3
87.00874	1.8
89.02419	2.0
97.06583	7.1
101.02417	3.2
110.98549	1.6
113.02438	2.8
115.87257	1.6
117.46902	1.5
151.11263	15.5
152.99565	13.3
169.12344	55.1
170.12697	2.2
172.44106	1.5
172.76567	1.5
195.10274	5.7
201.11293	8.7
209.11826	10.7
213.11363	8.8
253.09293	3.0
277.21698	62.1
278.21942	7.1
279.23288	18.3
280.23538	1.8
431.19150	2.5
447.25174	2.1
449.20187	4.3
455.16687	2.7
473.17886	11.7
650.25061	1.8
709.41339	100.0
710.41827	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	709.4176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34663	1.2
55.22483	1.2
59.01381	7.0
59.07395	1.2
61.98829	7.1
65.01785	1.0
71.01372	5.8
71.77982	1.3
78.95884	4.4
83.01372	1.9
83.05005	1.3
85.02966	1.5
86.72132	1.2
87.00864	1.2
89.02440	3.2
97.06548	1.8
98.20651	3.3
101.02425	3.8
113.02402	2.0
151.11290	12.1
152.99574	6.5
161.04565	1.6
164.24725	1.1
169.12335	100.0
170.12685	5.7
195.10196	3.1
201.11298	4.6
209.11827	5.3
213.11269	13.5
235.08197	1.9
253.09308	3.6
264.48679	1.1
277.21707	27.2
278.22079	4.1
279.23141	2.2
284.20551	1.2
318.44312	1.3
333.13147	1.2
339.14447	1.2
431.19275	2.9
449.20364	9.7
473.17847	4.7
537.90051	1.6
689.86749	1.3
691.38800	1.8
709.41522	91.3
710.41974	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	709.198
Annotation	hermannioside B
Peak:m/z	Relative Intensity
56.74302	0.7
59.01365	3.8
61.39879	1.0
61.98827	1.1
64.67667	0.8
65.25969	0.8
71.27834	2.1
81.44315	0.9
83.01417	1.0
84.91830	0.8
89.02450	1.7
96.96023	8.1
101.02409	1.9
113.02383	1.0
113.20827	1.0
117.03456	2.0
131.89862	0.9
151.00377	2.1
155.05107	0.9
159.04521	1.1
169.06522	1.0
183.04474	3.6
185.06068	1.2
187.03865	1.0
211.03984	2.6
213.05608	1.2
227.03470	11.9
228.03972	1.0
229.04924	1.5
239.03244	0.8
255.02974	60.2
256.03333	5.5
257.04453	2.3
283.02469	100.0
284.03177	43.3
285.04004	31.9
285.09048	0.9
286.04327	3.8
321.15527	5.7
386.29135	0.8
430.08978	22.1
431.09732	5.0
432.09692	0.9
560.14178	1.0
563.14032	97.0
564.06018	0.6
564.14313	14.7
709.19836	42.8
710.19818	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	708.433
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27207	0.5
59.20783	0.5
61.98831	100.0
64.43053	0.5
71.43394	0.9
71.45995	0.4
77.00974	0.5
80.96533	1.5
85.54897	0.5
99.04753	0.5
145.77641	0.5
277.21692	0.6
279.23224	0.8
402.44266	0.6
444.58856	0.6
513.98108	0.6
527.84668	0.5
709.39069	1.1
710.94415	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.1617
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	1.0
60.99305	18.4
61.98822	0.7
62.60534	0.3
69.34524	0.5
69.34862	2.6
71.01382	0.5
71.09337	0.3
72.99293	0.5
87.00868	0.3
88.98802	100.0
89.02439	0.4
89.99142	1.2
101.02439	0.3
111.56010	0.3
148.07671	0.4
238.07071	0.6
255.02814	0.7
283.02496	1.2
285.04053	1.3
303.91739	0.3
325.93369	0.3
431.09650	0.4
477.21384	0.3
563.14111	0.4
619.16803	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.4376
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	2.3
59.33979	0.4
60.20522	0.3
61.98831	0.9
71.01386	2.3
78.95892	0.5
85.02946	0.6
86.38772	0.4
87.00902	0.7
89.02437	1.9
98.20763	0.8
101.02444	1.7
113.02437	1.1
147.19691	0.4
152.99541	0.5
161.04556	0.9
167.14407	0.4
179.05659	0.4
182.03856	0.4
183.13905	6.0
193.12317	2.0
211.13388	100.0
212.13768	5.4
235.08209	1.4
253.09296	7.1
277.21713	56.5
278.22049	5.2
279.23276	4.2
280.23581	0.6
446.80344	0.4
447.22211	3.7
448.22559	0.5
453.15485	0.6
637.39307	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.4367
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	2.7
61.98833	1.3
69.03425	0.4
70.55635	0.9
71.01378	3.1
73.02932	0.7
78.95897	1.2
83.05047	0.6
85.02975	0.7
87.00896	0.7
89.02452	1.7
97.02954	0.5
99.67281	0.3
101.02425	1.8
113.02464	0.9
119.03494	0.8
129.41765	0.4
137.09746	0.4
137.17270	0.4
152.99568	1.1
161.04590	0.7
167.14420	0.8
179.05615	0.5
183.13922	6.7
183.15514	0.4
184.14238	0.4
193.12315	1.7
211.13390	100.0
212.13754	5.7
218.48956	0.4
221.07823	0.4
225.11407	0.4
235.08266	1.8
253.09293	7.7
259.20389	0.4
277.21707	58.9
278.22058	6.9
279.23288	1.5
425.09705	0.4
429.20929	0.9
447.22324	3.2
448.22760	0.5
453.14987	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.2778
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	6.5
61.98822	2.6
62.86192	0.6
69.03456	0.6
71.01377	3.4
71.55816	0.7
72.99313	3.4
73.02948	2.3
75.00875	1.3
81.34095	0.6
85.02933	0.8
87.00878	8.2
88.98782	0.9
89.02447	2.3
93.03464	1.0
96.96010	0.6
101.02460	1.8
105.01936	24.4
106.02327	0.6
107.03769	0.6
108.61492	0.5
113.02497	1.0
119.03498	1.0
119.05030	1.7
122.06100	1.5
125.02449	0.8
147.04535	1.0
152.07190	1.5
163.04073	1.0
186.09261	0.7
190.05193	0.8
195.08179	0.7
200.10880	0.7
202.08798	0.6
213.06714	2.5
214.07500	2.4
214.09160	0.7
215.08257	2.7
216.10559	1.0
227.11861	1.7
228.08969	0.8
229.09792	7.7
243.11385	10.0
244.08487	2.4
244.12135	4.6
245.09244	3.2
249.09277	0.6
255.07674	0.9
255.11366	4.1
256.08459	0.6
257.09305	28.9
258.09656	1.9
259.10861	12.1
260.11594	2.9
271.10950	0.6
272.11661	14.4
273.02438	0.9
273.12332	2.8
275.10373	13.8
276.10693	1.2
287.10275	1.4
288.11084	2.1
290.12735	9.8
298.31961	0.5
299.10428	0.5
303.09772	0.7
311.09406	3.0
316.10608	4.1
317.11206	0.9
331.12970	10.0
332.13348	1.2
334.11740	6.1
344.48160	0.6
349.14035	100.0
350.14362	9.2
355.12933	2.3
399.10837	1.4
400.11063	0.6
487.12448	2.8
555.22467	0.6
597.23499	1.2
619.87457	0.5
629.26611	2.8
637.85272	0.6
705.38354	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.37
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18851	1.2
52.57012	1.1
53.93716	1.1
57.07443	1.2
59.01382	11.6
60.72972	1.3
61.98830	75.6
71.01389	9.5
71.55268	1.8
72.99296	1.9
73.02950	2.9
78.95935	1.2
80.02624	1.9
82.24638	1.6
83.01388	1.9
83.05021	6.5
84.02151	1.2
87.00882	2.1
89.02431	4.7
89.93581	1.2
91.11602	1.6
96.95989	3.0
101.02426	5.5
113.02440	3.2
147.04501	1.5
161.04541	3.2
163.11299	6.4
165.12860	10.1
174.32121	1.6
177.64104	1.3
181.12311	2.3
183.13895	91.5
184.14278	4.3
208.21326	1.3
209.11824	97.2
210.12210	6.3
223.08414	1.4
227.12895	15.1
235.08249	2.8
253.09254	8.0
277.21768	1.6
295.09335	1.5
394.58063	1.4
408.32925	1.3
463.21841	3.9
501.32147	3.3
655.33746	2.3
673.34357	100.0
674.34692	17.1
705.37939	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	707.293
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	10.0
61.98826	3.2
69.03423	1.0
69.20801	10.7
71.01373	2.3
72.99299	1.6
80.05062	9.5
82.02981	1.8
83.01370	1.4
85.02965	1.5
87.00889	1.4
89.02413	1.6
94.02982	19.1
94.06608	3.5
96.96024	1.3
100.06367	1.0
101.02455	1.3
102.38200	1.1
102.90681	1.0
103.64733	1.1
104.05062	4.1
106.06603	3.2
107.03763	5.5
108.04558	2.7
113.02436	1.4
120.04520	1.1
121.69343	1.0
122.06116	36.6
124.03997	2.3
130.06631	1.3
132.04518	2.1
134.06122	10.2
136.03993	2.9
138.05615	6.6
139.02742	2.1
146.06133	1.7
147.05618	2.1
148.04027	2.5
150.05626	7.0
152.07166	62.4
153.07472	3.3
160.04042	1.8
172.11372	1.8
174.05566	3.6
175.05006	1.4
180.06645	2.4
181.29091	1.1
188.07144	4.1
190.05083	2.7
201.10245	8.8
211.08698	1.8
213.10313	5.9
214.10793	1.7
215.11856	1.6
223.08797	1.3
225.10316	4.7
226.11018	1.1
227.11870	4.0
229.09775	8.7
229.13409	3.6
237.10289	3.3
239.11888	5.5
241.09880	2.1
242.10065	1.1
243.11435	1.4
245.12924	10.4
247.10857	1.5
250.07504	2.0
251.08171	2.7
251.11775	1.2
252.08911	1.9
253.09743	3.8
255.11365	7.1
257.12860	3.5
259.10730	2.0
263.08215	2.1
265.06122	1.4
265.09766	8.3
266.10287	1.3
267.11273	5.8
272.76566	1.3
273.12335	5.0
277.09949	2.3
278.06873	3.9
278.10434	3.4
279.07642	7.0
279.11298	3.5
281.09305	1.4
281.12659	1.3
289.12146	1.8
291.07928	2.1
291.11197	2.3
292.08313	1.3
293.09332	16.4
294.09854	4.9
295.10834	10.2
296.11139	1.6
297.12643	1.7
301.11893	15.5
302.12137	1.4
306.09891	2.0
307.10779	4.1
309.12418	5.7
313.12006	5.7
318.26025	1.3
319.12979	37.3
320.13254	4.2
323.10306	6.0
325.11725	2.2
327.13467	2.7
332.13699	1.7
337.08261	8.7
338.08588	2.0
339.09720	2.7
355.12897	2.8
358.11963	1.4
360.13687	1.9
373.14087	1.6
374.15063	7.8
386.15268	2.1
390.17874	1.3
391.15408	1.7
392.15958	4.3
393.16379	1.5
398.15091	2.0
401.13232	1.2
403.15085	1.4
416.16180	6.0
417.16733	3.0
431.18494	1.5
432.19193	1.5
434.16879	3.9
443.18851	1.3
458.17123	2.3
459.17737	3.7
460.18732	5.4
474.20383	2.8
476.18033	4.1
478.19650	1.9
492.21170	1.8
503.16614	2.4
504.17798	11.5
505.17761	2.2
518.19098	14.7
519.19702	3.2
539.22882	7.0
540.23407	1.8
550.21942	15.4
551.21796	3.3
557.23969	7.0
558.24927	1.6
563.22430	1.4
571.25446	3.0
581.24133	8.4
582.24609	1.6
583.21967	8.1
599.25085	43.2
600.25476	8.7
602.23663	1.5
615.24573	6.8
625.22845	4.5
631.27960	5.8
632.28162	1.6
643.24036	46.0
644.24023	8.8
647.27045	2.3
657.25690	10.2
658.26056	2.4
675.26654	100.0
676.26935	24.9
689.27960	2.9
707.29218	15.7
707.40497	1.2
708.29535	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	705.2777
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06371	0.9
56.34952	0.8
59.01377	10.4
61.98823	9.5
64.74124	0.7
68.99799	1.2
69.03461	0.9
69.17046	0.9
69.27743	4.9
69.28162	2.6
71.01398	4.1
72.99308	2.3
73.02949	2.0
83.01427	1.0
85.02934	1.9
87.00878	7.3
88.98769	2.3
89.02439	1.6
89.47696	0.8
93.03480	1.0
94.02983	16.9
94.06625	5.1
99.00879	1.3
101.02454	1.9
102.27231	0.8
105.01928	11.3
106.06590	1.1
107.03777	12.2
108.04558	1.2
110.09746	0.8
113.02435	2.3
119.05064	1.2
120.04601	1.8
122.06123	60.8
123.06468	1.6
124.07681	1.0
127.00380	1.1
134.06113	7.7
136.04065	0.9
138.05623	4.4
139.00435	1.0
139.02756	5.7
147.04523	1.3
150.05585	3.3
152.07175	86.5
153.07491	3.4
158.05994	0.9
163.04076	0.8
167.95464	0.8
173.00740	0.9
175.02332	1.0
177.37148	0.9
186.05513	2.1
211.02484	0.9
225.10333	2.5
235.08722	2.2
237.10292	4.0
247.08763	0.9
249.06673	1.0
249.10399	2.0
250.07523	5.4
251.08112	1.5
262.07584	1.3
263.08218	7.2
264.08823	1.7
265.09790	15.4
266.10294	1.5
267.11185	2.8
275.08212	1.4
276.08932	1.3
277.09814	8.1
278.07019	10.3
278.10135	1.4
279.07510	2.0
290.06912	1.0
291.07739	4.3
292.08487	2.2
293.09323	53.4
294.09711	4.0
295.09738	2.3
305.09329	18.2
306.09875	3.0
308.07947	1.0
311.09250	5.9
313.09546	0.9
314.00537	0.8
325.11957	1.4
337.08194	3.7
370.11957	1.1
372.13242	1.9
386.15039	3.0
399.11343	1.4
402.14325	1.0
404.16425	1.2
412.12628	1.0
414.14508	3.3
415.14948	1.0
417.12390	1.2
426.14377	2.2
428.16006	3.5
429.16925	1.8
430.17761	7.2
431.18130	1.1
432.15591	10.4
433.15530	1.0
444.15530	6.3
445.16183	1.3
456.15820	0.9
457.16339	3.4
458.17142	25.8
459.17517	3.0
464.18042	1.7
470.65863	0.9
472.19061	3.9
474.16592	1.0
476.18295	0.9
484.15082	2.0
487.12411	3.4
490.19778	4.4
502.16174	39.1
503.16656	5.4
504.21448	6.2
505.21744	2.2
516.17645	1.3
517.18359	7.9
518.18536	1.5
534.18750	8.7
535.62787	1.1
537.21307	1.4
548.20575	4.1
549.21014	5.7
550.21930	1.2
567.23022	1.0
569.23639	3.3
579.22192	1.3
585.32654	1.1
597.23553	36.0
598.23816	5.8
629.26074	20.9
630.26300	2.8
641.22540	13.2
642.23077	2.3
643.56830	0.9
655.24646	0.9
661.27972	4.2
669.41089	1.1
673.25098	100.0
674.25372	20.4
700.27509	0.8
705.27307	22.7
706.27954	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	703.3833
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98823	100.0
63.61240	19.2
65.56855	18.9
66.47414	17.0
78.95900	46.1
80.50651	17.7
92.20590	19.0
94.96503	16.9
95.32226	17.4
99.00940	20.6
167.90077	18.8
171.10181	31.5
229.36014	20.7
255.23380	55.3
277.21741	26.8
547.60022	19.5
593.83862	18.9
680.17798	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	703.383
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98529	30.8
58.88095	31.7
61.98814	100.0
72.77870	26.5
78.95865	30.1
125.04295	31.5
174.58014	26.1
422.38376	30.2
503.35922	34.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.221
Annotation	Unknow
Peak:m/z	Relative Intensity
57.72924	0.1
59.01379	2.4
60.01713	0.2
61.98830	100.0
62.98530	0.2
97.98506	0.1
102.23689	0.1
148.58546	0.1
266.13409	0.1
266.27985	0.1
277.21793	0.1
415.99207	0.1
432.54752	0.1
482.15851	0.2
483.15582	0.3
484.15570	0.6
498.17392	0.2
500.19067	0.1
543.17053	0.2
555.19031	0.1
556.19757	0.2
557.18933	0.5
558.19122	1.4
574.15851	0.1
575.15948	0.2
589.17700	0.1
643.22943	0.2
644.23138	0.7
704.23840	2.3
705.23920	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.2213
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.4
61.98830	100.0
62.98545	0.2
66.03431	0.1
66.74329	0.1
69.50941	0.5
69.51358	0.2
72.36226	0.1
78.95920	0.1
98.72915	0.1
164.32492	0.1
209.11839	1.0
237.66196	0.1
245.89153	0.1
277.21790	0.7
321.92688	0.1
483.15509	0.2
484.15717	0.3
498.17679	0.2
557.19153	0.4
558.19135	0.9
575.16156	0.2
641.22748	0.2
643.23114	0.1
644.23102	0.5
704.23376	1.8
705.23541	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.35
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25214	0.2
55.72420	0.2
59.01377	0.3
59.38637	0.2
61.98830	100.0
62.98523	0.2
70.02460	0.7
89.85812	0.2
135.94238	0.2
141.29315	0.2
142.08118	0.2
211.13554	0.3
268.68027	0.2
347.16095	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.261
Annotation	Unknow
Peak:m/z	Relative Intensity
54.72756	0.5
55.01881	0.9
57.03450	0.7
58.00599	0.9
59.01379	100.0
60.01722	1.1
61.98827	1.1
69.03461	2.1
70.70956	0.5
71.01380	35.7
71.55712	0.7
72.01736	0.9
72.99326	1.9
73.02946	44.4
74.03320	1.0
75.00884	1.4
79.45411	0.5
81.03479	0.8
83.01389	14.4
84.02155	0.5
85.02963	8.2
87.00874	2.0
89.02448	14.2
89.03001	0.8
95.01405	2.2
97.02948	1.1
97.06576	0.5
99.00899	1.1
101.02441	47.2
102.02802	1.0
102.69237	0.5
105.01951	4.1
106.61975	0.5
113.02449	22.9
119.03519	7.0
119.05042	2.1
125.02459	2.6
127.00338	0.8
131.03502	5.2
143.03490	5.7
147.03044	0.7
147.04477	0.6
149.04547	6.6
155.03546	1.0
161.04555	13.5
163.04074	0.8
165.05569	0.5
179.05624	1.2
203.05673	1.9
221.06708	1.9
223.73468	0.5
243.73825	0.5
311.09280	1.7
399.10934	1.4
487.12347	0.7
705.37274	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.188
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11599	0.2
54.10143	0.2
55.01865	0.3
57.03448	0.3
59.01383	4.2
61.98830	4.2
67.01876	0.2
68.99816	0.5
69.03448	0.9
71.01380	3.4
72.99310	5.7
73.02950	0.9
74.21802	0.2
75.00877	2.0
75.08341	0.2
76.79349	0.2
81.03459	0.3
83.01385	1.3
85.02943	1.2
87.00874	2.2
88.37971	0.2
88.98267	0.2
88.98825	0.2
89.02450	1.6
93.03445	0.2
95.01388	0.4
96.59957	0.2
96.96008	0.4
97.02947	0.6
99.00891	1.0
101.01853	0.3
101.02448	1.4
103.00378	0.3
103.05569	0.5
105.01936	100.0
106.02280	1.7
109.02940	0.4
111.00880	1.6
112.98793	0.5
113.02441	1.5
115.00390	0.4
115.05544	0.7
119.03482	0.5
119.05042	0.6
121.02929	0.3
122.06123	0.6
123.00932	0.3
125.02425	0.7
127.00383	2.6
129.01936	0.7
135.03015	0.6
137.02435	0.6
139.00359	1.2
139.03987	0.4
141.01964	0.4
147.04527	7.8
150.05559	0.3
151.00351	0.3
151.07631	0.3
152.07129	0.4
153.01978	0.3
154.99872	0.4
157.01440	0.8
161.04518	0.3
165.01942	0.8
169.01468	0.4
175.02477	0.7
179.05603	0.2
181.01480	0.2
183.02965	0.9
185.00906	0.5
185.86095	0.2
201.11290	0.3
201.61006	0.2
205.10265	0.4
207.11769	1.0
211.02458	2.2
233.09639	1.1
251.10805	2.0
277.08771	0.6
283.15451	0.7
292.56155	0.2
295.09756	10.0
296.10181	1.0
311.09097	0.3
354.12881	0.2
383.11383	2.9
384.11597	0.3
419.23038	0.4
456.15833	0.5
592.72607	0.2
595.22034	1.2
597.23682	0.3
599.30145	0.4
617.31403	0.5
627.24585	0.5
671.23743	0.7
682.75574	0.2
703.37811	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.188
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39607	0.2
55.01868	0.2
57.03432	0.2
59.01375	3.0
61.98831	1.8
67.01881	0.2
68.99822	0.7
69.03456	0.3
71.01384	2.0
71.16840	0.2
71.31695	0.4
72.99313	5.0
73.02940	0.6
74.42049	0.2
75.00875	1.8
80.98059	0.2
83.01382	0.9
85.02947	0.8
87.00886	2.0
89.02429	0.5
95.01385	0.4
96.99302	0.5
97.02956	0.5
99.00883	0.7
101.02453	1.0
103.05537	0.5
105.01936	100.0
106.02263	1.6
109.02953	0.5
111.00890	1.3
112.98851	0.5
113.02461	1.2
115.00344	0.3
115.05538	0.9
119.05045	0.4
121.02946	0.2
125.02435	0.8
127.00364	1.8
129.01959	0.4
133.52029	0.2
137.02435	0.7
139.00374	1.0
147.04533	7.6
148.04910	0.5
153.01923	0.4
154.99930	0.3
155.03458	0.2
157.01390	1.0
159.09395	0.3
165.01920	0.9
169.01468	0.3
175.02496	0.9
183.02989	1.1
187.88387	0.2
197.11882	0.3
205.10143	0.5
207.11836	0.8
211.02501	2.8
214.03862	0.2
229.03349	0.3
233.09802	1.6
234.09987	0.2
251.10812	1.6
252.11340	0.3
269.03149	0.4
277.08719	0.5
283.15573	0.3
295.09735	12.4
296.10016	1.2
378.29575	0.2
383.11322	3.0
384.11807	0.3
421.24524	1.3
433.94623	0.3
602.31781	0.3
703.32367	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.2466
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86238	0.7
59.01381	100.0
61.98832	2.2
69.95615	3.1
87.27470	0.7
121.02959	2.4
209.04593	1.8
254.19603	0.8
388.95480	0.8
437.12653	1.1
438.13330	5.7
451.14490	0.8
452.14908	2.1
453.15512	1.4
467.02020	0.8
467.13925	0.9
480.15085	1.3
481.15198	45.4
482.15656	9.1
495.16763	10.8
496.17166	3.7
497.18243	4.7
498.18900	0.9
514.14697	2.2
515.14935	1.0
523.16113	1.2
525.14294	1.2
539.15637	3.6
540.16504	9.5
541.16620	2.7
554.17883	3.6
555.18854	79.9
556.19000	18.4
567.18524	3.3
568.19623	1.7
569.20331	2.0
572.15607	21.7
573.15723	5.2
586.17120	6.0
587.17261	1.9
599.21539	1.4
609.20526	1.8
627.20801	1.9
641.22626	34.7
642.22778	9.6
658.19214	1.5
701.24615	63.4
702.25000	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	701.2832
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73575	2.1
52.50655	2.4
59.01376	5.4
61.98826	13.6
65.99839	5.6
71.10223	5.1
82.02975	11.4
83.73773	2.8
94.73460	2.1
101.02425	3.0
103.07095	2.7
136.00511	2.6
136.04085	3.8
152.03563	19.9
153.90063	2.7
194.08202	6.3
212.05629	2.5
235.08365	3.5
237.13828	2.9
255.23300	6.8
256.23651	3.8
265.13260	2.4
268.08630	3.0
330.60214	2.4
370.11942	3.1
397.13339	4.5
398.13684	3.8
399.13852	2.4
406.44479	2.5
490.13220	2.5
490.20428	2.8
641.25757	5.2
651.24475	42.4
652.24866	9.4
661.67035	2.4
669.25769	5.2
701.28259	100.0
702.28571	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	701.4478
Annotation	Kulomo'opunalide-2
Peak:m/z	Relative Intensity
59.01381	4.0
61.98822	2.6
64.23605	0.6
68.08051	0.7
71.01379	3.6
71.46601	1.1
73.02940	1.4
77.21764	0.6
85.02962	0.7
89.02449	2.2
101.02434	4.1
111.08158	1.0
113.02448	1.8
119.03462	0.7
120.30331	0.7
135.43141	0.6
137.40129	0.7
165.12814	7.9
183.13887	53.3
184.14217	2.3
209.11803	2.8
227.12871	2.9
235.08168	2.3
253.09270	4.8
255.23282	100.0
256.23660	7.3
445.21024	0.9
450.81989	0.7
652.45807	0.8
701.44769	62.7
702.44977	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	702.3346
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01674	0.4
59.01379	1.0
61.98829	100.0
69.26694	2.7
69.27100	0.6
71.01377	0.5
75.41197	0.3
76.20087	0.4
78.60605	0.4
78.81236	0.4
87.94328	0.4
89.02448	0.4
101.10100	0.4
105.01935	0.4
145.84940	0.4
181.08032	0.4
205.10840	0.4
408.82227	0.4
482.70642	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.1909
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00592	2.8
59.01377	40.0
69.03452	1.7
70.02383	1.3
70.97884	1.3
70.98664	3.5
71.01383	36.7
72.99318	3.4
73.02959	5.2
83.01381	1.8
85.02942	7.4
87.00882	14.3
89.02444	55.1
95.01383	2.4
97.02956	3.7
101.02439	35.7
101.98058	1.2
108.90195	1.5
110.89980	2.0
113.02433	16.7
119.03487	10.6
125.02451	4.8
130.88931	2.1
131.03569	1.8
143.03525	9.1
146.02580	1.3
146.86662	1.6
148.86351	1.6
151.54216	1.3
155.48492	1.5
161.04575	9.5
167.51497	1.4
179.04123	2.6
179.05615	33.0
179.07204	2.0
182.87460	1.3
203.05632	2.5
208.64337	1.3
221.06660	10.6
281.08859	2.0
281.67386	1.4
296.03107	1.6
323.09824	3.3
341.10892	24.7
383.11908	58.7
384.12195	4.2
413.13190	2.2
425.13187	1.8
443.13834	13.6
485.15158	10.3
503.16034	4.5
539.13959	5.1
545.17126	2.3
665.21436	100.0
666.21912	12.6
701.19012	34.9
702.19647	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	701.2466
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
69.39591	4.8
69.40031	4.8
70.71603	1.2
71.59658	1.4
98.19904	2.5
104.37949	1.3
111.25374	1.3
133.74658	1.2
147.88278	1.2
160.57227	1.1
165.00462	1.1
220.57776	1.1
235.15137	1.3
269.39682	1.4
278.00726	1.4
304.13989	1.1
354.47107	1.2
438.13361	4.0
439.13428	1.4
452.15082	2.9
481.15186	33.5
482.15353	9.0
495.16745	11.9
496.17117	3.3
497.18582	6.3
498.19122	1.6
514.15167	2.7
539.15930	1.8
540.16504	9.2
541.16510	3.7
554.17969	2.6
555.18854	62.7
556.19055	14.4
572.15472	14.8
573.15375	3.6
586.16956	8.2
587.17102	1.4
609.19641	1.7
627.20984	2.0
641.22552	30.0
642.22644	7.7
701.24628	60.8
702.25031	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	699.3807
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86287	3.7
55.01902	3.8
59.01378	37.9
61.07854	3.4
61.98828	18.9
70.00172	9.7
70.00563	9.0
71.01373	33.0
73.02940	6.0
78.95911	6.7
79.82007	3.6
83.01417	6.0
87.00835	6.7
89.02456	29.4
90.42297	4.5
97.02934	5.1
101.02473	19.0
113.02477	9.6
113.94681	3.8
114.88821	4.4
119.03588	7.1
120.59715	3.4
125.02428	11.0
156.76132	4.3
174.00250	4.3
179.05652	5.4
209.11786	5.3
211.13324	8.6
235.08290	11.9
239.92538	4.7
241.21744	76.3
242.22046	8.0
253.09293	5.3
255.23228	4.6
305.08926	5.0
397.13483	100.0
398.13669	6.4
415.14395	24.8
447.19318	4.7
599.02142	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	700.1526
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65071	1.1
59.01381	7.4
61.98832	100.0
65.94853	0.8
71.55060	1.3
85.74781	0.9
98.09034	0.8
155.55460	1.0
176.74643	0.9
195.75880	0.8
218.70518	0.8
232.78262	0.9
236.09152	1.0
268.61316	0.9
269.20978	1.0
470.50742	1.0
475.96082	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	698.2863
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	2.5
60.01720	0.4
61.01813	0.4
61.98831	100.0
62.92107	0.3
65.22366	0.3
68.27209	0.3
74.75454	0.3
78.95914	1.0
98.19864	0.9
126.15976	0.4
278.58878	0.3
280.12531	0.3
404.67715	0.3
422.29291	0.3
489.90692	0.3
698.32208	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.2142
Annotation	Unknow
Peak:m/z	Relative Intensity
55.36843	0.5
59.01374	1.7
61.98820	1.4
69.26822	4.9
71.01379	2.1
73.02972	0.8
73.47844	0.5
74.26291	0.5
75.00867	1.3
85.91811	0.6
86.29648	0.5
89.02415	0.9
93.03460	2.3
95.47616	0.5
101.02552	0.5
109.02968	0.6
111.00886	0.7
113.02414	0.7
116.92864	0.6
117.01911	1.1
121.02965	6.2
122.03757	6.8
133.02975	0.7
134.03732	1.4
135.02989	0.6
135.04507	3.2
136.01654	1.0
137.02473	1.1
147.04465	1.1
149.02440	41.5
150.03227	49.0
151.03857	2.9
152.01154	7.0
158.08238	0.7
163.04041	5.6
164.04790	26.8
165.01875	1.9
165.05569	57.9
166.05885	2.5
167.03569	1.3
169.05043	2.2
175.00368	0.6
179.07118	8.2
180.04277	4.0
180.07372	0.8
181.04852	0.7
193.01421	16.7
194.01794	0.6
195.06624	28.2
196.06972	1.7
205.04919	0.7
206.06012	0.6
207.02994	0.8
208.03757	40.6
209.04089	1.8
221.08084	0.7
223.06102	100.0
224.06480	6.4
237.05577	1.0
256.96066	0.7
265.07135	2.0
280.07419	1.1
312.10034	1.5
327.12341	0.8
345.13354	0.7
371.11365	6.3
372.11389	0.6
419.13470	48.2
420.13794	5.5
537.16132	5.0
538.16974	0.7
557.20319	0.6
579.17548	0.6
581.18579	12.4
582.18945	2.2
699.21332	28.1
700.21765	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	699.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13978	0.7
57.32721	0.7
59.01379	6.8
60.74144	0.6
60.99449	0.6
69.31466	1.3
69.31877	4.2
71.01384	7.6
73.02969	1.3
75.00865	1.2
85.02936	0.9
89.02464	6.1
93.03490	0.8
101.02436	2.8
109.02943	1.2
113.02431	1.9
117.01939	1.8
119.03501	2.9
121.02921	2.2
122.03696	1.2
133.02953	1.4
134.03740	51.1
135.04118	2.3
137.02451	11.9
137.25618	0.7
139.03993	2.0
149.02412	6.5
149.06071	14.8
150.03232	8.8
150.06400	0.9
151.04010	1.6
152.01173	1.0
160.01654	1.0
161.04504	1.2
161.08099	1.0
162.03241	2.1
163.03986	1.4
164.04785	4.1
165.01930	37.6
165.05545	9.8
166.02365	1.1
166.05809	0.9
175.03990	1.1
176.04811	1.1
177.05576	2.1
178.02701	30.0
179.03436	6.7
179.05547	1.9
179.07115	1.1
180.04268	25.4
181.04907	1.7
182.03836	0.7
193.01387	2.3
193.05042	100.0
194.05435	6.3
195.06619	36.7
196.06950	1.4
208.03743	6.1
210.05254	5.7
211.05936	0.9
223.06087	12.3
224.06416	1.2
225.07675	23.4
226.07907	1.2
235.06111	2.3
237.05562	1.2
269.07974	1.1
280.00931	0.8
286.63577	0.7
293.06497	1.0
297.07648	2.8
301.53610	0.7
312.10007	3.7
349.18726	2.7
356.09116	1.4
371.11215	10.0
372.11688	1.0
419.13437	34.1
420.13895	4.2
461.14334	1.5
537.16058	13.6
538.16394	2.2
551.17493	1.8
579.17261	1.6
581.18396	4.7
582.19110	0.9
590.69067	0.8
608.80939	0.9
622.43042	0.7
699.21332	18.4
700.21832	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	697.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
54.73509	0.3
59.01380	100.0
60.01703	1.6
61.98835	1.4
68.74918	0.3
69.89838	1.1
69.90251	0.5
82.11618	0.3
121.02967	1.9
126.07649	0.3
169.01541	0.4
170.57076	0.3
191.03534	0.6
209.04526	1.3
401.08890	0.5
469.55420	0.4
593.13354	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.2501
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25565	0.1
59.01379	1.1
61.41452	0.1
61.98832	2.0
62.35242	0.1
66.93130	0.1
70.85738	0.3
70.86076	0.2
71.01382	0.2
72.43839	0.2
72.60289	0.1
77.03973	0.3
77.23438	0.2
85.02933	0.2
89.02441	0.2
93.03473	0.2
96.96004	0.2
97.99953	0.2
109.02955	0.3
113.02491	0.1
114.35828	0.2
121.02956	100.0
122.03299	3.4
137.02438	0.7
147.04520	0.1
151.00298	0.2
151.03986	0.2
152.01160	0.2
159.04396	0.2
165.01952	0.2
166.02771	0.4
171.81534	0.1
181.05116	0.4
187.03941	0.2
205.05084	0.3
235.09760	0.2
295.09875	0.3
327.09763	0.2
341.10214	1.5
342.10965	0.2
356.12567	1.2
371.14948	5.5
372.15155	0.6
463.13794	0.3
469.28488	0.2
478.15875	0.3
493.18661	19.4
494.12241	0.2
494.19000	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	697.3206
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	43.5
61.98825	52.2
64.45556	12.7
66.91982	11.9
71.01395	19.6
71.54576	20.1
89.02467	20.2
94.40897	13.8
95.65028	13.1
101.02458	21.1
116.92820	19.1
121.03283	11.0
157.54878	12.0
171.10245	12.9
263.20114	39.4
397.13470	100.0
415.14691	21.9
417.66525	12.5
697.31818	28.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	698.1576
Annotation	Unknow
Peak:m/z	Relative Intensity
57.95022	0.6
59.01373	1.8
60.77636	0.6
61.98830	18.2
69.37798	5.0
71.01347	1.0
71.17091	0.6
89.02473	0.8
98.20772	0.8
109.02979	0.9
119.05013	0.8
121.15536	0.6
142.41785	0.6
151.00388	3.4
178.99844	0.9
183.04607	0.6
187.04045	0.9
199.03987	1.9
201.05560	0.7
211.04008	1.2
215.03447	1.1
227.03438	2.7
229.05029	0.9
243.02942	2.8
255.02963	3.8
256.03357	0.8
271.02484	38.7
272.02844	2.9
299.01968	77.7
300.02551	11.5
301.03522	42.2
302.03751	3.2
311.09283	0.7
446.08517	21.5
447.09241	8.6
448.09982	1.0
457.64297	0.7
489.10388	4.9
635.16156	100.0
636.16589	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	696.178
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	5.5
61.98831	77.3
69.03428	1.0
69.45331	0.7
69.92279	2.4
69.92687	1.3
71.01379	3.5
72.99310	1.5
73.02934	0.8
78.88477	0.7
83.01382	0.8
83.20777	1.0
85.02954	1.3
87.00881	3.1
88.98825	1.0
89.02433	1.3
96.96008	2.3
96.98837	0.6
96.99326	5.5
99.00878	1.6
99.92595	0.8
101.02435	2.1
109.02995	1.1
109.12027	0.8
111.00861	2.1
113.02426	0.8
115.05518	2.7
116.92829	1.0
122.43401	0.8
125.02440	0.8
127.00379	3.3
129.01865	1.2
139.00392	2.9
141.01952	1.3
147.04523	7.7
153.01930	1.3
157.01402	2.6
165.01976	0.8
183.02979	0.9
199.92696	0.8
205.10167	1.9
207.11821	1.1
211.02444	6.1
233.07417	1.4
233.09708	18.4
234.10046	1.4
248.89893	0.7
251.10736	1.1
259.38580	0.7
277.08688	4.5
278.08978	1.1
295.09741	100.0
296.10089	10.2
301.05597	0.8
319.06638	1.0
350.88980	0.9
453.11789	1.6
507.12979	2.0
565.13458	3.4
597.16132	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	695.3119
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48710	0.3
59.01380	100.0
60.01718	0.9
60.62402	0.2
61.98833	0.8
70.28064	0.5
70.28464	0.6
78.95905	14.1
87.97874	0.3
90.55772	0.3
110.20050	0.3
118.76703	0.2
149.00111	0.8
169.51285	0.3
192.50734	0.3
204.69934	0.3
205.15909	1.3
412.12994	0.3
427.18591	0.4
447.13428	0.7
653.30402	0.5
695.31183	50.2
696.31458	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	696.1781
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	5.4
61.98831	73.6
68.99829	0.6
69.03455	0.6
71.00317	0.4
71.01380	3.3
72.99326	2.5
73.02944	1.0
75.00835	0.6
79.67537	0.6
79.71383	0.5
81.03515	0.5
83.01374	1.1
85.02944	1.2
87.00877	3.5
89.02435	1.0
93.03428	0.7
95.01411	1.0
96.85629	0.6
96.96026	1.7
96.99313	4.6
97.02970	0.7
99.00906	1.0
99.92597	0.6
101.02467	1.8
111.00880	1.6
113.02461	1.6
115.05556	2.9
117.00120	0.5
123.00895	0.6
125.02448	0.9
127.00378	3.9
129.01926	0.7
139.00397	2.1
141.01936	0.7
147.04512	7.7
153.01939	0.8
154.99913	0.7
157.01399	2.5
165.01953	1.1
181.01375	0.6
183.02940	0.9
205.10172	1.5
207.11800	1.1
211.02464	6.5
229.03648	0.6
233.09698	15.3
234.10068	1.3
251.10722	1.5
277.08737	5.4
287.04095	0.9
295.09747	100.0
296.10074	11.4
312.58389	0.6
453.11847	1.5
507.12839	1.2
565.13513	4.7
597.15839	2.8
696.39600	0.7
697.36194	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.2198
Annotation	Unknow
Peak:m/z	Relative Intensity
55.09404	0.2
59.00938	0.3
59.01379	15.0
61.98831	100.0
65.62067	0.2
67.24027	0.2
69.47131	1.7
71.01389	0.5
72.99341	0.2
73.02946	0.5
85.02962	0.3
87.00945	0.3
90.82938	0.3
92.58508	0.2
95.57764	0.3
101.02465	0.5
113.02421	0.2
122.54282	0.2
145.41188	0.2
157.52306	0.2
205.08528	0.3
214.26138	0.2
251.97719	0.2
389.03284	0.2
405.03851	0.2
469.17566	0.4
578.22003	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.1829
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	2.3
61.98822	0.8
63.02404	0.6
65.00337	0.7
68.86554	0.4
69.98385	0.6
71.01377	2.2
72.99309	1.1
73.02973	0.7
83.01398	0.8
87.00871	0.9
89.02447	0.9
93.03476	0.7
98.20688	0.8
101.02460	1.0
107.01422	0.8
112.54192	0.5
113.02405	0.8
117.03526	0.6
121.02947	0.6
130.14534	0.5
134.03711	1.0
134.50366	0.5
135.02975	1.0
150.03291	0.6
151.00351	2.5
159.04558	0.6
165.01932	0.6
165.04015	0.6
165.05540	0.5
169.06566	1.3
178.02736	0.9
178.99750	0.7
179.05527	0.6
183.04546	2.1
185.06055	1.3
187.04099	0.7
189.05583	1.2
193.05092	2.4
195.06644	0.7
211.03989	1.5
213.05577	1.3
214.02678	0.8
215.03502	0.8
227.03505	10.4
228.03969	0.5
229.05087	1.4
229.47855	0.6
239.03432	0.9
243.02988	0.9
255.02983	45.3
256.03461	5.0
257.04401	1.6
265.64423	0.5
271.02533	0.6
283.02481	71.1
283.99896	0.9
284.03204	36.5
285.04016	38.5
286.04388	3.4
299.01874	0.9
335.12210	0.6
430.09067	11.2
431.09555	4.1
490.53580	0.6
549.12494	100.0
550.04126	0.7
550.12830	13.8
610.88721	0.5
651.15033	0.7
695.18048	12.5
695.28882	1.0
696.17877	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	691.3819
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22559	2.8
59.88106	2.8
61.98828	4.1
71.54562	4.5
78.95905	43.4
81.03436	3.2
83.05022	8.9
98.66307	3.3
152.99574	68.8
163.11215	4.1
171.00642	9.2
175.18987	2.6
200.48071	3.4
209.11823	100.0
210.12132	4.4
227.03186	5.5
227.12988	16.9
244.34906	3.5
253.21750	22.1
277.21707	3.7
437.15723	5.4
455.10837	7.3
455.16861	89.4
456.17056	6.5
457.05603	3.2
691.38159	71.7
692.38818	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	689.3908
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	17.6
61.21004	0.7
61.98833	5.6
71.01376	8.6
72.99311	1.0
73.02939	3.4
78.89079	0.8
82.38611	0.9
83.01385	1.5
83.05036	1.4
85.02951	4.4
89.02424	1.6
96.96003	0.8
101.02442	4.6
113.02425	2.3
114.17894	0.9
136.15312	0.7
155.71988	0.9
161.04558	1.9
172.10408	0.8
209.11882	2.5
211.13301	1.5
291.19647	2.5
379.26724	0.8
398.07285	0.9
402.22702	1.1
411.32544	1.2
415.14709	1.2
437.30844	1.6
455.31647	19.7
456.31842	3.1
485.32657	3.4
487.30713	1.7
629.36951	18.4
630.37476	3.3
647.37946	14.1
648.38379	3.1
689.39044	100.0
690.39288	22.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.2059
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	0.8
61.98834	9.0
70.32204	0.5
73.02941	0.8
82.55895	0.5
95.99495	0.5
102.49409	0.4
110.93370	0.6
144.15501	0.5
151.40561	0.5
159.49298	0.5
198.25806	0.6
451.14200	0.8
452.15015	1.9
453.15417	0.7
469.11377	0.7
480.13995	0.8
481.14987	5.7
482.15524	1.4
484.14648	0.8
493.15216	0.7
494.15750	0.6
495.16803	12.4
496.16769	2.7
498.16821	1.0
507.16904	1.0
508.17493	1.6
509.17923	1.2
512.13391	1.0
523.16840	0.5
533.18494	0.6
535.16315	1.6
536.17249	2.0
539.16089	0.8
540.16742	2.8
551.19385	29.7
552.19739	8.8
553.18127	0.6
554.19354	2.5
555.18329	0.8
568.15509	0.9
572.15375	3.5
586.17163	2.8
595.18292	3.5
596.18494	0.9
627.20996	100.0
628.21198	28.6
630.21356	6.0
690.22638	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.2621
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20269	0.4
59.01377	3.8
61.98825	1.4
69.03448	0.8
69.18872	3.5
69.19279	0.9
71.01373	1.7
72.99311	1.0
73.02954	1.1
83.01393	0.7
83.05025	0.9
85.02943	0.5
87.00875	1.2
89.02442	0.8
94.02970	2.1
96.96002	1.2
98.02473	0.5
98.20656	0.9
99.00841	0.8
101.02428	0.7
105.01926	1.1
108.04565	2.1
113.02457	1.0
119.03492	0.5
119.04943	0.7
119.07307	0.4
120.04546	0.9
122.06121	9.6
124.04021	1.1
127.85570	0.4
131.26715	0.4
132.04544	1.8
134.06093	1.5
135.02977	0.5
135.06931	0.6
136.04053	4.2
136.07668	8.5
137.02461	0.4
137.07986	0.4
137.71375	0.4
138.05629	2.6
148.04021	0.5
149.46001	0.4
150.04428	0.7
150.05606	8.7
152.07173	3.3
169.41133	0.4
174.09241	0.8
176.03462	0.7
186.09248	3.2
187.11301	0.9
190.05093	1.4
200.10815	0.5
201.06534	1.9
201.11128	0.5
202.07303	2.1
202.09059	0.5
202.12326	1.6
205.09729	0.5
212.10736	1.4
214.07283	0.8
215.08119	2.6
216.08940	0.7
226.87410	0.4
227.08313	0.5
227.11836	0.5
227.99297	0.4
228.10301	2.5
229.09808	13.4
230.09987	0.7
230.12027	7.7
231.11998	0.8
239.08244	0.5
240.08940	1.2
243.11436	0.5
244.08417	0.8
244.12097	0.4
245.09323	5.3
245.12914	1.0
246.11343	0.6
255.11446	3.6
257.09314	7.7
258.10025	1.8
259.10846	1.1
272.11539	0.9
273.12430	19.4
274.12735	1.1
275.10434	2.6
290.12613	0.5
293.09222	0.8
294.10034	1.0
297.12265	0.5
299.10388	0.4
311.09320	1.1
317.11404	17.1
318.11713	1.1
325.12027	0.4
334.11722	1.2
335.12469	100.0
336.12790	9.4
349.14038	6.0
355.12936	2.0
399.10904	0.4
487.12512	1.1
494.15729	0.6
569.22882	0.4
615.25220	0.6
691.25500	0.6
691.36511	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.1723
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09018	0.7
55.01883	0.8
59.01147	0.7
59.01385	8.0
61.54477	0.7
61.98830	10.7
69.03436	0.8
71.01378	5.7
71.33270	0.7
71.55620	1.1
72.99313	10.9
73.02952	0.9
75.00886	2.3
83.01391	0.8
85.02941	1.2
87.00877	28.3
89.02463	1.6
94.70582	0.6
97.73769	0.6
99.00892	1.9
101.02441	1.1
105.01936	100.0
106.02287	1.8
111.00900	0.8
113.02415	1.2
115.00418	1.0
119.04974	0.9
125.02389	0.9
127.00436	1.0
142.99905	1.3
147.04517	10.1
157.01434	0.8
165.01871	1.1
165.38196	0.8
185.00883	0.7
207.11908	0.8
220.11958	0.8
225.11307	0.9
233.09657	1.7
251.10693	2.5
273.02454	1.6
277.08728	1.1
295.09756	15.6
296.10126	1.6
305.05344	0.9
343.04034	0.7
349.14310	0.9
383.11298	4.6
471.12939	12.3
472.13232	1.3
575.85950	1.0
657.14301	1.6
688.40271	1.0
689.31964	1.6
689.42291	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.3391
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60434	0.9
53.20028	0.9
55.01888	1.1
57.03458	1.6
59.01380	100.0
61.98833	5.9
69.03452	2.0
71.01385	26.9
72.99301	4.5
73.02937	6.9
75.00880	1.4
83.01385	4.0
85.02950	10.2
87.00872	3.8
87.04534	1.0
89.02449	15.3
95.01385	2.5
96.39664	1.0
96.96028	1.3
98.20688	2.1
99.00880	2.7
99.85323	0.9
101.02440	15.5
102.98630	1.2
105.01939	10.4
111.00851	2.3
113.02447	15.4
119.03477	5.3
125.02446	3.0
131.03531	1.0
135.03029	1.4
135.08160	1.6
143.03506	2.2
147.04549	1.8
150.06841	1.8
151.07500	1.4
161.04527	3.0
165.01953	1.2
179.05627	3.2
295.09714	2.9
311.09152	2.4
383.11356	2.2
441.29379	1.2
442.91830	1.1
493.29831	1.3
509.27451	1.4
585.32764	40.8
586.33020	6.7
603.33875	29.5
604.34082	5.0
645.34937	5.3
689.41772	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	688.2247
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	0.2
59.01383	1.3
60.45731	0.1
61.98830	100.0
68.77571	0.2
69.22734	0.8
69.23154	0.6
71.01392	0.8
72.99294	0.5
73.02958	0.3
75.00868	0.3
79.55152	0.2
83.01397	0.2
85.02972	0.4
87.00871	1.7
89.02460	0.4
89.62842	0.2
98.99780	0.2
101.02470	0.3
105.01941	2.0
109.18281	0.2
112.37142	0.2
113.02457	0.2
115.05541	0.3
139.04074	0.2
147.04543	0.5
151.07619	0.3
160.32381	0.2
165.01964	0.5
207.10414	0.2
209.11888	0.2
221.09567	0.2
233.09744	0.5
259.19189	0.3
265.14597	0.2
268.50897	0.2
283.15408	1.7
284.15860	0.4
295.09714	3.7
373.11081	0.2
374.11270	0.2
380.81461	0.2
383.11304	0.8
403.23447	0.2
421.24683	0.8
422.24579	0.3
471.13028	1.6
605.55396	0.2
687.39929	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.4195
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01048	0.8
61.98822	3.1
70.37083	0.8
78.95908	23.5
106.02794	0.9
122.00124	2.8
140.01199	8.5
152.99574	2.5
167.14410	35.8
168.14738	2.1
196.03810	8.1
211.13387	47.9
212.13725	2.2
221.85634	0.9
228.69810	0.9
229.14436	100.0
230.14743	6.2
272.18588	2.8
273.14172	0.8
279.23270	17.0
280.23752	1.1
339.10989	0.9
365.13971	0.9
404.54611	1.0
408.17953	8.7
426.17899	0.9
476.27832	2.9
514.36115	1.1
688.41919	51.8
689.42194	9.8
709.43042	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.3959
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	2.0
58.00582	1.0
59.01378	36.1
61.98819	4.1
69.03452	1.6
69.42074	5.2
69.42489	1.7
71.01381	17.0
72.99307	3.5
73.02947	9.1
83.01380	2.7
85.02954	6.2
87.00869	2.8
89.02447	15.7
95.01396	1.1
96.96017	0.8
97.06561	1.0
98.19891	1.5
101.02435	12.0
105.01933	3.4
111.00906	1.0
113.02447	10.3
119.03523	5.6
119.05010	1.6
123.04482	0.9
125.02491	0.9
131.03508	1.2
135.08134	2.6
137.02467	1.4
137.09647	0.9
143.03467	1.7
147.04417	1.2
149.04646	1.8
149.06067	5.2
150.06862	42.1
151.07222	3.1
157.12251	0.8
159.02834	0.9
161.04575	5.0
163.07632	9.6
164.08412	8.4
165.09119	1.0
175.02502	0.9
176.08466	1.2
177.09241	1.1
178.09993	2.3
179.05573	3.4
179.10779	22.0
180.11133	1.5
211.02493	0.9
213.89267	1.0
251.10837	1.3
295.09973	1.3
311.09341	2.1
342.56305	0.9
345.22955	4.2
451.30701	2.0
464.31320	4.8
479.33765	6.6
506.31650	1.3
507.32962	2.6
524.33453	3.3
525.34247	26.0
526.34729	4.1
535.77203	1.0
567.35962	1.1
583.31305	2.3
600.89740	1.0
601.32330	2.8
645.34778	0.9
687.39539	100.0
688.29126	1.6
688.40033	20.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.3958
Annotation	CHEBI:69613
Peak:m/z	Relative Intensity
55.01870	0.9
57.03447	1.0
59.01380	6.2
61.98827	3.4
65.66501	0.5
69.03459	0.9
69.75765	1.8
69.76173	1.0
70.68079	0.4
70.69961	0.5
71.01390	3.5
71.05019	0.6
72.99297	1.5
73.02944	3.5
83.01385	0.7
85.02946	1.8
87.00881	1.4
88.98801	0.7
89.02445	1.5
96.96016	0.7
97.02982	0.5
97.06584	0.8
97.86824	0.5
98.20625	0.8
99.00868	1.1
99.04513	0.9
101.02422	1.9
105.01943	2.1
113.02427	1.7
113.03145	0.5
119.03477	0.6
119.05002	0.8
123.04526	0.8
125.02438	0.9
135.08185	3.2
136.05270	0.7
137.06082	0.7
139.07632	0.6
149.06076	5.3
150.06860	49.6
151.07216	2.7
157.08810	0.6
161.09697	0.6
162.06841	1.3
163.07640	10.6
164.08409	11.1
165.05550	0.9
165.08885	1.1
171.10243	1.0
176.08461	0.7
177.09175	1.4
178.10031	1.3
179.10773	25.3
180.11053	1.5
201.11255	0.8
287.18655	1.9
296.05020	0.5
296.09814	0.6
297.20676	0.6
307.79575	0.6
311.09290	2.0
313.23862	0.7
315.21793	8.2
317.19495	0.6
327.18286	0.5
327.21719	3.7
345.22974	1.0
400.79990	0.5
436.28302	0.5
448.31903	1.7
450.30267	1.0
451.30688	3.8
463.34296	1.3
477.31934	2.3
479.33948	1.1
480.30710	1.0
489.32486	0.7
494.32431	1.0
495.33237	6.4
496.33188	1.4
506.32523	1.1
507.33270	6.1
508.33658	0.8
515.79694	0.6
524.33405	2.8
525.34314	13.1
526.34869	1.9
549.34491	1.2
657.38629	1.0
669.38916	1.2
687.39636	100.0
688.40015	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	687.3236
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53757	1.2
55.01884	2.1
55.03435	1.2
57.02495	1.2
57.03444	2.2
58.00587	3.1
59.01381	94.8
61.98837	6.0
69.03471	1.5
69.42531	2.6
69.42941	6.9
71.01385	52.4
71.04964	1.2
72.99303	6.8
73.02946	14.1
75.00835	1.3
83.01409	6.4
85.02953	12.0
87.00876	7.2
89.02445	55.0
93.23791	1.2
95.01393	3.9
96.96024	1.9
97.02970	1.8
99.04531	1.8
101.02446	31.5
105.01929	2.6
111.00932	1.8
113.02456	25.3
114.02750	1.4
119.03506	19.9
125.02418	3.2
131.03470	3.2
135.08173	2.5
137.02478	1.3
139.00386	1.4
139.07596	1.8
143.03502	5.8
149.04547	4.2
149.06049	4.0
150.06880	34.3
151.07332	2.9
161.04588	8.7
163.04102	1.6
163.07671	7.8
164.08478	6.8
165.02025	1.8
165.95795	1.4
179.05605	11.8
179.10756	17.2
232.01718	1.2
263.42682	1.5
281.26208	1.3
295.09772	3.0
307.33276	1.3
311.09479	2.4
345.22748	3.9
394.23065	1.3
464.31601	3.6
479.33643	6.1
502.19873	1.4
507.33112	2.8
524.33752	3.3
525.34308	19.1
526.34882	2.2
583.30853	3.1
601.32349	5.1
643.34351	2.2
687.39612	100.0
688.40100	16.3
719.91711	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.2311
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43471	2.4
61.98833	3.9
63.95514	2.3
71.55112	3.3
96.05595	2.7
98.53136	2.3
101.85084	2.3
255.23341	2.5
279.23178	3.2
280.23376	3.5
305.45142	2.7
407.36377	3.1
438.12970	6.3
481.15137	35.9
482.15283	10.8
495.17026	13.8
497.18573	5.6
539.15680	3.0
540.16394	10.0
541.17230	4.1
555.18878	83.7
556.18933	21.5
572.15277	19.1
573.15344	7.1
586.16760	6.3
609.18079	3.0
641.22601	41.5
642.22992	11.3
643.24213	12.2
674.22522	3.1
687.23029	100.0
688.23145	38.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.3233
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.3
55.94363	1.3
57.03442	2.2
58.00578	3.7
59.01377	100.0
60.01701	1.5
61.98830	24.8
69.03448	2.7
71.00002	2.4
71.01382	67.1
72.99304	8.1
73.02950	10.9
75.00871	2.4
83.01396	6.6
83.05065	2.2
85.02954	17.7
87.00884	8.2
87.21082	1.5
88.98792	2.1
89.02444	54.5
95.01370	7.1
96.95996	2.0
97.02959	2.5
97.06602	1.3
99.00876	3.2
101.02443	38.0
102.02766	1.4
105.01933	15.0
107.02365	1.3
111.00856	2.6
113.02449	35.1
114.02756	1.4
119.03500	24.3
125.02416	4.7
131.03459	3.5
135.02985	4.5
137.02382	2.5
143.03467	5.7
147.04500	5.5
149.04550	2.5
150.06831	1.8
151.00331	1.9
157.01411	1.9
161.04546	13.6
165.01892	2.8
179.05605	15.8
202.11568	1.6
233.09715	2.9
265.15207	1.4
295.09818	8.8
296.10046	5.6
297.10342	3.1
345.22583	1.4
583.31232	21.4
584.31708	4.6
590.05133	1.7
601.32306	26.7
602.32556	6.1
627.37531	1.6
643.33008	7.4
687.40204	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	687.3239
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76583	1.2
53.87484	1.2
54.49210	1.1
55.01870	2.0
57.03439	2.6
58.00597	2.2
59.01381	100.0
61.98828	34.3
63.16259	1.3
69.03448	2.8
71.01383	64.0
71.48508	1.2
72.01709	1.4
72.99303	9.0
73.02944	11.0
75.00856	2.3
83.01393	5.0
85.02956	13.4
87.00878	8.4
88.98771	1.5
89.02445	51.9
91.98423	1.3
95.01402	4.0
96.96027	2.7
97.02927	2.1
98.19868	3.9
99.00852	3.1
101.02449	34.6
105.01939	14.5
106.02287	2.1
110.73115	1.3
111.00862	3.0
113.02451	35.1
114.02778	1.8
119.03511	22.0
125.02422	4.8
127.00367	1.7
131.03525	2.0
132.77594	1.6
135.02989	2.9
135.08182	2.0
137.02441	3.7
137.05968	1.4
143.03479	7.7
145.83830	1.2
147.04526	4.6
149.04559	3.1
161.04547	10.3
165.01851	1.9
179.05638	15.9
179.07112	1.5
188.30917	1.4
229.88550	1.8
295.09680	7.8
296.10037	3.5
297.10452	2.3
583.31335	17.6
584.31396	2.2
601.32422	22.9
602.32648	3.8
627.37195	1.8
643.33313	5.8
687.40430	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	686.3393
Annotation	Unknow
Peak:m/z	Relative Intensity
54.71327	0.4
56.88787	0.3
59.01384	0.7
61.98831	100.0
75.32585	0.4
78.95902	0.6
110.98564	0.4
154.91563	0.5
171.10655	0.4
202.59839	0.5
229.17661	0.5
229.56958	0.4
245.44008	0.5
255.23402	1.5
279.23230	2.9
280.23795	1.5
382.26730	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.3386
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00713	0.4
55.93053	0.4
61.98830	100.0
66.48245	0.4
68.56898	0.5
71.24953	0.6
71.25294	0.6
72.39106	0.5
76.01177	0.4
78.95899	0.7
88.18072	0.4
88.87975	0.5
90.40837	0.4
92.83038	0.5
102.94806	0.6
105.87717	0.5
255.23325	1.5
265.44339	0.5
279.23267	3.3
280.23651	1.7
352.48242	0.5
400.28140	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.4479
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35020	0.5
51.36190	0.5
57.82458	0.5
61.98830	100.0
70.95175	1.2
78.95918	1.4
79.40110	0.6
93.76189	0.6
110.98536	1.1
114.22512	0.6
186.90521	0.6
255.23250	4.2
256.23746	2.3
279.23279	7.5
280.23633	6.6
686.49512	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.38
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92914	0.6
51.97132	0.7
55.01867	1.1
57.03443	2.0
58.43880	0.6
59.01382	10.4
61.98830	13.6
69.03443	2.7
71.01387	7.9
71.55923	1.0
72.99302	2.4
73.02950	7.2
79.57638	0.7
83.01412	1.3
83.05032	0.8
85.02956	3.1
87.00889	4.8
88.98825	0.9
89.02441	3.6
93.03461	0.9
95.01391	0.7
96.96010	1.6
97.06617	1.7
99.00907	2.3
99.04514	1.2
101.02419	4.0
101.06075	1.0
105.01936	11.8
109.02963	1.1
111.00870	1.6
111.04514	1.2
111.08173	1.8
113.02473	3.8
119.03491	1.1
119.05028	1.6
121.02962	25.7
122.03778	1.0
123.04564	1.5
123.08147	2.0
125.02441	1.8
125.09753	1.0
127.00360	1.6
135.03030	0.8
135.08180	2.1
136.05244	1.1
137.02484	1.6
137.06055	1.2
139.00337	2.0
139.07751	1.1
141.01888	1.0
143.03506	0.7
147.04553	2.1
149.06099	3.5
150.06860	46.4
151.07272	1.4
153.01938	1.2
157.01416	1.1
157.08701	2.6
162.06873	1.2
163.07663	11.8
164.08417	8.7
165.01976	2.6
165.05559	1.0
165.09290	0.7
171.10229	2.2
177.09221	1.1
178.09996	1.4
179.05569	1.1
179.09152	1.2
179.10767	24.5
180.11040	1.0
187.09833	3.4
195.08153	0.8
201.11317	2.1
205.10188	1.2
207.11763	1.6
211.02428	1.8
215.12791	3.5
221.11725	1.3
233.09785	1.6
241.14525	1.1
251.10773	5.8
295.06412	1.4
295.09763	25.8
296.10065	3.5
297.17160	1.4
301.20184	7.6
311.09290	2.1
313.20163	7.6
315.18115	7.2
320.19775	0.9
335.22345	1.5
364.22528	1.2
383.11331	7.9
384.11383	1.7
393.26688	1.0
401.16214	1.4
431.28070	2.7
475.30539	1.4
479.30481	0.7
492.30811	0.9
493.31696	6.6
494.31989	0.9
504.31137	0.9
505.31854	5.1
506.32211	1.2
522.32068	1.8
523.19965	5.1
523.32703	9.1
524.19958	1.0
542.14368	0.8
655.37311	0.8
667.36981	3.0
668.37439	1.0
685.38068	100.0
686.38428	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	683.4007
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30471	0.9
57.03445	4.5
59.01379	6.2
61.98828	9.1
71.01383	5.0
78.34148	0.7
78.95907	4.4
83.05006	0.8
89.02447	3.8
95.04990	0.8
97.06600	11.6
98.19926	1.9
101.02424	3.3
113.02426	1.7
117.62234	0.9
119.03488	0.9
123.08171	7.2
125.09727	100.0
126.10061	3.8
143.10855	1.3
152.99585	1.5
169.08664	1.9
179.05516	0.9
187.09755	71.7
188.10130	3.3
192.98769	1.2
241.01184	1.2
253.09259	1.4
255.23337	4.9
275.19693	0.9
277.21732	21.0
278.21954	1.8
315.04736	1.7
333.12579	0.9
355.04251	1.3
405.17728	6.3
423.18735	21.4
424.18961	1.8
437.89337	0.9
521.34796	1.2
571.28619	2.5
683.40082	88.9
684.40466	19.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.4007
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	5.7
59.01371	4.7
61.98540	1.5
61.98834	20.9
69.24319	8.7
71.01375	4.2
73.53160	1.0
78.95891	3.0
85.02943	1.5
87.00893	3.1
89.02451	1.1
95.05000	1.4
97.06589	14.8
98.20618	1.7
101.02435	5.3
113.02422	1.5
123.08170	9.3
125.09725	90.1
126.10043	3.0
126.83897	1.0
143.10786	1.7
145.05032	1.3
152.99570	2.8
161.04512	1.2
169.08656	2.3
173.37807	1.0
187.09752	36.3
188.10051	1.9
235.08194	3.3
253.09152	3.2
255.23262	4.6
277.21725	53.7
278.22067	3.9
279.23325	1.1
351.34439	1.0
405.17532	5.5
423.18692	4.4
424.18817	1.2
458.25604	1.0
683.40051	100.0
684.40338	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	685.2503
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52751	0.3
58.17833	0.3
59.01382	2.2
61.98841	2.6
64.16613	0.3
70.75854	0.3
70.83136	0.3
70.83456	0.6
71.01379	1.8
71.47891	0.3
72.99308	0.5
73.02937	0.6
74.92945	0.3
85.02933	0.7
87.00895	0.5
88.98808	0.3
89.02439	0.7
91.78876	0.3
93.03466	0.6
97.84892	0.3
101.02467	0.5
105.01943	4.7
109.02888	0.3
113.02454	0.9
121.02960	100.0
122.03284	3.7
125.02450	0.4
127.00374	0.4
129.97978	0.3
136.90176	0.3
137.02443	0.5
140.03477	0.3
147.04512	1.1
151.03987	0.7
161.38615	0.3
162.60664	0.3
165.01981	0.4
166.02728	0.8
170.82828	0.3
181.05099	1.0
205.05002	0.6
226.72482	0.3
295.09695	2.4
296.10181	0.5
307.29443	0.3
371.11383	1.6
386.13797	0.7
401.16101	5.0
402.16284	0.6
404.46231	0.3
476.49088	0.4
508.17285	0.5
522.31262	0.4
523.19714	22.0
524.20099	4.0
578.93817	0.3
684.37360	0.4
685.37744	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.3439
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	2.5
59.01377	42.2
61.98827	23.9
67.75602	1.8
71.01381	40.3
71.55168	2.2
72.99317	4.3
73.02964	10.0
83.01380	5.6
85.02937	12.1
87.00860	3.4
89.02445	33.9
95.01361	2.7
97.02936	1.8
99.00873	2.1
101.02441	29.0
102.02841	1.8
105.01897	2.0
109.48917	1.9
111.00868	3.5
113.02444	11.7
119.03516	3.8
125.02413	5.3
125.60030	1.7
131.03513	16.4
149.04546	15.0
161.04538	6.2
191.05634	3.1
233.06708	2.6
293.08539	2.2
295.09683	4.5
487.30817	2.6
493.28036	11.8
523.33081	2.8
523.43433	2.1
625.32294	100.0
626.32568	21.2
685.37469	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	683.2194
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	6.4
59.01866	0.6
61.00362	0.7
69.03461	2.7
70.75093	0.7
71.01382	3.1
71.55581	1.0
72.99342	0.6
73.02966	1.6
82.42116	0.6
85.02951	1.2
87.00891	1.1
89.02452	3.8
93.03473	1.6
96.96017	1.5
101.02447	1.6
113.02437	1.7
117.03510	0.7
119.03541	0.9
119.05029	0.7
121.02962	6.3
122.03772	4.0
131.03481	1.8
133.02936	2.3
134.03741	54.5
135.03027	1.4
135.04155	2.9
136.01657	1.2
137.02438	9.5
139.03995	2.9
147.04530	0.7
149.02435	9.4
149.06076	17.0
150.03230	37.2
151.03879	1.4
163.04048	0.8
164.04803	2.8
164.07201	0.7
165.05568	41.3
166.02742	0.9
166.05914	1.2
176.04805	0.9
178.02711	30.5
178.04262	1.6
179.03061	1.7
180.04265	3.1
181.05057	1.8
184.55057	0.8
187.13127	0.6
193.05054	100.0
194.05334	4.5
195.06631	20.4
196.06950	1.6
235.06102	1.5
250.06360	1.3
282.09024	3.2
311.09195	0.8
341.10275	8.4
342.10883	0.8
360.61639	0.8
389.12418	28.3
390.12668	3.7
405.15442	0.8
521.16583	3.6
551.17719	14.2
552.17590	2.0
584.93530	0.8
683.21832	27.5
684.21997	6.0
701.49628	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.2663
Annotation	Unknow
Peak:m/z	Relative Intensity
56.87319	1.3
57.03437	1.2
58.02956	3.8
59.01383	12.4
61.98827	3.0
69.30042	8.1
69.30451	2.6
70.02979	2.8
71.01368	7.2
72.00911	1.6
72.34558	1.2
72.99300	2.0
73.02943	3.8
74.02472	24.6
85.02956	2.2
87.00854	3.0
88.98800	5.3
89.02435	4.5
93.03422	1.5
98.02461	5.5
98.20610	2.1
101.02442	3.3
113.02438	1.7
116.03534	6.3
116.05055	10.5
119.05009	2.7
120.04491	1.5
121.02979	1.4
122.06089	2.2
130.06602	1.7
134.03748	36.5
135.02982	1.9
135.04036	1.1
137.02432	6.7
139.04008	3.5
142.06631	3.6
147.04558	1.7
149.02408	2.1
149.06076	16.7
150.03180	1.7
157.08699	1.4
159.09253	2.7
160.17516	1.1
161.02364	1.7
163.04010	2.2
164.04745	2.3
165.01875	3.4
165.05539	2.9
174.05571	2.5
178.01215	1.8
178.02725	30.2
179.03369	3.6
180.04204	2.3
181.45241	1.1
193.05049	100.0
194.05449	7.6
195.06581	3.8
199.39200	1.2
203.08260	27.4
204.08522	2.3
207.06656	1.7
209.08180	3.8
215.12823	3.8
218.04610	3.2
222.11195	1.3
223.06052	3.7
225.07617	4.5
229.03468	1.3
235.06242	1.8
245.09279	67.8
246.09572	3.4
315.18076	1.9
327.09497	1.5
335.34412	1.2
375.07059	2.2
403.08640	1.6
403.13931	27.8
404.14468	3.5
419.13358	1.5
521.16638	3.6
551.17365	2.5
565.19617	2.9
565.28461	4.5
579.29663	1.9
683.21161	11.1
683.32343	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	682.1625
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	0.2
61.98831	100.0
62.98547	0.2
67.10775	0.1
68.84644	0.1
69.26291	1.4
125.61989	0.2
134.60820	0.1
169.06596	0.3
183.04468	0.2
187.04114	0.2
203.03983	0.1
211.04074	0.2
215.03719	0.2
227.03551	0.2
255.02980	3.2
256.03522	0.3
257.04538	0.2
283.02481	7.2
284.03098	1.0
285.04050	9.3
286.04349	0.7
426.78857	0.1
430.08981	1.7
431.09787	3.5
431.15176	0.2
432.10413	0.3
473.11145	0.3
619.16663	11.4
620.17120	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	683.1461
Annotation	Unknow
Peak:m/z	Relative Intensity
55.79432	0.7
56.40367	0.7
59.01384	6.5
60.99307	18.8
61.98830	1.3
65.48427	0.8
67.15089	0.8
71.01390	5.1
71.01730	0.8
71.55252	1.4
73.02955	1.8
85.02937	1.5
87.00897	1.4
88.98804	100.0
89.02453	3.7
97.50079	0.8
101.02426	3.0
109.04436	0.9
113.02437	2.2
116.92852	1.1
119.03484	1.0
121.02982	1.5
125.02441	0.9
134.03729	10.8
135.02968	1.1
137.02478	2.0
147.04437	1.0
149.02480	0.8
149.04683	0.9
149.06033	3.8
151.00349	2.7
162.03210	3.6
163.00339	1.4
163.03984	1.1
165.05460	1.1
177.05547	2.1
178.02692	6.3
179.05635	1.1
193.05043	20.5
194.05482	1.1
243.02876	2.4
255.02971	2.9
271.02451	23.6
272.02963	2.1
299.01971	42.8
300.02396	7.1
301.03503	36.5
302.03802	3.5
353.10519	1.0
399.79535	0.8
446.08456	15.3
447.09171	12.7
448.09616	1.5
579.29156	0.9
593.15057	81.7
594.15387	12.5
683.21350	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	683.1461
Annotation	Unknow
Peak:m/z	Relative Intensity
55.10024	0.4
59.01377	6.1
60.99306	17.2
61.89176	0.4
61.98823	0.8
63.72969	0.4
70.33879	0.4
70.34361	0.4
71.01376	3.8
71.55468	0.6
72.99304	1.3
73.02940	1.1
74.85246	0.4
83.01419	0.6
84.50643	0.4
85.02945	0.7
87.00898	0.7
88.98804	100.0
89.02440	3.3
89.99136	0.8
101.02439	2.2
102.98595	0.8
112.92810	0.4
113.02438	1.7
115.83874	0.4
119.03518	1.0
119.05048	0.7
121.02919	0.7
131.03519	0.6
134.03740	6.3
135.03003	0.4
137.02437	1.2
146.03729	0.8
149.02426	0.8
149.06090	2.1
150.03235	3.4
151.00351	0.9
151.04030	1.3
152.07549	0.4
161.04601	0.8
161.06058	0.5
163.04079	0.4
164.04803	1.1
165.05548	3.0
166.02724	1.5
167.03377	0.5
175.03947	0.4
178.02731	3.5
179.05685	0.9
179.07198	1.4
181.05052	2.7
185.82822	0.4
193.05046	12.8
195.06676	1.5
202.86172	0.4
234.63731	0.4
235.06094	0.4
281.08221	0.7
282.08862	0.6
283.02460	1.2
283.09476	0.5
285.03918	0.4
300.09760	0.5
311.09512	0.6
326.11539	0.5
329.14307	0.5
341.10300	0.6
341.13885	1.0
350.75317	0.4
387.14697	0.6
389.12183	3.1
403.13867	2.0
405.15704	0.9
405.89014	0.5
417.15512	2.8
430.09094	0.5
433.28351	0.4
447.09094	0.4
476.16571	0.7
491.19290	4.3
492.19995	0.5
503.19260	4.5
521.20911	2.3
551.17511	3.3
565.28961	0.6
593.14972	1.4
647.23853	0.4
665.24591	0.5
683.21130	2.1
683.31677	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	682.1624
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09249	0.1
58.63028	0.1
59.01370	0.3
60.15663	0.1
61.98829	100.0
62.98540	0.1
65.00307	0.1
69.26117	0.9
71.01413	0.1
83.01394	0.1
85.02994	0.1
93.03486	0.1
101.02451	0.1
107.01391	0.1
151.00325	0.2
153.25117	0.1
159.04495	0.1
169.06561	0.3
183.04434	0.2
185.06042	0.2
187.04010	0.2
189.05641	0.2
211.04056	0.2
213.05547	0.3
227.03502	0.4
229.05128	0.2
241.05006	0.1
243.02979	0.1
248.55688	0.1
255.02966	3.4
256.03430	0.2
257.04758	0.2
281.53278	0.1
283.02466	8.2
284.03021	1.1
285.04037	10.5
286.04346	0.7
299.19098	0.1
430.09021	1.7
431.09793	3.6
432.10037	0.5
473.10904	0.4
532.95416	0.1
590.83167	0.1
619.16638	11.5
620.16888	1.9
682.36737	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.3081
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45366	1.0
58.02974	6.5
59.01380	6.6
69.03461	5.2
70.02977	6.0
71.01376	3.3
72.99284	1.0
74.02477	34.1
85.02937	1.5
87.00923	1.1
89.02431	1.6
91.61920	1.1
96.96008	2.5
97.02962	1.5
97.87194	1.1
98.02478	6.9
98.19932	2.7
99.00885	2.7
101.02450	2.7
107.42180	1.1
113.02493	1.3
116.03551	8.3
116.05061	14.0
142.06589	3.5
159.09254	3.1
165.01907	1.0
170.99619	1.0
175.02402	1.2
185.00903	3.2
195.06580	1.4
201.10333	4.2
203.08263	37.6
204.08600	3.2
227.03383	1.6
245.09296	100.0
246.09680	6.8
251.42516	1.0
255.02982	14.5
256.03421	2.4
283.02499	30.0
284.03015	6.8
285.04037	20.7
286.04337	2.1
303.17068	1.1
430.09064	8.0
431.09753	11.0
432.09720	1.4
489.10330	4.6
490.10712	1.6
559.94263	1.2
635.16241	20.2
636.16364	4.4
645.58655	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	680.4607
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	2.8
61.98830	100.0
64.14873	0.3
64.77002	0.3
68.73723	0.3
71.01380	0.9
72.99326	0.5
85.02980	0.5
87.00891	0.5
89.02464	0.5
94.70757	0.3
98.96319	0.3
102.53481	0.4
125.97602	0.4
217.48230	0.3
239.16679	0.4
295.09628	0.3
642.65674	0.4
681.37360	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.4066
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99221	0.7
57.03449	1.0
58.00589	1.9
59.01382	39.7
61.98841	1.2
69.03452	2.5
71.01381	37.7
72.99305	3.4
73.02943	7.4
75.00871	1.2
78.95908	1.3
81.03471	1.9
83.01408	3.5
85.02946	8.8
87.00874	8.9
89.02447	32.3
91.03981	0.9
93.05080	0.9
95.01402	2.6
97.02956	6.7
99.00876	1.8
99.77750	0.8
101.02444	35.0
103.04025	1.2
109.02953	0.8
111.04533	0.9
111.73346	0.8
113.02451	17.2
113.03239	1.0
119.03510	12.0
119.95365	0.9
124.01621	1.3
125.02463	13.0
131.03471	2.2
139.04082	1.2
143.03511	5.7
149.04599	1.3
161.04568	6.1
167.01271	1.1
167.03477	1.0
179.05652	6.1
199.06166	0.9
217.07222	1.1
221.06644	2.0
235.08221	13.4
253.09291	2.9
253.21626	2.1
255.23244	1.3
263.07785	1.8
277.09344	1.5
277.21762	9.1
278.22015	1.4
283.26428	100.0
284.26767	9.8
287.07712	3.7
305.08713	4.2
323.09720	2.0
379.12253	0.9
397.13483	89.9
398.13641	6.3
415.14560	33.1
416.15109	2.4
445.23505	5.1
542.43292	0.9
624.17462	0.9
638.17029	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.2981
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.9
57.03445	3.8
58.00585	0.7
59.01381	53.5
60.01689	0.5
61.39579	0.4
61.98833	6.0
68.99828	0.7
69.03439	1.8
70.72507	1.1
71.01380	31.9
72.01721	0.5
72.99317	3.2
73.02950	15.0
75.00388	0.5
75.00867	1.2
83.01391	7.2
85.02952	19.7
86.00092	0.9
87.00870	3.0
87.24820	0.4
89.02444	8.5
92.87640	0.4
95.01380	4.5
96.95953	0.6
97.02939	1.4
99.00880	5.1
101.02444	22.5
111.00858	0.9
113.02452	19.7
114.02785	0.5
119.03522	2.1
125.02451	1.2
127.00312	0.6
129.01964	0.7
131.03558	0.7
143.03494	2.8
157.01468	0.5
159.02972	2.0
161.04570	8.9
179.05598	0.7
185.00945	0.5
255.13892	0.5
295.17081	6.7
296.17484	0.7
311.09052	0.7
313.18085	16.6
314.18423	1.3
397.20319	0.6
405.34061	0.5
428.79602	0.5
431.24170	2.6
439.17831	0.4
457.22330	42.1
458.22607	6.4
460.44067	0.5
473.23911	0.6
475.23358	19.8
476.23627	3.8
517.24408	100.0
518.24707	17.5
520.84235	0.5
593.27936	0.5
643.26953	0.7
648.04333	0.6
679.32495	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.4948
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	2.4
61.98838	1.0
69.03449	0.7
70.60220	0.2
71.01382	1.6
71.55236	0.2
72.99303	0.4
73.02949	1.0
75.00877	0.3
80.05080	0.3
81.03461	8.3
82.95419	0.4
83.01347	0.2
83.05027	19.4
84.05366	0.3
85.02932	0.7
87.00871	0.6
88.98785	0.2
89.02441	0.7
90.15440	0.2
96.96001	0.7
97.02935	0.4
97.80009	0.2
99.00867	0.4
100.07687	0.3
101.02438	1.0
105.01958	0.2
107.06123	0.4
108.04549	0.6
113.02435	0.7
119.03473	0.3
119.05057	0.2
121.93923	0.2
125.02404	0.2
125.07201	1.4
126.05594	0.5
135.02986	0.2
143.08231	0.7
161.04610	0.4
179.05591	0.2
185.00902	0.7
194.99062	0.2
201.11340	0.2
207.14984	1.6
224.17690	2.7
225.16086	13.7
226.16368	0.6
242.16559	0.2
242.18646	1.0
249.14940	0.3
250.15540	0.2
267.15958	0.4
290.22308	0.3
292.85437	0.2
309.21823	0.8
324.26514	0.5
333.23117	1.2
341.29172	1.1
351.23898	0.3
353.10501	0.3
367.27191	1.2
429.21359	0.7
433.31815	1.4
434.32104	0.3
450.34479	1.6
451.32861	6.4
452.33328	0.7
468.35300	0.3
471.22379	3.2
472.22672	0.7
550.43250	1.1
551.43695	0.3
559.40009	0.4
593.43726	0.5
617.06171	0.2
659.48737	1.4
677.49670	100.0
678.49969	19.7
678.62549	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.2972
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24833	0.5
57.03445	3.2
59.01391	2.7
61.98828	1.7
68.19930	0.6
69.03445	1.8
71.01369	2.3
71.55390	0.9
71.89475	0.5
72.99324	0.9
75.82070	0.6
80.02666	0.7
80.43255	0.6
81.03455	3.0
83.01395	3.5
85.02956	1.1
87.00889	0.9
89.02428	0.7
93.03449	2.0
95.01395	0.6
95.05018	3.0
97.02950	7.5
99.00933	0.6
99.01749	0.5
101.02463	0.9
102.98579	1.1
107.05029	0.6
107.30864	0.5
108.02180	0.7
109.02953	26.2
110.03275	0.9
113.02432	1.0
115.99564	0.5
119.04939	0.6
121.02959	2.9
122.03733	1.8
123.04520	16.9
124.04848	0.6
125.02440	16.3
126.02693	0.7
127.00430	0.5
135.04532	2.4
137.02449	10.3
138.03203	1.3
139.04028	3.9
145.02957	1.2
146.03694	0.9
146.77502	0.6
149.02451	5.0
150.03220	1.8
151.04015	7.5
157.01268	0.6
158.03764	0.6
159.04489	3.1
160.05247	1.8
160.34860	0.5
160.83971	0.6
161.02446	1.2
161.06081	4.4
162.03217	2.1
163.04004	1.2
164.01138	3.2
164.07170	0.7
165.01913	4.9
165.05463	0.7
167.03433	1.6
173.06146	1.1
175.02553	0.8
175.04019	1.5
175.07637	1.5
179.03467	5.7
185.00887	0.6
185.06105	1.3
187.03947	4.5
188.04773	3.5
195.06544	0.6
199.07578	0.8
201.05598	0.8
202.06328	1.8
203.07129	14.1
204.07413	1.1
205.05058	7.4
206.08182	1.0
221.08136	4.0
224.83615	0.6
227.07179	2.6
230.05751	0.8
245.08157	17.4
246.08490	1.5
271.06009	1.2
289.07178	100.0
290.07510	9.0
575.27582	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3749
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02078	0.3
50.05675	0.3
55.01864	1.4
57.03441	1.4
58.00590	2.1
59.01377	40.9
60.01700	0.4
61.98813	0.7
66.93182	0.3
69.03461	2.4
70.99393	0.7
70.99749	0.5
71.01381	33.3
72.01733	0.4
72.99311	3.2
73.02944	6.1
75.00857	1.1
81.03460	1.6
83.01385	4.6
84.97960	0.3
85.02944	7.9
86.00091	0.3
87.00877	9.0
89.02441	32.4
90.02769	0.3
91.04025	0.6
95.01375	2.9
95.04990	0.5
97.02952	6.2
99.00874	1.8
99.04518	0.5
101.02441	29.0
102.02783	0.5
106.49877	0.3
109.02964	0.8
111.00872	0.5
111.04495	1.2
113.02447	13.9
115.03996	0.8
119.03500	10.4
121.02942	0.4
123.04525	0.5
125.02446	11.9
127.04027	0.5
131.03519	1.8
133.05037	1.0
134.62024	0.3
139.03995	0.8
141.01863	0.9
143.03500	4.8
149.04520	1.3
152.99623	0.4
161.04561	7.0
167.03479	0.9
169.05087	0.8
179.05589	6.5
179.07016	0.6
181.05080	0.4
185.04439	0.6
199.06110	0.5
217.07120	1.2
221.06657	2.4
235.08214	12.7
236.08543	0.8
245.06627	0.6
253.09288	4.0
261.22278	0.5
263.07758	1.5
277.09262	1.0
277.21716	0.4
279.23267	100.0
280.23627	8.6
287.07697	3.5
293.24945	0.4
305.08762	3.2
323.09802	1.9
338.31491	0.4
372.78180	0.4
379.12247	1.0
397.13477	71.0
398.13846	6.4
415.14529	31.4
416.14713	2.5
546.97955	0.3
593.27319	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.2924
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80634	0.4
55.59026	0.4
58.02975	6.1
59.01369	1.7
61.98809	1.0
69.03460	0.6
69.68315	2.9
70.02982	4.9
71.01400	1.1
72.00903	2.2
72.04547	0.9
72.99334	0.5
74.02472	36.9
76.40224	0.5
82.89497	0.5
85.02979	0.7
87.00860	0.6
89.02444	1.0
96.96036	0.5
98.02473	9.1
101.02468	0.6
103.47242	0.4
113.02417	0.5
116.03548	9.0
116.05053	13.9
122.06188	0.4
130.06650	1.2
136.07651	0.5
142.06607	2.9
159.09271	3.4
183.09235	0.6
186.05592	0.8
190.67477	0.4
201.10339	3.3
203.08249	37.4
204.08578	2.0
245.09290	100.0
246.09628	7.4
335.12427	0.7
348.23120	0.4
404.04987	0.5
574.96741	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3744
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.4
57.03419	0.8
58.00598	1.5
59.01380	37.1
61.89795	0.8
61.98822	1.8
69.03448	2.5
71.01381	32.3
71.55716	1.0
72.99299	3.0
73.02933	5.8
75.00887	1.3
76.41234	0.7
78.95923	0.9
80.96518	1.9
81.03447	1.3
83.01401	3.7
85.02953	8.4
87.00867	7.8
89.02444	33.9
90.02802	0.8
95.01376	2.4
97.02943	6.2
99.00893	2.0
101.02438	29.6
101.04655	0.6
102.02761	0.7
111.00787	0.7
111.04510	1.1
113.02451	13.0
117.56081	0.7
119.03504	10.3
119.05025	1.3
125.02454	13.0
131.03529	1.7
133.05048	0.7
143.03529	5.8
149.04526	1.5
161.04556	7.8
163.03978	1.5
167.03554	0.7
174.01479	0.7
179.05624	6.5
185.04536	1.0
217.07240	1.2
219.05054	0.8
221.06670	2.5
235.06033	1.2
235.08243	12.1
253.09273	3.6
262.53958	0.7
263.07639	1.6
279.23276	100.0
280.23636	9.5
287.07669	2.6
293.25089	0.7
305.08807	4.8
323.09866	1.6
379.12558	1.0
397.13495	71.5
398.13788	6.9
415.08920	1.4
415.14572	28.9
416.14682	3.1
472.83560	0.8
577.26831	2.1
595.29218	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.2448
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12892	1.3
59.01374	8.6
61.98817	4.2
68.99760	1.4
69.51163	3.1
69.51564	7.7
71.01395	3.3
72.99323	2.2
82.97191	1.5
87.00846	2.9
89.02454	2.8
93.03463	4.7
94.80025	1.2
95.01408	2.0
96.96012	2.5
101.02423	1.9
105.03442	2.0
108.02200	3.2
113.02426	2.0
121.02948	14.4
122.00176	1.2
122.03743	9.5
123.04537	2.4
125.02418	2.5
133.02936	1.8
134.03741	45.2
135.04591	7.8
136.01663	75.3
137.02386	5.9
147.04602	1.6
149.02443	18.1
149.06070	26.4
150.03227	73.2
151.04015	78.3
152.04572	4.0
153.05473	1.5
161.08199	6.5
164.04807	4.9
165.05568	69.8
166.05940	3.0
167.03540	1.2
167.07146	2.9
179.38422	1.5
180.04288	5.7
181.05069	2.2
185.06065	1.4
195.04794	1.9
195.06609	44.9
196.07034	1.5
199.02299	1.3
203.97327	1.3
204.80586	1.6
213.05554	9.4
223.03983	3.7
224.04880	3.6
225.05531	1.7
236.04688	2.5
239.07040	1.9
240.04181	2.9
241.05070	57.4
242.05489	5.6
252.04251	5.4
253.04967	5.0
255.06596	4.1
256.07394	47.2
257.07764	2.7
267.06784	1.7
269.04526	2.7
270.08875	3.3
271.09747	100.0
272.10165	8.6
284.06763	6.3
285.07693	9.8
299.09241	17.5
319.11847	33.3
320.12192	4.0
373.13013	2.4
419.14825	2.8
467.17099	74.8
468.17444	10.9
515.19220	61.1
515.27051	2.5
516.19464	10.0
538.16943	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.202
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	4.4
61.98822	6.8
69.21304	2.8
71.11903	2.4
71.55070	3.1
72.45657	2.4
81.61202	2.4
88.52998	2.6
107.28547	2.6
107.29283	3.4
208.16013	2.8
223.34058	2.3
229.99036	2.7
480.13754	3.5
481.15186	16.9
482.15314	3.8
495.16956	6.1
540.15741	5.3
555.11322	3.8
555.18951	35.6
556.19531	7.1
572.15320	10.0
573.16022	3.3
641.22479	28.6
642.22675	5.0
677.20135	100.0
678.20343	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	677.2448
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12892	1.3
59.01374	8.6
61.98817	4.2
68.99760	1.4
69.51163	3.1
69.51564	7.7
71.01395	3.3
72.99323	2.2
82.97191	1.5
87.00846	2.9
89.02454	2.8
93.03463	4.7
94.80025	1.2
95.01408	2.0
96.96012	2.5
101.02423	1.9
105.03442	2.0
108.02200	3.2
113.02426	2.0
121.02948	14.4
122.00176	1.2
122.03743	9.5
123.04537	2.4
125.02418	2.5
133.02936	1.8
134.03741	45.2
135.04591	7.8
136.01663	75.3
137.02386	5.9
147.04602	1.6
149.02443	18.1
149.06070	26.4
150.03227	73.2
151.04015	78.3
152.04572	4.0
153.05473	1.5
161.08199	6.5
164.04807	4.9
165.05568	69.8
166.05940	3.0
167.03540	1.2
167.07146	2.9
179.38422	1.5
180.04288	5.7
181.05069	2.2
185.06065	1.4
195.04794	1.9
195.06609	44.9
196.07034	1.5
199.02299	1.3
203.97327	1.3
204.80586	1.6
213.05554	9.4
223.03983	3.7
224.04880	3.6
225.05531	1.7
236.04688	2.5
239.07040	1.9
240.04181	2.9
241.05070	57.4
242.05489	5.6
252.04251	5.4
253.04967	5.0
255.06596	4.1
256.07394	47.2
257.07764	2.7
267.06784	1.7
269.04526	2.7
270.08875	3.3
271.09747	100.0
272.10165	8.6
284.06763	6.3
285.07693	9.8
299.09241	17.5
319.11847	33.3
320.12192	4.0
373.13013	2.4
419.14825	2.8
467.17099	74.8
468.17444	10.9
515.19220	61.1
515.27051	2.5
516.19464	10.0
538.16943	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	675.3593
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.3
56.67703	0.2
57.03450	1.4
58.00597	2.6
59.01378	48.4
60.01713	0.5
61.98836	0.3
65.96451	0.2
67.01891	0.3
68.99814	0.5
69.03455	3.0
70.03895	0.2
71.01379	44.2
72.01720	0.7
72.99306	3.4
73.02946	7.2
75.00861	0.9
78.95885	0.4
79.01894	0.3
81.03454	2.3
83.01382	5.2
83.05038	0.6
85.02946	8.9
86.00093	0.5
86.03338	0.3
87.00874	10.4
87.04517	0.3
88.01211	0.2
89.02442	37.8
90.02769	0.6
91.03497	0.2
91.04015	0.8
92.17770	0.2
93.03448	0.4
94.26760	0.2
95.01395	2.8
97.02950	7.7
97.03578	0.4
99.00879	3.1
99.04507	0.5
101.02440	35.2
102.02783	0.8
103.00368	0.3
103.03999	0.4
107.01371	0.2
108.02203	0.2
109.02939	0.8
111.00866	0.5
111.04523	1.2
112.01673	0.3
113.02446	17.4
114.02769	0.4
115.04016	0.7
119.03500	11.5
120.03824	0.2
121.02935	0.9
123.00883	0.3
123.04527	0.4
124.01656	0.3
125.02444	14.0
126.02778	0.5
127.04005	0.6
127.07621	0.4
129.01930	0.3
129.22859	0.2
131.03490	2.2
133.05061	1.1
135.04523	0.2
137.02467	0.3
139.04018	1.1
141.01962	0.7
141.05576	0.2
143.03491	6.8
144.03851	0.3
144.81082	0.2
149.02484	0.3
149.04536	1.2
151.04042	0.2
152.99567	0.7
157.05003	0.3
161.04552	8.1
163.04048	0.3
167.03467	1.0
169.05026	0.6
171.03004	0.3
179.05602	7.4
185.04503	0.8
199.06134	0.7
203.05562	0.3
207.62552	0.2
217.07120	1.2
219.05020	0.3
221.06615	2.6
222.06932	0.2
229.02989	0.2
233.22784	0.6
235.08212	15.4
236.08546	0.5
245.06673	0.8
253.09256	4.9
254.09695	0.3
259.20743	0.5
263.07611	1.6
275.20132	0.6
277.09546	1.2
277.21698	100.0
278.22049	8.9
287.07730	3.6
291.23279	0.3
305.08740	3.7
323.09750	1.6
324.10037	0.2
361.11493	0.5
379.12457	1.0
397.13474	76.7
398.13834	5.9
415.14542	32.7
416.14929	2.8
440.81253	0.2
582.05341	0.2
593.27252	0.4
687.55585	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.2768
Annotation	Unknow
Peak:m/z	Relative Intensity
55.12432	0.4
55.62374	0.5
56.67168	0.4
58.02971	5.7
59.01379	1.5
61.98851	0.5
70.02986	5.2
71.01376	1.1
71.55573	0.8
72.00896	2.5
72.04552	1.3
72.99310	0.6
73.02946	0.7
74.02475	35.8
76.17324	0.6
80.12505	0.6
87.00854	1.1
96.95990	1.0
98.02488	7.8
98.05212	0.6
113.02509	0.5
116.03548	9.4
116.05067	13.9
130.06604	2.0
142.06622	2.8
159.09262	3.2
183.09351	0.7
186.05627	1.1
201.10393	3.0
203.08258	39.5
204.08563	1.5
245.09303	100.0
246.09660	6.2
477.28210	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3597
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11195	0.1
55.01874	1.8
57.03452	1.4
58.00592	2.7
59.01380	54.5
60.01712	0.6
61.98838	0.2
67.01906	0.3
68.99821	0.6
69.03460	2.7
71.01381	46.4
71.54886	0.2
72.01723	0.5
72.99306	3.7
73.02945	8.1
75.00883	1.2
76.56151	0.1
79.01900	0.3
81.03462	2.0
83.01387	5.9
83.01884	0.3
83.05021	0.7
84.02177	0.2
85.02951	10.0
86.00095	0.5
86.03313	0.2
87.00877	11.7
87.04498	0.4
89.02444	41.1
89.82924	0.1
90.02788	0.6
91.04005	0.7
93.03445	0.5
95.01385	3.2
95.05017	0.2
97.02951	8.3
98.03297	0.2
99.00887	2.7
99.04520	0.6
100.61429	0.1
101.02443	38.2
102.02789	0.8
103.00401	0.3
103.04034	0.7
107.05069	0.2
109.02950	0.9
111.00884	0.5
111.04529	1.4
112.01684	0.2
113.02448	18.2
114.02764	0.3
115.04002	0.9
117.01967	0.2
119.03502	11.8
120.03831	0.2
121.02931	0.8
123.00886	0.4
123.04563	0.7
124.01676	0.6
125.02446	16.1
126.02760	0.3
127.03999	0.6
127.07668	0.2
128.41516	0.1
129.01981	0.3
131.03519	1.9
133.05086	1.2
135.04630	0.1
137.02429	0.5
139.04018	1.2
141.01933	0.7
142.02730	0.2
143.03497	7.7
144.03859	0.2
149.02496	0.3
149.04564	1.1
155.03499	0.2
157.05051	0.3
161.04558	8.3
162.04893	0.3
167.03514	0.9
169.05042	0.6
171.02971	0.5
179.05612	7.9
180.05986	0.3
185.04469	0.7
199.06082	0.8
203.05569	0.4
217.07127	1.4
219.05011	0.7
221.06662	3.0
224.08705	0.2
227.00595	0.1
227.05693	0.2
233.22670	0.4
235.08215	15.9
236.08476	0.7
241.55812	0.1
245.06660	1.0
253.09261	4.2
254.09488	0.2
259.20660	0.5
263.07642	2.0
275.20181	0.5
277.09583	1.3
277.21704	100.0
278.22046	9.2
287.07690	3.7
288.08112	0.2
291.23322	0.4
295.10425	0.2
303.83850	0.2
305.08789	4.3
308.78918	0.1
323.09781	2.4
361.11414	0.8
379.12534	1.0
380.12701	0.2
397.13480	80.5
398.13809	6.4
415.14536	36.1
416.14917	2.8
507.87881	0.2
603.31543	0.2
675.35669	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.3438
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.3
59.01379	9.6
61.98838	1.4
64.28618	0.2
67.02005	0.2
70.96246	0.6
71.01376	2.6
72.99305	0.4
73.02959	1.1
75.00866	0.9
80.02676	0.9
81.03457	1.3
83.01373	0.6
83.05026	4.5
84.02156	0.8
85.02938	0.5
87.00872	0.6
89.02442	1.7
95.05043	0.7
97.02933	0.3
97.06538	0.3
99.00861	0.4
101.02443	2.1
109.06605	0.3
113.02451	0.8
119.03549	0.4
123.08209	0.3
123.76008	0.2
125.02489	0.3
125.06052	0.8
135.08157	0.8
137.40799	0.3
145.05058	0.3
147.04532	0.6
147.11807	0.3
159.08073	0.3
161.04529	0.7
163.11288	3.1
165.12849	2.3
166.13182	0.2
171.10242	2.2
179.05663	0.2
181.12305	0.6
191.10754	0.7
199.13362	0.3
206.17661	0.2
209.11818	100.0
210.12166	6.4
221.11795	0.4
227.12875	12.3
228.13187	0.9
235.08231	1.3
247.13342	1.0
253.09285	5.4
254.09846	0.3
265.14529	0.2
295.09543	1.1
297.04449	0.2
317.07959	0.5
401.23160	0.3
445.20676	0.7
455.27197	0.2
483.22452	0.3
487.21262	0.2
529.22797	0.7
547.24017	1.5
589.25195	1.0
637.32544	0.7
638.32385	0.3
655.33246	0.4
673.34033	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.2671
Annotation	Unknow
Peak:m/z	Relative Intensity
54.76370	1.9
55.01889	2.4
55.02575	1.6
57.03447	4.2
59.01381	26.1
59.21358	1.5
61.98832	14.8
69.03448	3.9
71.01385	11.5
71.39111	1.9
72.99302	4.7
73.02948	6.2
75.00871	5.9
78.95898	1.9
80.05065	6.9
83.01386	2.0
85.02958	5.3
87.00880	8.9
89.02437	7.0
93.03455	2.7
94.02996	3.5
94.06626	2.8
94.92386	1.6
95.01418	2.0
96.95999	6.6
98.19753	2.8
99.00879	2.0
101.02456	6.9
104.05110	2.5
106.06615	3.4
106.25630	1.8
107.03778	4.2
108.04531	2.9
111.00885	2.5
111.04501	2.2
113.02470	5.0
120.04534	1.7
120.08146	2.0
121.02938	3.1
122.06129	26.4
123.04577	2.4
124.04028	3.6
125.02450	3.4
129.01942	2.3
132.04570	2.2
134.06099	4.9
135.08284	1.8
136.04034	6.3
137.04761	2.2
138.05534	3.2
139.00340	1.8
139.04028	2.2
139.07658	1.8
141.01921	1.8
147.05701	2.7
150.05586	12.2
150.06818	4.4
152.07169	35.8
152.99515	3.0
153.07582	2.2
161.04608	2.4
174.05560	2.4
175.05084	2.1
185.00851	2.9
201.10193	11.7
205.12218	1.9
213.10295	6.4
215.11804	2.0
225.10298	2.3
227.11902	6.8
229.09787	19.1
229.13257	8.0
229.76643	2.2
237.10320	2.7
239.11919	7.4
245.12965	10.7
247.10841	3.5
255.11406	7.6
257.12988	5.9
273.12463	6.1
285.12421	2.2
289.11914	4.2
295.10745	3.4
300.59445	1.6
301.11893	16.3
301.58661	1.7
302.12161	1.8
309.12408	2.8
311.09167	3.7
313.12036	4.8
319.12997	76.5
320.13229	6.7
323.10413	6.9
325.11926	2.1
327.13361	4.0
330.12399	2.3
344.10202	2.1
346.11597	2.0
355.12958	6.5
359.12671	3.1
373.14346	2.0
374.14981	8.8
392.16156	9.1
393.16885	1.9
403.15054	2.3
416.16232	6.2
418.14206	3.6
434.17078	4.9
489.27127	1.8
539.22559	2.3
557.24066	17.0
557.32275	3.0
558.24750	3.4
581.23730	4.1
599.25079	79.7
600.25403	13.4
602.23956	3.8
631.79779	1.8
643.24084	100.0
644.24432	17.3
670.45514	2.0
674.38306	3.8
675.26843	29.8
675.37390	24.0
676.27435	6.7
676.37518	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	673.3452
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	3.6
61.98828	1.5
61.99120	0.3
63.58137	0.3
65.98333	0.3
66.80850	0.2
69.03455	0.4
69.22166	2.3
69.22572	0.4
71.01391	2.2
71.05023	0.4
73.02943	0.8
75.00878	1.1
80.02657	1.1
81.03455	1.1
83.01392	0.5
83.05023	4.9
84.02169	0.8
85.02936	0.8
87.00887	0.7
89.02447	1.7
93.03496	0.3
95.05009	1.2
97.06594	0.4
101.02434	1.9
101.03002	0.3
105.01963	0.3
109.06595	0.4
111.08163	0.3
113.02428	1.2
119.03504	0.4
120.28620	0.2
123.08147	0.4
125.02430	0.3
125.06017	0.3
125.09743	0.5
135.08168	0.8
147.04530	0.4
149.06047	0.3
150.06859	2.5
151.07198	1.2
161.04530	0.8
163.07593	0.6
163.11266	3.2
164.08363	1.0
165.12808	2.7
171.10271	2.7
179.10732	0.9
180.11086	0.9
181.12399	0.6
191.10788	1.0
207.10226	0.4
209.11810	100.0
210.12137	6.3
214.32768	0.3
227.12871	13.1
228.13228	0.8
235.08281	1.5
244.86732	0.3
247.13341	1.2
253.09299	4.8
265.14511	0.3
295.09738	0.9
329.23340	0.6
331.23907	0.5
445.20905	1.0
510.35141	1.0
511.35599	1.4
637.31561	0.6
672.41028	0.6
673.41132	6.4
674.41388	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.3437
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	0.4
57.03427	0.4
59.01374	4.4
61.98824	1.3
71.01385	4.3
71.25010	0.6
71.25348	0.4
73.02957	1.0
83.01408	0.4
85.02957	1.7
87.00895	1.4
87.81903	0.4
87.83112	0.4
89.02435	2.7
97.02942	0.5
97.06614	0.6
101.02451	3.3
111.08172	1.2
113.02454	1.4
118.72868	0.4
119.03480	0.7
139.92220	0.4
161.04597	0.7
162.45587	0.4
165.12846	9.5
166.13206	0.4
180.72293	0.4
183.13896	100.0
183.95383	0.4
184.14244	5.6
209.11844	3.4
211.13359	1.1
227.12833	5.1
235.08171	1.4
253.09262	2.4
417.27994	0.5
443.99872	0.4
445.20825	1.5
463.21881	4.6
511.29565	0.8
629.35236	5.5
630.35596	1.1
655.33282	3.8
656.33423	0.9
673.34308	56.6
674.34705	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	673.1327
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
61.98824	72.5
69.43661	64.0
69.44083	70.4
71.01397	29.1
101.02488	23.7
131.79454	18.9
155.72574	18.5
158.20589	16.5
171.10278	62.5
199.25294	16.8
209.11789	40.8
211.13324	28.2
214.40132	15.8
227.12888	22.6
253.08960	22.0
269.85684	18.8
312.24216	19.5
671.39386	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	673.2514
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46216	0.9
57.00436	1.0
59.01384	7.1
61.98568	1.1
61.98830	11.0
69.03473	2.0
69.19009	3.9
69.19444	7.2
71.01363	4.3
72.99294	1.4
73.02943	2.4
87.00875	2.0
89.02444	2.1
94.06615	5.4
96.96024	1.8
99.00859	1.6
101.02496	1.3
105.01933	1.3
106.06619	1.8
107.03763	18.7
108.04589	1.8
109.02949	1.1
113.02393	2.5
118.00133	1.0
119.03461	1.1
120.04530	2.9
121.02950	1.5
122.02454	1.3
122.06123	81.8
123.03265	2.0
123.06438	3.9
124.04038	3.3
131.50661	1.0
134.06117	8.5
136.04024	4.8
136.05077	1.3
139.02747	6.5
149.62497	1.0
150.05600	3.7
150.06668	1.1
152.07170	100.0
153.07538	4.3
165.09183	1.1
168.06606	2.5
201.11226	1.6
209.11826	8.9
209.53880	1.2
223.08720	1.0
235.08635	1.9
265.09814	1.6
277.09775	3.4
278.10529	1.8
289.09683	1.8
290.10663	1.6
295.09702	1.4
305.09244	1.0
340.10831	1.4
342.08829	1.2
342.12680	1.3
344.13928	1.8
356.10364	1.8
356.14334	2.1
358.12033	2.0
359.13019	1.1
370.11823	3.7
372.13547	3.8
384.13504	3.4
386.11185	4.7
386.15298	4.2
391.15311	1.1
398.11060	1.8
399.12201	3.0
400.12799	2.0
401.13800	2.8
402.14520	3.4
404.16205	5.5
405.16870	1.3
414.14331	6.2
417.13257	4.0
418.12976	1.6
426.14505	3.3
430.13895	1.9
432.15610	25.8
433.16089	4.2
444.15488	11.2
445.15894	2.3
446.17026	2.1
463.17276	1.3
464.17999	6.7
493.27844	1.3
537.21246	1.3
553.24396	3.5
556.23029	2.5
569.24091	5.3
582.20789	1.6
597.23560	96.8
598.23950	16.0
629.26160	55.1
630.26581	11.9
641.22516	51.6
642.22644	7.8
673.25079	50.7
673.36267	7.9
674.25476	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	672.142
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	1.1
59.71279	0.6
61.98830	19.5
65.00314	0.7
69.40718	4.7
71.01357	1.0
83.01388	0.8
107.01392	1.1
109.02943	1.0
109.69302	0.6
121.02980	1.0
125.02459	0.9
134.03754	0.7
137.02498	1.1
149.02472	0.7
151.00378	7.6
165.01956	0.6
175.00380	1.1
178.99847	2.1
193.04996	0.9
195.06717	0.7
199.03929	1.5
226.02716	0.7
227.03429	2.5
243.03047	3.3
255.03000	2.7
271.02469	33.0
272.02869	2.7
283.02509	2.1
284.03064	1.0
285.03964	2.9
299.01962	63.0
300.02597	11.9
301.03525	50.3
301.66998	0.6
302.03918	4.5
313.03464	1.3
330.03183	0.7
343.04620	1.1
445.07581	2.3
446.08441	0.8
447.09396	6.9
462.08005	15.3
463.08762	9.9
464.08939	1.0
524.80524	0.9
609.14575	100.0
610.14923	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	672.142
Annotation	Unknow
Peak:m/z	Relative Intensity
57.94114	0.6
59.01384	1.3
61.98831	10.4
68.00751	0.7
68.15656	0.8
71.01373	1.2
72.99311	1.0
75.00873	1.8
107.01385	1.1
134.03755	1.2
137.99652	0.8
146.47160	1.0
148.16257	0.8
151.00356	3.7
163.00365	1.4
164.07217	1.3
165.01968	0.9
178.99759	1.5
193.05057	1.8
199.04054	0.9
202.51335	0.8
206.08165	1.8
215.03400	0.9
227.03433	1.6
229.05032	1.3
243.02972	2.8
244.03357	0.7
255.02940	2.6
271.02469	37.0
272.02869	3.2
283.15598	0.9
299.01971	74.8
300.02563	11.0
301.03503	33.2
302.03873	2.4
446.08505	25.2
447.09097	13.5
448.03644	0.8
448.09656	1.0
463.08716	7.4
609.14575	100.0
610.14990	14.3
672.21118	1.2
704.49677	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.4012
Annotation	Guineamide D
Peak:m/z	Relative Intensity
50.00270	0.3
52.67545	0.4
57.03438	0.5
59.01377	3.7
61.98832	3.5
67.24090	0.4
71.00363	0.3
71.01395	2.6
72.99306	1.4
73.02950	1.1
76.35108	0.4
78.25171	0.4
84.34232	0.3
85.02951	1.2
87.00917	0.9
89.02436	1.1
96.96017	0.4
97.02962	0.4
98.19862	1.1
99.04558	0.5
101.02455	0.9
105.01929	1.4
113.02462	1.2
117.08121	0.3
119.05081	0.4
123.08157	0.6
125.02464	0.5
125.09716	0.4
135.08179	1.5
136.05368	0.5
137.06010	0.4
139.00374	0.6
142.99977	0.4
147.04527	1.1
148.05267	0.6
149.06076	3.6
150.06865	59.2
151.07182	2.5
160.70528	0.4
161.09706	1.0
162.06828	0.4
163.07660	8.3
164.08414	14.9
165.01894	0.4
169.12314	0.9
171.10286	1.2
172.65128	0.4
176.08324	0.7
177.09116	0.4
178.10016	1.1
179.10770	28.1
180.11159	1.5
185.11885	0.4
211.02451	0.5
289.95056	0.5
295.09747	2.2
296.10233	0.5
311.22296	1.4
327.21848	0.5
327.25467	1.2
329.23306	20.1
330.23584	1.8
448.31830	0.7
463.34299	0.9
473.32880	0.5
475.29205	0.4
491.26770	0.8
491.33673	5.8
492.34650	0.5
494.32129	2.0
508.34085	6.4
509.34814	34.0
510.35138	4.6
523.36877	0.6
551.35938	1.2
611.38409	0.5
671.40149	100.0
672.40387	18.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.1419
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.1
61.98829	21.5
65.55514	0.5
69.45981	3.7
71.01372	0.6
83.01391	0.6
84.05629	0.7
107.01380	1.3
109.02939	1.1
121.02952	1.3
125.02436	1.0
126.37102	0.5
137.02469	0.7
151.00368	6.1
160.07846	0.5
161.02466	0.6
162.68221	0.5
163.00365	0.7
165.05544	0.6
175.00317	1.3
178.99878	1.6
193.05046	1.1
194.05357	0.6
199.03999	1.4
211.04073	0.6
227.03462	1.1
243.02943	1.8
255.02956	2.4
271.02457	33.2
272.02896	2.5
283.02505	2.8
284.03143	1.1
285.04022	3.1
291.35455	0.6
299.01947	64.0
300.02533	10.2
301.03510	46.2
301.08536	0.8
302.03912	3.7
313.03381	0.8
343.04633	0.9
438.84692	0.6
445.07486	1.2
446.08401	0.9
447.09192	8.0
448.09555	0.8
461.04398	0.6
462.08014	14.6
462.14517	0.8
463.08636	9.3
464.09039	0.9
538.89575	0.6
609.14569	100.0
610.05823	1.0
610.14954	12.8
618.26624	0.6
672.20770	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.2678
Annotation	Kamalachalcone A
Peak:m/z	Relative Intensity
54.84360	3.7
59.01366	4.2
61.98833	12.3
78.95925	8.4
98.20731	7.5
132.07817	3.5
152.99678	5.5
227.16257	4.1
251.13824	4.1
255.23419	7.1
262.88660	3.8
278.75436	4.4
279.23346	5.3
671.26831	100.0
672.26953	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	671.3498
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	1.4
56.43622	0.8
57.01621	0.9
58.00579	1.6
58.05994	0.9
59.01382	24.2
61.11655	0.9
61.98821	2.1
67.07706	1.0
71.01379	14.7
72.99295	2.6
73.02939	2.8
75.00870	8.2
81.68098	0.9
83.01400	1.6
85.02969	4.3
87.00880	2.4
89.02444	11.2
95.01357	1.1
96.32040	0.9
98.19887	3.0
101.02444	8.0
108.97772	0.8
109.05252	0.9
113.02457	5.7
119.03504	1.8
120.72411	0.8
139.07547	0.9
171.10255	2.8
185.11864	1.0
201.11319	3.2
215.12842	2.1
229.48201	1.1
285.20636	1.4
301.20236	3.3
327.21625	1.0
332.97400	0.9
345.22623	2.8
355.24823	2.2
371.24286	1.2
373.25958	17.0
374.26208	2.2
391.27066	15.9
535.31439	3.9
552.30560	1.4
553.32281	83.0
554.32617	9.8
671.34930	100.0
672.35132	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	669.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.7
57.03442	1.5
57.72929	0.7
58.00597	1.5
59.01380	33.4
61.98830	15.7
69.03481	1.8
71.01382	24.7
71.55820	1.3
72.01688	0.8
72.99312	6.0
73.02950	3.5
75.00890	1.6
77.65379	0.7
83.01381	0.9
85.02937	6.2
87.00877	4.5
88.98808	1.9
89.02444	34.8
93.03429	0.7
95.01360	1.6
96.96011	1.3
97.02987	1.0
101.01794	1.1
101.02448	16.5
105.01920	1.6
109.02938	1.2
109.06600	0.9
111.00890	1.0
113.02457	10.0
115.00332	0.8
116.92869	0.8
119.03505	15.9
119.04974	1.2
121.02879	1.1
122.03780	0.9
125.02443	1.1
127.00405	1.5
131.03477	2.9
135.04507	0.8
136.05276	2.3
137.02402	1.9
137.06114	1.7
138.06880	0.9
139.00415	0.8
143.03500	3.3
145.02893	1.5
147.04517	2.8
149.04544	1.1
149.06056	3.9
150.06866	9.0
151.03961	1.0
151.07596	0.8
152.17914	0.7
155.10661	0.9
161.04538	4.2
162.06784	0.9
163.07610	3.2
164.08324	1.4
165.01926	1.6
165.09213	1.7
167.10808	1.0
174.42491	0.7
179.05600	9.5
179.07027	1.2
179.10783	4.0
185.00854	0.9
215.12958	4.2
222.59261	1.1
224.04823	1.1
230.36734	0.7
238.06316	1.2
239.10687	1.9
241.14413	1.1
255.10219	5.6
266.05923	1.8
269.11661	2.3
270.12656	1.6
281.17569	6.9
283.09753	21.7
284.10040	2.1
294.08881	2.0
295.09805	8.3
296.10419	3.1
297.11172	1.7
298.12006	3.1
299.18582	10.9
299.56967	0.8
309.11353	1.2
310.12119	2.2
311.09238	61.5
312.09634	6.9
325.10840	8.2
326.11563	45.6
327.11896	2.9
341.13922	100.0
342.14294	9.9
507.33673	14.1
508.33746	1.7
651.34167	1.0
668.36896	0.9
669.25787	2.2
669.37091	16.1
670.36462	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	669.3852
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	18.9
60.99319	1.1
61.98830	18.5
71.01393	6.5
71.55602	1.6
72.99317	3.6
73.02962	1.5
75.64377	1.0
85.02943	3.4
87.00870	3.7
88.98817	2.3
89.02451	3.8
95.01420	1.2
96.95978	1.3
98.20066	1.4
98.20656	1.2
98.83912	1.1
101.02416	2.7
102.56319	1.2
104.68858	1.3
113.02459	2.7
119.03481	1.3
121.02972	3.4
135.08168	5.1
136.05302	1.9
139.00388	1.2
147.04498	2.9
149.06059	2.3
150.06857	46.0
151.07211	1.6
162.06856	1.8
163.07645	9.6
164.08432	12.3
165.09033	1.5
179.10780	30.8
185.11864	3.6
211.02504	1.8
241.97586	1.1
259.84100	1.2
295.09747	7.7
309.20633	1.6
318.08612	1.2
327.21759	18.5
328.21918	1.4
372.90573	1.2
416.67496	1.4
469.43286	1.3
489.32343	3.6
492.31082	2.0
506.32550	3.8
507.33237	36.0
507.40857	2.0
508.33694	4.9
521.34851	1.4
549.33807	1.8
669.38605	100.0
670.38770	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	669.3854
Annotation	Ajugasalicioside F
Peak:m/z	Relative Intensity
54.99203	0.5
57.96085	0.4
59.01381	4.2
61.63267	0.5
61.98824	6.3
70.69659	0.6
70.70004	1.2
71.01386	2.0
72.99308	1.4
73.02938	1.1
76.95966	0.4
81.03477	0.5
82.08229	0.5
85.02953	1.3
85.34543	0.5
87.00898	1.4
89.02434	1.1
96.95988	0.6
101.02374	1.1
101.82323	0.5
101.97096	0.4
110.47980	0.4
111.00906	1.0
113.02445	0.7
123.08181	0.8
125.09725	1.2
135.08162	0.7
136.05348	0.5
137.06154	0.6
147.04469	1.3
149.06087	2.8
150.06859	50.1
151.07259	2.0
157.84373	0.5
161.09708	1.2
162.06891	1.2
163.07640	8.0
164.08408	12.4
165.09042	0.5
171.10245	3.4
175.41013	0.5
177.09100	1.1
178.10002	1.2
179.10777	25.8
180.11073	1.3
185.11798	0.6
207.11855	0.7
211.02496	0.7
277.08691	0.5
295.09756	3.3
296.09766	0.6
320.19870	0.8
324.22186	0.5
325.23679	0.7
327.21747	18.9
328.22064	1.6
335.22043	0.6
364.22366	1.0
489.32336	6.1
490.32385	0.9
492.30930	1.2
506.32355	4.1
507.33246	33.7
508.33478	5.2
521.34888	1.5
549.33887	1.0
565.13330	0.6
638.96478	0.5
669.38550	100.0
670.38898	18.1
695.28937	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	670.1627
Annotation	Unknow
Peak:m/z	Relative Intensity
55.14210	0.1
59.01377	0.7
61.02110	0.1
61.98830	100.0
62.98533	0.2
68.97881	0.1
69.22949	0.8
69.23372	0.3
71.01391	0.5
73.02941	0.3
75.00903	0.1
85.02962	0.2
89.02451	0.3
101.02454	0.2
113.02422	0.2
114.60913	0.1
135.03053	0.2
150.37360	0.1
228.04420	0.2
242.02266	0.3
245.00993	0.2
270.01749	0.8
271.02380	0.2
285.04160	0.4
298.01199	0.2
299.02039	0.2
300.02679	0.8
313.03522	2.6
314.04221	0.3
315.05096	3.5
316.05463	0.3
460.10150	0.7
461.10818	2.5
461.16699	0.2
462.11426	0.4
551.30652	0.8
552.31281	0.5
553.31995	0.6
607.16656	4.3
607.25946	0.2
608.17065	0.7
669.33588	0.3
670.33978	0.8
671.34985	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	670.2354
Annotation	Unknow
Peak:m/z	Relative Intensity
54.65724	0.1
55.86600	0.2
55.91911	0.2
57.03440	0.3
58.23131	0.2
59.01379	2.0
61.98832	100.0
62.98541	0.2
69.03449	0.3
71.01382	1.5
71.55829	0.2
72.99312	1.3
73.02946	0.5
75.00871	0.5
83.01391	0.3
85.02960	0.6
87.00911	0.6
88.98857	0.2
89.02463	0.6
96.40380	0.2
96.96033	0.2
99.00869	0.3
101.02469	0.6
105.01939	13.1
111.00906	0.4
113.02478	0.6
119.03509	0.2
119.05063	0.2
121.02953	0.7
125.02493	0.4
127.00420	0.3
129.01968	0.2
136.05299	0.4
137.02477	0.2
137.06129	0.3
139.00400	0.4
141.01917	0.2
147.04520	1.6
149.06122	0.4
150.06894	0.2
151.07649	0.2
157.01378	0.3
165.01985	0.2
165.05547	0.2
165.09207	0.3
177.09018	0.2
183.02968	0.2
184.35902	0.2
185.00909	0.2
211.02541	0.5
215.13013	0.4
220.99858	0.2
233.09785	0.3
251.10771	0.3
295.09781	2.6
296.10291	0.3
299.18704	0.2
299.44684	0.2
301.20413	0.6
311.09384	0.3
329.14059	0.2
431.18246	0.3
446.20731	0.4
489.19266	0.4
490.19626	2.2
508.30215	0.2
669.36890	0.3
670.25085	0.3
670.35004	1.4
671.36438	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.3905
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69788	0.5
55.01867	2.0
57.03442	0.8
58.00581	2.2
59.01379	39.0
59.06738	0.5
61.98842	3.3
69.03447	2.5
71.01381	35.8
71.55471	0.8
72.01671	0.8
72.99308	3.0
73.02944	6.6
75.00862	1.1
78.95885	0.6
81.03455	1.7
83.01379	4.9
85.02951	8.2
87.00871	8.7
89.02445	32.8
90.70244	0.7
95.01385	3.0
97.02945	6.2
99.00861	2.2
101.02443	30.5
103.04036	0.6
113.02447	13.1
115.04065	0.6
119.03489	8.8
121.03030	0.5
125.02444	14.2
131.03493	1.8
133.05028	1.2
139.03996	1.2
141.01926	0.6
143.03493	7.2
144.03703	0.6
146.96602	0.8
149.04471	1.1
161.04536	7.9
167.03445	1.0
167.25911	0.5
169.04962	0.5
171.10262	2.9
172.08501	0.6
179.05612	6.8
199.06160	0.7
217.07266	0.9
219.05058	0.7
221.06650	2.5
225.20056	0.5
235.08244	12.4
236.08626	0.8
245.06554	1.0
253.09305	3.8
263.07834	1.0
269.24835	100.0
270.25180	8.1
277.00345	0.5
277.09305	0.7
277.21738	1.7
283.26453	0.6
287.07788	3.7
299.04581	0.7
305.08743	3.7
323.09967	1.8
361.11322	0.9
379.12418	1.1
397.13480	89.8
398.13770	7.6
415.14545	31.3
416.14984	2.6
533.00342	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	668.2363
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.3
61.98830	100.0
63.45793	0.3
70.63048	0.9
78.95894	0.7
94.58096	0.3
108.54438	0.3
131.09558	0.3
152.99608	0.5
171.10243	4.2
171.11482	0.3
172.10593	0.5
225.39896	0.3
270.24973	0.3
277.21725	2.4
278.22156	0.7
323.63373	0.3
529.22577	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	668.2363
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	0.4
61.98831	100.0
62.81417	0.3
66.07613	0.2
66.31012	0.3
71.54788	0.4
76.31956	0.3
90.50048	0.3
94.36257	0.3
118.19486	0.4
171.10269	7.1
172.10652	0.9
218.84772	0.3
277.21707	6.9
278.22025	2.3
359.04541	0.3
397.45599	0.3
459.22421	0.3
529.22479	1.8
656.02100	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.2038
Annotation	Unknow
Peak:m/z	Relative Intensity
54.63272	0.8
59.01377	20.0
61.98830	2.1
66.41499	0.8
69.03430	1.2
69.27256	5.0
69.27679	2.8
71.01381	13.0
72.99293	1.5
73.02939	1.9
75.00897	2.2
76.03464	0.8
83.01380	1.4
84.81739	0.8
85.02953	2.8
87.00893	2.8
88.98799	0.9
89.02441	8.1
93.03448	1.6
98.19917	1.3
99.00894	2.0
101.02460	6.5
113.02454	3.8
116.92915	0.9
119.03503	2.6
119.05037	2.1
121.02967	2.8
127.00392	0.9
131.03532	0.9
133.02957	2.5
134.03741	64.4
135.03079	1.0
135.04384	1.6
136.01654	2.9
137.02414	8.9
139.03986	2.3
145.02965	1.6
147.04506	3.1
149.02451	1.4
149.06067	17.6
150.03227	1.5
151.03914	0.9
153.05614	1.4
156.08595	0.9
158.03740	1.3
162.03224	26.1
163.03998	9.0
164.01067	0.9
165.05580	2.1
167.03474	1.4
177.05571	13.4
178.02705	32.7
179.03249	0.9
179.05704	0.9
180.04219	1.0
192.04321	5.0
193.05052	67.1
194.05399	3.5
204.04144	1.0
207.06631	2.5
241.08682	0.9
249.48480	0.9
260.79105	0.9
327.12408	2.3
341.10754	2.2
353.10214	3.3
368.82935	1.0
389.12485	1.2
428.02014	0.9
433.02716	0.9
551.17688	100.0
552.18085	13.6
669.20410	20.2
669.33429	4.1
670.20856	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
57.61235	0.7
59.01372	0.9
70.07283	2.6
70.07688	1.3
71.01385	1.3
75.00880	1.3
75.65170	0.7
93.03481	1.2
117.01939	1.2
117.03478	1.2
121.02934	6.7
122.03755	3.9
133.02917	1.4
134.03745	49.8
135.04070	1.0
137.02438	7.7
139.03998	1.9
149.02438	11.9
149.06082	14.5
150.03229	37.7
151.03741	2.3
164.04796	1.5
165.05569	39.3
166.05904	2.1
175.04115	0.8
178.02713	29.0
178.04279	1.4
179.03036	1.1
180.04279	2.8
191.06996	0.9
193.05049	100.0
194.05353	4.9
195.06613	20.8
235.06158	2.0
250.06407	1.8
281.62665	0.9
282.08929	4.0
297.11328	0.9
341.10303	12.8
342.10614	1.2
365.25998	0.8
389.12427	34.6
390.12701	2.6
405.78226	0.7
445.75836	0.8
458.55185	0.7
468.02350	0.8
507.15195	6.2
508.15155	1.6
549.16608	0.9
551.17590	11.0
552.18152	2.3
669.20349	28.5
670.20471	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	669.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
58.45275	1.5
59.01369	4.1
69.27462	4.8
69.27885	8.1
71.01387	2.5
77.84798	1.4
89.02445	2.4
101.54815	1.6
113.02433	2.4
119.05008	1.5
121.02927	4.7
122.03722	6.4
123.04505	8.2
132.02150	1.9
133.02959	2.9
134.03745	80.6
135.03087	1.7
135.04037	2.2
136.01683	3.2
137.02438	9.2
139.04019	2.3
143.97417	1.8
147.04503	3.6
149.02466	12.3
149.06085	22.2
150.03227	56.9
151.04018	27.4
152.04404	1.9
160.01643	3.8
162.03194	4.2
164.04767	3.0
165.05569	59.7
166.05869	3.6
175.03992	5.1
176.04762	4.5
177.05582	1.8
178.01210	2.2
178.02713	35.3
178.04247	1.8
179.02968	1.6
180.04295	4.0
181.05083	13.8
184.61133	1.5
185.14273	1.4
191.07098	5.1
192.04233	4.7
193.05057	100.0
194.05368	4.0
195.06619	18.8
207.06619	1.8
235.06099	13.3
275.67938	1.4
282.08960	3.8
283.15247	2.1
297.11307	1.8
310.06931	6.0
341.10205	3.4
389.12408	81.0
390.12723	7.2
431.13507	2.1
449.82346	1.6
507.15091	1.6
551.17706	81.0
552.18030	10.3
669.20361	21.8
670.20428	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	667.2397
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41961	0.2
59.01380	2.9
61.98833	2.4
69.03446	0.4
71.01385	1.6
72.99302	0.8
73.02942	0.4
74.19815	0.2
75.78820	0.2
77.03938	0.3
85.02937	0.7
87.00871	0.3
88.98811	0.5
89.02444	0.8
89.25867	0.2
93.03453	0.4
95.01399	0.2
96.96035	0.3
101.02425	0.9
108.02209	0.4
109.06566	0.3
113.02455	0.5
118.81721	0.2
119.03490	0.5
121.02958	100.0
122.03261	3.2
123.04508	0.2
129.45415	0.2
135.02988	0.3
136.01686	0.4
137.06010	0.3
147.04594	0.4
149.06071	0.3
151.04045	0.3
163.07657	0.4
189.05608	0.4
190.06335	0.4
223.82941	0.2
229.24176	0.3
295.09787	1.0
324.19308	0.3
326.11661	1.2
341.13864	3.5
342.14325	0.4
368.43912	0.3
403.79987	0.3
463.17630	19.8
464.17990	2.6
505.32016	0.4
623.36542	0.5
625.36938	0.3
667.37170	3.8
668.39172	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.2388
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43958	0.4
59.01106	0.7
59.01383	10.9
60.52519	0.4
61.98840	3.3
69.03454	0.4
71.01382	2.0
71.12209	0.9
72.99321	1.2
74.05576	0.4
85.02949	0.8
87.00884	1.5
88.98788	0.5
89.02458	1.8
96.96045	0.7
99.00912	0.6
101.02454	1.0
109.02876	0.4
113.02459	1.2
114.90336	0.4
119.03489	0.7
121.02961	100.0
122.03294	3.1
123.04439	0.5
136.01706	0.4
147.04498	1.0
150.06934	0.6
170.58534	0.5
179.05603	0.6
195.52702	0.4
205.08696	0.7
209.54926	0.4
233.09724	0.4
295.09814	1.6
326.11557	0.8
341.13843	3.3
463.17673	16.7
464.17865	2.3
481.61575	0.5
505.32208	0.6
623.10559	0.5
667.38147	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	667.3699
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.8
57.03442	2.5
59.01383	23.0
61.98841	5.9
69.03449	2.0
69.35693	5.7
71.01383	17.9
71.59058	0.6
72.99310	2.8
73.02966	3.7
73.03292	0.7
75.00871	2.7
83.01404	3.4
85.02954	8.3
87.00871	3.6
88.98789	1.2
89.02452	9.8
95.01416	1.6
96.96021	1.0
97.02954	0.8
97.08063	0.7
99.00879	1.2
101.02449	10.0
105.01967	1.1
107.05013	1.3
109.06599	19.7
110.39197	0.6
113.02470	6.6
116.92783	0.6
119.03500	1.9
119.05074	1.5
121.02949	1.8
125.02413	1.2
147.04515	2.3
150.06857	0.7
157.01414	0.8
161.04605	0.7
163.04048	1.2
175.02396	0.9
185.01125	0.7
201.74548	0.7
256.93881	0.6
295.09879	2.3
301.03662	0.7
311.09280	3.0
313.25388	0.7
327.26968	2.0
399.29041	1.9
443.31683	2.9
461.33157	1.6
522.32220	0.7
623.37793	9.9
624.38025	2.0
667.37036	100.0
668.37268	18.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.37
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42459	0.6
55.01877	1.2
57.03427	2.1
58.00575	0.9
59.01378	22.8
61.98830	9.4
66.34225	0.5
69.03439	1.1
69.46781	3.5
71.01006	1.0
71.01380	17.4
71.09851	0.5
72.99294	2.6
73.02945	4.1
75.00847	1.0
77.84314	0.6
81.98859	0.5
83.01383	2.3
85.02950	6.7
87.00863	2.6
88.98798	1.3
89.02449	9.3
90.23230	0.6
93.03416	0.6
95.01386	1.7
96.96011	1.3
97.02890	1.2
99.00873	2.0
101.02448	11.8
105.01929	0.7
107.05043	1.6
109.05898	1.1
109.06587	15.3
111.00912	0.9
113.02448	5.9
116.92847	0.7
119.03487	3.1
119.04961	0.7
121.02960	4.3
125.02379	0.9
144.90170	0.6
147.04472	1.6
150.06842	0.8
151.03993	1.5
157.01263	0.6
161.04507	1.0
163.07680	0.9
174.00797	0.6
175.02480	0.7
179.10718	0.7
179.47591	0.5
195.08292	0.7
211.02299	0.7
295.09796	3.9
300.02631	0.9
311.09393	0.7
313.25494	1.3
333.09421	0.7
333.21054	0.6
341.28522	1.1
357.13809	0.7
385.27444	0.9
403.17719	0.7
443.31909	0.9
445.18530	2.1
461.32709	2.2
505.31995	1.6
509.83804	0.6
623.37994	11.4
624.38446	1.5
667.36951	100.0
668.37354	17.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.3026
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.0
56.33730	0.4
57.03447	1.6
58.00592	4.4
59.01380	94.3
60.01719	1.2
60.51826	0.5
61.98822	0.7
69.03448	0.8
69.47557	1.7
69.47987	1.6
71.01383	68.5
72.01721	0.6
72.99312	6.0
73.02950	6.3
75.00875	0.6
79.76265	0.4
83.01402	2.2
85.02953	10.4
85.65694	0.4
86.00117	0.5
87.00871	6.5
89.02447	100.0
90.02801	1.6
93.43567	0.4
95.01366	2.9
96.96001	0.9
97.02974	1.0
98.20673	0.8
99.00874	0.9
101.02444	41.6
102.02834	0.6
111.00904	0.6
113.02453	18.1
119.03504	18.1
125.02451	1.2
129.01886	0.7
131.03506	24.5
135.03004	0.7
143.03516	3.7
149.04555	58.1
150.04901	1.1
161.04565	3.7
165.05510	0.4
179.05608	7.8
185.00948	0.6
191.05615	10.3
249.45804	0.5
293.08676	0.5
311.09744	1.6
485.23785	2.3
524.87689	0.4
665.30396	1.2
682.85858	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.3545
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22069	0.6
55.29469	0.5
57.03421	1.0
58.00571	1.0
59.01381	31.3
59.79020	0.5
60.01697	0.6
61.98834	18.5
64.88486	0.5
69.03435	0.9
71.01382	18.1
72.99306	2.4
73.02946	1.4
75.00912	0.7
83.01382	1.6
84.26097	0.6
85.02933	4.2
87.00882	1.9
89.02444	14.1
90.89507	0.6
95.01391	1.9
96.96017	0.7
99.00887	0.8
101.02441	10.2
105.01852	0.6
107.05028	1.9
109.06593	19.5
109.54561	0.5
113.02440	6.4
116.92886	0.6
119.02777	0.6
119.03498	3.6
121.02901	0.7
125.02430	0.5
127.00430	0.9
135.02972	0.8
147.04514	1.4
150.06839	1.0
153.70023	0.6
179.05667	0.6
189.52542	0.6
295.09702	2.4
298.72119	0.7
329.84180	0.7
369.27936	6.4
392.13336	0.8
397.31097	6.4
398.31314	0.8
401.26602	0.7
423.29028	1.7
438.02356	0.7
441.30124	14.4
442.30508	2.5
463.08731	0.7
621.36481	1.9
665.35443	100.0
666.35828	19.0
688.62860	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	666.4013
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
70.38417	1.8
70.38808	1.7
72.98753	0.7
82.73353	0.7
126.89214	0.8
133.03030	1.3
161.02394	2.1
254.22215	0.7
316.34988	0.8
603.40503	8.1
604.40625	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	667.1514
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	1.6
60.99308	15.9
69.52711	2.2
71.01399	0.5
72.99317	0.6
73.40201	0.3
75.18912	0.3
80.92414	0.3
86.79726	0.3
87.00872	0.7
88.76321	0.3
88.98808	100.0
89.99127	0.9
90.21917	0.3
101.02482	0.5
111.25009	0.3
117.76904	0.4
124.11173	0.3
130.07597	0.4
177.44788	0.4
184.45609	0.3
197.06073	0.9
285.04175	0.7
361.09369	0.7
449.10953	0.7
509.41165	0.4
549.29132	1.0
577.15125	0.5
667.32349	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	3.3
59.01383	31.4
61.98829	9.5
67.09555	1.9
69.03442	2.5
69.30721	17.3
71.01392	15.4
72.99299	7.8
73.02966	9.5
75.00876	4.5
75.18999	2.1
83.05048	1.9
85.02956	4.8
87.00884	4.6
88.98777	2.7
89.02448	8.2
96.84206	2.1
101.02434	8.2
101.10006	2.1
113.02441	7.1
127.72662	1.9
134.03696	2.2
135.02994	3.6
137.02408	4.2
147.04436	3.0
151.04001	5.1
157.08647	2.2
161.04611	2.0
163.03989	4.7
174.03195	4.3
175.03993	12.7
176.04675	2.7
177.01921	5.3
177.05457	3.1
180.04268	6.5
188.04794	2.7
189.05536	6.3
190.06409	17.9
191.07124	13.1
193.05042	15.4
194.05775	7.5
205.08617	13.8
207.06645	5.4
208.07376	11.9
222.08878	2.6
356.43405	2.2
374.13605	3.0
389.16061	100.0
390.16470	11.4
419.16681	3.0
477.23306	5.2
494.92352	2.1
505.56473	2.1
549.29144	19.1
550.29401	3.3
563.30176	5.7
581.31116	4.3
667.32153	25.7
668.31726	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	665.3028
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26091	1.9
55.01867	4.0
57.03437	3.6
58.00587	3.8
59.01382	99.3
61.98857	2.9
67.07898	2.0
69.03456	3.0
69.27321	20.2
71.01005	4.0
71.01383	64.5
72.99305	25.4
73.02936	13.5
75.00885	3.0
75.37366	1.9
83.01380	5.9
85.02956	25.6
87.00879	10.8
89.02452	37.7
91.72025	2.0
95.01395	6.1
98.20625	3.2
99.00893	5.4
101.02451	34.8
111.00893	2.1
113.01717	2.7
113.02457	34.9
119.03516	10.8
123.93922	1.9
125.02447	7.6
135.02992	2.9
143.03491	6.9
147.04459	2.7
151.04013	2.9
157.01492	2.4
159.02956	2.2
161.04620	12.7
166.02760	3.1
179.05661	3.4
181.05074	4.2
311.09265	14.5
345.09906	2.5
387.14386	3.6
388.14951	2.8
399.23990	8.1
412.13794	2.3
417.25287	11.1
429.11777	2.8
561.29169	100.0
562.29895	14.5
579.30176	70.7
580.30688	10.9
621.31445	15.4
645.65027	2.4
665.32880	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	665.3022
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04221	2.3
55.01871	3.4
57.03441	3.4
58.00589	2.2
59.01378	100.0
61.98839	2.6
69.61634	14.9
71.01382	63.3
72.99306	11.4
73.02938	16.9
75.00861	4.0
83.01372	6.8
85.02948	25.4
85.55811	2.5
87.00861	7.7
87.04487	2.7
89.02439	29.3
95.01395	5.1
98.19917	3.9
99.00910	3.1
101.02441	31.5
111.00868	3.0
113.02441	29.1
119.03475	7.5
125.02417	6.0
135.03012	4.6
143.03531	2.0
161.04517	6.5
177.77390	2.3
179.05620	3.5
183.02916	2.1
187.54996	2.0
197.09677	6.7
211.07603	5.6
297.91974	2.3
301.10724	9.1
345.09546	2.9
361.80447	2.4
399.23727	8.4
417.24731	10.5
485.23615	2.7
547.27521	2.3
561.29095	93.3
561.37714	4.8
562.29303	14.5
579.30139	73.8
580.30334	10.7
621.31061	17.9
622.31183	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.2456
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04011	1.4
56.12829	1.1
57.03420	1.3
59.01379	62.6
61.24818	1.1
61.98824	9.5
70.33671	4.3
71.01376	11.4
71.58984	1.2
72.99311	2.7
73.02946	9.9
83.01380	2.9
85.02947	2.1
87.00858	2.5
89.02439	3.1
96.95982	1.8
99.00883	1.6
99.04432	1.2
101.02441	10.7
113.02439	4.9
119.03545	2.3
121.02953	100.0
122.03265	3.2
139.00363	1.4
147.04465	1.5
160.75288	1.3
161.04529	3.4
161.06058	1.7
163.04018	1.6
175.07607	1.5
191.07068	1.7
193.88205	1.3
203.07162	12.2
208.80615	1.1
227.12749	1.7
235.13333	2.5
243.10191	3.4
265.35696	1.2
279.12271	3.3
295.09753	3.4
303.12314	3.5
304.55399	1.3
321.13324	4.6
386.19034	1.2
522.32288	1.2
544.06622	1.4
560.16821	1.3
629.38989	2.2
665.36060	6.7
685.43860	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.3025
Annotation	Unknow
Peak:m/z	Relative Intensity
54.48646	2.4
55.01881	5.0
57.03448	4.0
59.01380	100.0
61.98830	7.1
69.03455	5.0
71.01379	51.9
71.63361	2.3
72.99316	11.6
73.02952	12.2
75.00882	4.8
83.01377	8.5
85.02948	21.5
87.00881	11.6
88.82872	3.1
89.02442	28.5
95.01395	7.3
96.96011	4.1
97.02924	3.3
99.00904	5.3
99.04515	2.6
101.02442	30.4
102.98583	4.4
104.53657	2.4
105.01945	2.7
111.00876	2.9
113.02454	29.9
119.03508	7.6
119.05016	6.4
119.31766	2.3
125.02402	6.1
130.56360	2.7
131.03468	3.2
135.03006	6.6
136.99135	2.6
143.03494	5.0
161.04526	5.2
179.05640	3.5
185.00877	4.1
197.09712	3.5
301.10846	7.6
311.09402	3.6
321.36197	2.4
323.11484	3.1
327.08829	4.9
345.09622	4.3
375.53360	2.8
412.33633	2.6
417.24869	4.8
441.30280	3.0
483.34314	2.7
485.24158	2.5
503.25156	13.8
521.26105	7.3
547.27716	6.9
561.29163	77.7
562.29401	10.9
579.30225	61.9
580.30481	8.8
621.31061	9.4
665.30829	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	664.42
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01436	0.8
61.98822	6.2
78.95905	24.4
96.96947	1.6
112.03402	1.1
116.92812	1.0
122.00108	2.1
138.01231	1.2
140.01186	9.2
152.99582	3.5
153.88292	0.9
156.05804	1.0
165.12856	1.9
167.14413	41.4
168.14719	2.4
196.03767	8.4
211.13388	48.8
212.13730	1.9
229.14418	100.0
229.80106	1.0
230.14752	5.3
255.23318	23.3
256.23642	1.9
272.18616	4.1
296.15765	1.0
408.18082	8.8
452.27798	3.7
506.56161	1.2
664.41949	64.3
665.42065	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	665.2451
Annotation	Unknow
Peak:m/z	Relative Intensity
55.99569	1.1
58.00602	1.3
59.01381	44.9
61.98835	3.6
63.63634	1.2
69.03459	2.6
71.01383	18.9
72.99308	11.9
73.02936	4.3
75.00868	1.7
75.60063	1.1
83.01404	2.6
85.02936	7.6
87.00869	4.5
89.02471	9.6
90.98599	1.6
93.03436	1.9
95.01356	1.9
96.96030	3.8
97.02967	1.5
99.00832	1.7
101.02417	10.3
105.01912	1.9
109.02983	2.1
113.02462	9.4
119.03490	4.0
119.05000	2.5
119.14604	1.2
121.02940	4.8
122.03735	1.8
123.00910	2.3
123.04489	2.0
125.02466	1.8
132.38797	1.3
133.02893	1.2
135.02957	2.1
136.00603	2.3
136.01659	47.4
137.02483	8.0
139.00278	1.3
139.03981	1.8
143.03532	1.6
143.04984	2.5
147.04529	2.5
151.00357	14.3
151.04002	62.3
152.01114	1.5
152.04509	4.2
157.01447	1.7
159.04541	1.4
161.02423	1.8
161.04539	1.6
165.01836	1.4
166.02711	39.4
167.03156	1.5
175.04027	4.4
175.07610	1.9
176.04813	1.5
177.01933	2.5
181.05066	47.8
182.05365	1.8
183.02979	1.5
189.05569	2.4
190.06287	5.1
191.03500	4.2
205.05058	3.4
205.08705	2.0
206.05841	4.8
219.06328	1.9
221.08131	2.8
235.06134	1.7
249.09242	1.5
295.09775	1.5
311.09296	8.8
327.08990	1.8
329.10373	2.7
342.10919	1.9
345.09885	3.5
357.09689	12.4
357.13535	7.4
369.13428	9.2
372.12198	11.7
387.14478	100.0
388.14731	9.8
417.25131	1.5
461.18228	2.0
547.27582	3.0
561.28894	13.1
562.29041	2.6
575.21252	4.0
579.29834	9.1
587.21161	5.7
593.22443	2.3
605.22357	29.9
606.22595	3.7
621.30908	2.9
623.23413	15.8
665.24969	4.9
665.35107	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	660.4245
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38733	0.3
54.23675	0.3
59.01377	0.7
61.98824	1.0
62.42492	0.3
70.02316	1.6
76.03902	0.4
78.95903	10.8
85.85117	0.4
86.16216	0.3
98.19903	0.4
122.00140	0.9
140.01180	3.9
152.99559	0.9
155.14400	3.9
183.13934	1.6
196.03842	2.6
199.13434	0.7
201.14951	100.0
202.15303	5.1
242.10818	0.3
247.49741	0.4
256.57605	0.3
269.40448	0.4
279.23273	31.5
280.23590	3.0
331.34000	0.4
380.18372	0.8
398.19244	0.6
458.26755	0.9
476.27686	2.6
660.42413	20.9
661.42749	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	663.193
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82832	0.7
54.79899	0.7
57.03451	0.8
59.01379	50.1
59.97966	0.7
69.03433	1.0
69.19485	5.3
69.19919	2.7
69.42834	0.8
71.01383	10.7
72.03767	0.8
72.99313	1.8
73.02978	3.7
75.00893	0.9
83.01383	1.3
85.02964	3.3
87.00884	1.4
89.02438	6.1
95.01377	1.3
99.08163	14.9
101.02428	7.0
113.02451	6.2
119.03506	3.0
127.07656	11.6
135.03024	1.0
145.08704	100.0
146.09026	2.4
149.58752	0.8
161.04581	2.4
179.05597	1.2
187.09743	39.0
188.10091	1.8
255.03015	1.1
273.23151	0.8
284.03220	2.1
285.03909	2.0
363.35672	0.8
386.12753	0.8
431.09570	1.7
432.09921	0.9
456.60422	0.9
543.28168	1.6
559.27667	3.0
561.28931	4.1
577.29047	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	663.2871
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04922	1.3
55.01887	1.8
55.26254	1.4
57.03448	3.2
58.00595	3.7
59.01380	100.0
61.98827	3.4
69.03436	1.3
69.70614	8.3
71.01380	56.0
72.99310	8.5
73.02946	13.0
81.29321	1.2
83.01397	7.1
85.02952	16.6
87.00881	6.9
89.02445	52.6
95.01392	5.3
96.96008	2.8
97.02956	2.4
99.00891	1.9
99.04556	1.4
101.02434	35.6
103.00349	2.3
113.02447	36.2
114.02765	1.5
119.03503	24.1
125.02453	2.1
131.03517	5.6
135.03032	3.7
139.33514	1.4
141.96873	1.3
143.03516	5.2
149.04704	2.2
161.04541	12.2
161.13364	4.0
165.04128	1.3
179.05614	16.1
187.11336	3.4
205.12271	8.5
207.05090	2.0
249.11363	11.2
303.15662	1.8
305.05740	1.5
415.23779	1.8
423.19138	1.4
429.17654	7.1
483.22278	5.7
515.24963	1.6
559.11383	1.4
559.27637	22.9
560.28076	2.9
577.21307	1.9
577.28790	31.9
578.28876	5.5
619.21704	7.4
619.30780	3.7
637.14001	1.7
645.38757	1.6
663.29181	4.7
663.39984	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	664.2096
Annotation	Unknow
Peak:m/z	Relative Intensity
56.33885	0.2
57.32860	0.2
59.01363	0.3
60.84672	0.2
61.72353	0.2
61.98829	100.0
62.98518	0.2
67.07903	0.2
67.28633	0.2
69.42125	1.3
71.01353	0.3
72.99303	0.2
87.00871	0.2
96.96024	1.1
115.04086	0.2
125.02445	0.2
137.02449	0.4
157.53764	0.2
160.14879	0.2
164.01382	0.2
258.86734	0.2
343.60248	0.2
384.89816	0.2
441.51541	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.432
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01706	1.0
61.98832	3.4
65.82990	0.9
70.46098	0.7
71.54576	1.3
78.95904	1.0
80.41445	0.8
101.21816	0.7
101.44667	0.8
102.42053	0.8
106.95011	0.8
199.13367	1.7
200.13806	1.2
260.54587	0.8
262.48978	1.0
337.40829	0.9
349.20673	0.8
541.38074	0.8
601.14703	1.0
623.41583	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.3496
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29243	0.6
53.93042	0.6
54.49529	0.9
59.01379	100.0
60.75086	0.6
61.98834	2.8
62.73482	0.7
71.10295	1.5
78.95915	1.1
80.05028	0.6
80.96539	0.8
84.48929	0.7
86.95461	0.7
95.26315	0.6
104.63271	0.7
138.14204	0.7
140.84366	0.7
141.01703	79.0
142.01996	1.8
279.23297	4.6
504.31232	3.4
515.47174	0.8
523.55920	0.7
538.86768	0.8
578.27344	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.2557
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07152	1.3
55.01881	1.2
55.95840	1.2
57.03446	1.3
59.01381	46.5
61.98832	7.0
62.37814	1.3
69.03465	2.6
71.01383	27.9
71.56019	1.1
72.99313	4.2
73.02557	1.7
73.02951	31.9
75.00858	2.6
83.01394	7.4
85.02947	5.3
87.00864	4.7
89.02438	8.0
89.65936	1.3
95.01362	1.5
95.45054	1.0
96.95997	2.3
97.02963	2.4
99.00873	2.8
101.02456	20.3
109.02905	1.7
109.41817	1.2
111.04562	1.1
113.02483	10.0
115.00314	1.4
116.47352	1.0
119.03471	3.2
119.04987	2.6
123.04588	1.2
125.02438	2.6
129.01994	1.3
131.03542	1.7
135.08147	1.9
137.02379	2.0
139.00386	1.9
143.03549	2.2
145.59715	1.6
147.04482	1.2
149.04533	2.6
161.04564	3.4
165.01907	2.5
179.05571	1.5
185.00977	1.5
187.09915	1.3
187.14893	2.9
202.98863	1.3
209.06723	1.6
231.13896	81.2
232.14253	5.4
311.09119	2.1
321.04071	2.5
350.04309	3.2
411.20172	4.4
453.21295	100.0
454.21625	12.1
479.20810	2.0
479.30093	2.7
617.31836	2.1
659.16437	1.9
659.26831	4.2
659.35931	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	659.2556
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84429	1.0
55.01847	1.1
57.03434	1.4
58.00606	1.0
59.01380	100.0
61.98826	2.6
69.03451	1.7
71.01383	28.9
71.32174	2.2
71.32534	0.9
72.99323	1.4
73.02944	23.3
75.00859	1.1
81.11986	0.8
83.01389	7.0
85.02946	7.0
85.45348	1.0
87.00865	2.7
89.02440	13.7
93.38944	0.9
95.01408	2.3
96.96004	2.3
97.02890	1.2
99.00854	1.6
99.04559	0.9
101.02441	26.8
111.00895	1.6
113.02451	12.0
113.45010	0.9
119.03495	5.5
119.04984	2.2
125.02448	1.8
129.01947	1.2
135.02933	1.4
143.03471	2.4
149.04495	2.9
161.04568	8.9
165.01898	2.2
179.03416	1.1
179.05649	1.0
185.00981	1.2
221.06676	1.4
231.13879	2.2
249.14980	3.3
283.02240	1.2
295.09613	2.2
311.09100	1.5
350.04205	2.2
367.21182	7.9
393.19189	2.6
411.20297	8.8
412.20865	1.3
419.47070	1.0
453.21283	57.7
454.21716	6.1
496.63754	1.0
656.26526	1.0
659.27338	3.6
659.36627	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	658.4092
Annotation	Unknow
Peak:m/z	Relative Intensity
58.17320	0.3
59.01366	0.3
60.62571	0.3
61.44415	0.3
61.98827	0.4
69.82970	1.6
75.04398	0.3
78.95909	9.4
100.42911	0.3
115.35866	0.3
122.00138	0.8
132.99245	0.3
140.01196	4.5
152.99608	0.3
155.14424	0.7
181.12352	1.1
196.03853	1.8
199.13399	100.0
200.13734	4.7
263.67984	0.3
279.23306	30.8
280.23688	2.8
378.16949	0.7
396.17682	0.7
420.10324	0.3
420.18036	0.3
458.26651	0.9
476.27771	4.3
477.27902	0.4
553.55463	0.4
658.40900	12.2
659.40997	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	659.0155
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	61.9
60.14820	0.4
61.98830	1.5
70.81882	0.8
70.82219	0.9
76.02206	0.4
90.97150	1.0
99.13342	0.4
105.12186	0.4
118.96614	0.5
132.98215	2.0
135.03479	0.4
140.07274	0.4
142.98201	0.4
150.94794	1.0
157.03545	1.7
159.01628	0.7
174.99239	23.6
175.99641	0.7
192.95837	6.9
201.02538	14.6
201.04327	1.0
202.02748	1.6
210.35684	0.4
217.00288	100.0
218.00610	3.1
257.20398	0.4
343.03665	2.1
343.73471	0.4
359.01459	29.1
360.01624	3.2
374.99194	50.5
375.99615	2.5
517.00385	7.4
518.00629	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	658.1262
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87690	1.1
53.61702	1.0
56.77492	1.1
59.01373	2.3
61.98830	48.8
62.75690	1.0
63.99255	3.0
69.51600	8.6
75.00871	4.4
98.19917	2.5
108.02203	2.3
111.05240	1.2
151.00385	5.1
178.99849	2.2
202.45145	1.1
227.03375	1.6
237.46078	1.2
243.02980	7.0
255.02997	20.5
256.03421	3.8
271.02475	44.9
272.02908	5.0
283.02481	3.9
284.02835	3.5
285.03778	4.1
286.04184	2.6
287.04477	2.2
299.01978	2.4
300.02737	100.0
301.03287	13.1
432.09689	2.0
439.20871	1.3
449.09808	2.2
595.13116	87.5
596.13470	14.3
654.27808	1.3
657.36157	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	658.4084
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59584	0.5
53.74833	0.5
57.35182	0.5
59.01364	1.0
61.32015	0.5
61.98826	2.5
71.11974	1.2
72.01582	0.5
78.95897	11.1
122.00148	0.9
140.01201	4.3
152.99564	1.8
155.14392	3.9
183.13901	1.6
196.03806	2.1
201.14955	100.0
202.15279	6.2
277.21716	24.7
278.22092	2.1
442.65298	0.6
456.25531	0.9
474.26279	3.4
516.62921	0.5
535.71460	0.6
573.29602	1.8
658.40906	16.5
659.40997	3.1
688.09644	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.349
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	4.4
59.33310	0.5
61.98827	4.4
69.03452	0.7
69.38744	3.7
71.01392	3.3
73.02933	0.7
74.45754	0.6
78.32800	0.6
81.03450	0.8
82.63229	0.5
83.05032	3.1
85.02982	0.7
87.00879	0.9
89.02441	1.8
97.02955	0.5
101.02438	3.1
113.02430	1.5
115.03983	0.5
122.29025	0.6
140.61537	0.7
161.04565	1.3
163.11310	3.0
165.12814	2.1
167.10728	0.5
171.10258	1.5
183.13878	6.9
191.10838	0.8
193.12343	1.8
209.11818	83.5
210.12187	3.8
211.13382	100.0
212.13716	5.9
227.12883	11.1
228.13174	0.6
235.08257	2.9
247.13428	0.7
249.14961	1.3
253.09258	8.7
271.02475	0.7
283.15567	1.9
286.98764	0.7
298.09464	0.6
300.02756	0.9
403.24774	0.8
445.20444	0.9
447.22440	3.5
594.15466	0.6
595.13043	0.6
621.32593	1.1
639.33929	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.3853
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01616	0.7
57.03458	0.9
59.01377	9.7
61.98830	23.6
71.01386	5.3
71.49184	1.4
72.99306	1.7
73.02942	2.5
75.00864	1.4
83.05072	0.7
85.02941	2.3
87.00876	2.0
89.02442	2.3
95.01356	0.9
96.96017	1.7
97.84770	0.6
99.04560	1.0
101.02435	1.8
105.01935	2.6
111.04514	2.2
113.02457	1.6
121.02950	1.2
121.06602	3.4
122.03761	1.3
123.04504	0.9
123.08157	1.7
135.03033	0.8
135.04530	2.6
135.08125	1.0
136.05295	44.7
137.05742	1.3
141.01999	1.0
147.04483	1.9
147.08153	1.7
148.05258	1.3
149.06047	5.9
150.06860	7.8
151.00453	0.8
157.01401	0.9
162.06839	2.0
163.07668	3.1
164.08438	3.0
165.09200	53.0
166.09543	2.4
167.07094	0.9
169.12305	0.8
179.10718	0.9
185.11781	1.5
209.11803	2.5
211.13383	2.6
222.57907	0.8
233.09785	1.5
271.02432	1.4
279.74466	0.7
284.03122	1.1
295.09775	5.7
300.02780	2.5
311.22293	1.9
329.23312	28.1
330.23828	2.3
447.09579	1.7
477.32675	8.9
478.32465	1.8
494.32529	3.4
495.33246	36.2
496.33743	4.1
537.34302	0.9
594.15717	0.9
595.13995	1.1
657.38593	100.0
658.38892	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	657.1524
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30930	3.0
57.03454	3.6
59.01376	21.5
60.99294	4.1
61.98580	3.3
61.98833	35.0
63.96245	3.4
66.01240	2.8
68.99815	6.4
69.03459	6.2
71.01386	27.4
71.54897	5.0
72.99310	16.2
73.02937	7.0
74.99082	9.6
75.00886	7.4
83.01390	14.9
83.05048	3.1
84.41206	2.6
85.02959	11.5
87.00880	46.9
88.98813	26.6
89.02466	7.4
97.02959	5.4
99.00880	22.6
101.02438	10.7
109.02953	4.2
111.00882	15.6
113.02442	9.7
115.00363	10.8
117.07117	4.6
119.05018	6.9
121.02944	3.9
125.02457	6.7
127.00375	100.0
129.01958	21.2
135.98349	4.8
136.99113	6.8
137.02429	8.4
139.00336	5.3
141.01933	6.6
147.04648	3.0
149.02405	3.4
149.05988	3.2
149.95146	3.0
150.03233	4.0
151.00337	4.2
151.03993	3.3
153.01883	4.3
157.01422	40.2
163.03992	8.5
165.01935	10.0
169.01381	13.1
169.45241	3.0
175.02513	19.5
180.04402	5.8
181.01393	4.9
183.10251	8.4
195.06618	15.1
199.02460	23.4
225.07687	8.9
227.09216	11.7
229.03503	26.4
247.04697	4.4
257.03131	5.4
287.04050	28.8
288.04233	3.7
305.05133	13.5
313.59595	3.1
319.06778	19.5
319.78210	3.0
337.05609	3.5
439.75214	3.8
657.19440	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	657.1519
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01905	5.4
59.01384	26.8
61.98835	49.3
68.19373	3.6
69.03461	4.9
71.01385	31.2
71.55149	4.8
71.55534	4.9
72.99302	21.3
73.02946	7.1
74.99087	6.1
75.00875	7.5
83.01407	12.7
85.02963	9.3
87.00884	42.5
88.98795	11.4
89.02434	10.4
95.01414	3.9
97.02963	4.9
99.00898	17.1
101.02451	11.6
105.02002	4.0
111.00881	13.1
113.02460	7.2
115.00349	7.5
117.02032	5.0
122.76734	3.8
123.00967	4.3
125.02477	8.3
127.00375	100.0
129.01939	18.5
135.98355	5.8
136.99110	5.6
137.02448	6.4
139.00432	5.2
141.01996	7.8
150.03218	6.8
151.00305	5.9
154.99831	6.3
157.01413	30.4
165.01955	13.4
165.05559	6.1
167.03502	5.9
167.78102	4.2
169.01443	16.1
174.42693	3.8
175.02484	18.0
180.04265	11.4
195.06631	16.3
199.02504	17.7
225.07689	8.2
229.03403	22.3
257.03033	7.0
271.02472	7.7
287.04181	30.5
299.01984	17.6
301.03577	5.0
305.05145	12.4
307.14066	4.4
319.06647	21.2
595.13171	32.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.1469
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51616	0.2
54.26765	0.2
59.01366	0.7
61.98829	100.0
62.98540	0.3
67.54468	0.2
69.03439	0.2
69.65863	0.7
69.66288	0.6
71.01372	0.3
85.02442	0.2
85.55254	0.2
87.00895	0.3
88.98812	0.8
151.00343	0.3
151.04054	0.2
165.01988	0.4
195.06677	0.5
206.08202	0.3
211.04140	0.2
213.05687	0.3
222.10095	0.2
225.07718	0.3
227.03592	0.5
242.39339	0.2
255.02965	3.1
256.03275	0.3
283.02460	7.6
283.05475	0.4
284.03055	1.1
285.04041	13.2
286.04340	1.1
327.05304	0.3
431.09875	1.4
446.08401	1.1
447.09210	2.6
509.18109	0.2
586.45734	0.2
589.57941	0.2
593.15082	11.3
594.15472	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.1467
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	5.3
61.98829	49.1
62.97248	0.5
69.03467	0.7
71.01394	3.0
71.55579	0.9
72.99302	1.2
73.02958	1.2
75.00871	3.8
85.02956	0.9
87.00876	1.1
89.02425	1.4
93.03471	1.3
93.39854	0.6
97.02953	0.6
100.04164	0.5
101.02430	1.9
107.01378	1.7
109.02924	0.7
113.02419	1.2
114.63231	0.6
119.05045	0.6
123.00743	0.6
124.61021	0.5
135.00888	1.3
143.04977	1.0
151.00327	0.7
153.01927	1.2
159.04504	1.1
163.00362	2.6
167.04985	0.9
169.06694	0.6
179.08849	0.6
185.06108	3.1
187.03996	3.1
189.05557	1.4
197.06068	0.8
199.03891	0.7
211.03960	1.6
213.05550	2.1
227.03477	7.5
229.05031	14.8
239.03506	1.6
240.04182	1.2
241.05016	1.9
255.02971	6.6
256.03589	1.7
257.04556	7.7
267.02917	1.4
284.03265	6.3
285.04025	100.0
286.04410	7.3
370.34488	0.6
375.27393	1.5
398.68509	0.6
450.01331	0.6
531.28882	0.6
537.32794	9.1
538.33014	6.6
593.15100	69.9
594.15491	9.3
655.35577	4.6
656.35754	4.8
657.36438	0.9
677.48999	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.2665
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	10.7
71.54949	1.8
78.95902	58.6
83.11610	1.4
88.80627	1.6
96.96950	11.5
118.70490	1.4
125.66790	1.2
137.06216	1.4
145.64500	1.4
150.97951	1.6
152.99585	50.5
211.86346	1.3
218.29443	1.3
224.09222	1.3
241.01181	29.6
255.23305	57.0
256.23715	6.0
277.21741	1.5
285.52518	1.6
315.04807	7.7
411.04227	1.3
447.70322	1.5
555.28510	2.9
571.28864	100.0
572.29156	12.2
656.26440	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.3932
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75543	0.3
59.01361	0.6
61.98829	2.2
70.55553	1.1
71.01382	0.7
73.03007	0.3
78.95906	11.2
78.96378	0.5
78.98589	0.5
79.95728	0.7
80.96517	5.1
94.98093	0.8
98.10674	0.3
99.73209	0.4
99.92567	0.6
104.36771	0.3
115.92085	1.4
116.92123	0.6
116.92874	1.6
122.00124	1.0
128.03741	0.3
132.42845	0.3
134.97559	0.4
140.01173	4.5
148.99046	0.4
152.99574	0.4
153.12828	0.6
155.14421	1.1
164.98605	0.9
181.12379	0.7
196.03827	2.4
199.13391	100.0
200.13742	5.7
225.00705	1.3
255.23297	0.5
277.21719	26.9
278.22122	2.0
378.16797	0.6
389.55786	0.4
396.17886	0.6
456.25238	0.8
474.26248	4.0
475.26218	0.4
555.28430	9.0
556.28839	1.6
656.21094	1.0
656.39374	9.4
657.39703	1.6
665.49927	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.1467
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.3
61.98829	100.0
69.03477	0.5
69.32144	3.6
75.00869	1.3
87.00909	0.4
89.02483	0.5
101.02345	0.4
106.58724	0.4
107.01424	0.7
119.61462	0.4
127.08143	0.4
133.07561	0.5
134.62817	0.4
151.00357	1.5
168.90123	0.4
178.99876	0.4
185.06032	0.5
187.03915	0.3
211.04024	0.5
225.07855	0.5
227.03493	17.0
228.03938	0.9
229.05069	1.2
235.20436	0.4
255.02971	27.7
256.03549	3.4
257.04559	1.3
283.02414	2.6
284.03244	43.1
285.03931	11.7
286.04282	0.9
313.03552	0.5
335.91031	0.4
343.95065	0.4
446.08221	0.4
447.09332	0.4
523.65210	0.4
593.15100	51.4
594.15411	8.7
657.37079	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.1469
Annotation	Unknow
Peak:m/z	Relative Intensity
58.40107	1.2
59.01377	11.9
61.98832	100.0
69.03471	2.5
69.48125	9.3
69.48528	2.4
71.01374	8.3
72.99300	3.2
73.02951	3.7
74.99098	1.8
75.00867	12.4
83.01393	1.9
85.02956	2.6
87.00861	4.7
88.98810	4.9
89.02460	4.6
94.90018	1.2
96.96019	3.2
98.20654	1.6
99.00844	2.0
101.02453	6.4
113.02467	4.0
117.03520	1.4
119.03513	1.8
125.02382	1.4
136.99142	2.2
151.00427	2.7
163.03999	1.9
165.05551	1.4
185.06081	1.4
187.03978	1.6
197.06125	1.5
211.04050	2.6
213.05571	1.6
214.16261	1.5
227.03516	17.9
228.03836	1.9
229.05025	7.2
255.02982	39.9
256.03445	2.8
257.04462	5.1
284.00903	1.5
284.03259	48.9
285.04031	59.8
286.04401	5.7
300.02591	1.6
359.14825	1.4
539.60278	1.7
593.15088	95.5
594.15259	17.5
612.29803	2.1
655.35687	5.2
656.34662	6.2
657.37750	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	655.355
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	0.8
57.03451	1.3
58.00611	0.8
58.61155	0.6
59.01381	21.7
61.98825	3.5
66.21030	0.6
69.03465	1.0
69.30554	5.4
71.01383	14.5
72.99328	1.9
73.02946	4.1
75.00872	2.8
83.01393	1.8
85.02946	5.1
87.00898	2.3
88.98832	0.8
89.02438	7.7
95.01402	1.4
96.96046	0.6
99.00874	1.1
101.02446	7.9
101.03027	0.9
102.56654	0.9
112.09162	0.6
113.02466	3.8
119.03512	1.9
125.02439	0.9
135.02992	1.5
137.35284	0.7
157.12352	1.1
169.12405	0.6
171.10339	0.8
179.05667	0.7
185.11876	1.0
196.34224	0.7
215.93703	0.7
228.92874	0.7
311.09149	0.7
329.23203	2.8
339.25500	1.3
357.26425	11.5
358.26956	1.3
375.27478	28.8
376.27893	2.4
393.18747	0.6
475.27206	2.9
519.31653	3.2
537.32770	100.0
538.33099	13.9
616.79419	0.7
655.35382	85.6
656.35657	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	656.1258
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17047	2.2
52.73821	1.9
59.01375	3.6
61.10633	2.0
61.98832	100.0
69.28780	3.8
69.29182	17.1
71.24311	2.2
73.72196	2.2
87.46526	2.0
121.02954	20.8
136.68828	2.3
207.10361	2.9
209.04524	15.4
211.13342	7.4
593.14008	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	656.1468
Annotation	Unknow
Peak:m/z	Relative Intensity
56.30933	1.1
59.01371	2.0
61.98833	18.2
63.74320	1.2
69.19396	10.4
69.19799	1.9
71.67889	1.2
75.00871	2.3
79.41124	1.3
89.20194	1.3
113.02504	1.3
121.94175	1.0
143.57834	1.0
151.00311	3.6
155.23859	1.4
173.55441	1.1
196.37970	1.0
201.05536	1.7
211.03786	1.4
211.51453	1.2
229.05136	2.1
243.02950	2.4
254.82248	1.2
255.02936	3.9
270.99722	2.4
271.02481	32.8
272.02884	3.3
283.02368	2.2
285.03922	1.4
299.01971	61.2
300.02548	9.5
301.03519	54.0
302.03922	3.8
446.08560	21.3
447.09326	20.0
448.09634	2.2
454.08908	1.3
593.15094	100.0
594.15442	16.2
656.35449	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.147
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	0.8
61.98830	100.0
64.62347	0.2
69.44703	0.6
69.45126	1.0
71.01389	0.4
72.99339	0.2
75.00873	1.3
83.01373	0.2
89.02470	0.3
98.20626	0.4
112.13887	0.2
113.09719	0.2
151.00337	0.4
153.32668	0.2
165.01923	0.3
227.03488	1.2
243.03023	0.2
255.02971	5.8
256.03577	0.6
257.04495	0.2
283.02481	16.0
284.03149	3.4
284.06110	0.3
285.04050	6.1
285.07123	0.4
286.04507	0.4
334.30399	0.2
346.42410	0.2
367.77435	0.2
430.09039	4.1
431.09662	1.5
447.09326	9.2
448.09457	1.0
541.46625	0.2
593.15070	18.5
594.15375	2.4
655.35602	0.2
656.37152	0.3
657.37415	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.2399
Annotation	Unknow
Peak:m/z	Relative Intensity
56.75667	0.3
59.01382	1.9
61.98828	2.2
68.36477	0.2
71.01391	1.4
71.55412	0.3
72.99313	0.3
73.02935	0.3
74.99039	0.2
75.00865	0.4
77.64611	0.3
80.06593	0.2
83.01413	0.3
83.04984	0.2
85.02942	0.6
87.00912	0.3
89.02453	0.5
93.03457	0.5
99.00883	0.3
101.02446	0.6
109.06573	0.4
113.02457	0.5
121.02956	100.0
122.03288	3.0
137.02446	1.1
139.04051	0.4
147.04539	0.5
149.06088	0.2
159.03015	0.3
161.04536	0.4
166.02812	0.4
181.05087	0.3
205.05052	0.3
207.10213	0.3
209.11842	1.5
211.13348	0.4
220.07492	0.3
225.11191	0.3
227.12622	0.2
229.78571	0.3
250.63544	0.3
285.04041	0.2
295.09717	0.9
341.09982	1.2
356.12595	1.2
371.14948	5.0
372.15466	0.6
449.32605	0.3
493.18674	22.7
494.18930	3.2
637.32581	0.4
655.34674	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3315
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74582	1.1
52.88416	1.3
59.01378	100.0
61.98832	8.7
71.55576	2.0
71.55952	1.4
78.95898	2.6
82.76146	1.4
89.89366	1.2
97.02938	2.5
108.98859	1.3
116.92783	1.3
125.09674	1.6
141.01703	57.9
142.05061	1.9
146.96605	1.7
152.99550	1.8
277.21674	2.1
339.00031	3.1
359.21695	1.6
433.14133	1.6
535.27429	3.1
573.56738	1.4
595.28876	2.7
631.21344	1.4
642.06494	1.7
665.47949	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.332
Annotation	Unknow
Peak:m/z	Relative Intensity
56.71705	1.3
58.47255	1.6
59.01382	100.0
60.22227	1.5
61.98829	8.8
69.19037	3.5
69.19451	15.3
72.10921	1.4
74.72636	1.4
76.00742	1.9
96.99319	2.7
97.02943	2.9
98.20680	3.8
109.73359	1.5
114.01842	1.8
129.09557	1.6
135.42149	1.8
140.95042	1.8
141.01727	66.1
142.02129	2.1
142.05142	7.5
150.42798	1.4
171.94682	3.4
275.06271	4.6
277.21762	3.2
296.01108	1.5
315.70102	1.5
339.00247	2.1
353.84573	1.7
535.27753	5.8
595.29517	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3026
Annotation	Unknow
Peak:m/z	Relative Intensity
55.75161	2.3
59.01380	100.0
61.98829	5.8
69.03424	2.2
69.36637	17.8
70.09960	2.1
71.01380	17.7
71.05016	2.4
72.99306	4.2
73.02930	6.1
83.01372	2.7
85.02927	4.6
87.04488	3.1
88.98913	2.1
89.02461	15.7
91.39555	2.4
99.00866	2.5
99.04491	5.7
101.02428	10.7
103.00365	6.3
109.02940	5.2
113.02428	8.3
115.03960	4.8
117.05567	2.5
119.03462	3.4
125.02419	5.6
134.03732	9.6
135.04488	9.7
136.01640	2.6
143.07133	2.8
148.05229	3.5
149.02466	2.2
150.03204	7.6
159.87015	2.3
161.08191	80.2
165.05510	8.2
178.02635	6.3
179.03488	4.9
179.05586	4.4
180.03938	3.0
193.05060	16.8
195.06636	3.7
203.09306	17.9
205.03458	4.6
211.07562	15.7
212.07948	14.1
213.08260	2.8
232.29239	2.4
239.10666	5.5
240.11049	3.0
241.11342	3.6
300.84702	2.1
313.80835	2.8
389.12531	4.9
491.14792	3.9
533.26154	11.2
549.25403	2.9
593.28040	4.5
653.19916	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	653.3392
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.4
57.03428	1.5
58.00592	1.2
59.01110	1.3
59.01381	21.5
61.98827	1.4
65.96156	0.7
69.03454	1.0
69.45835	6.5
69.70167	0.8
70.80389	0.6
71.01382	14.6
72.99303	3.5
73.02956	3.6
75.00873	5.0
78.54128	0.6
83.01398	2.6
85.02961	4.2
87.00864	3.5
89.02460	7.2
95.01390	1.3
95.05017	1.0
99.00849	1.6
101.02445	7.8
105.01918	2.0
113.02455	4.3
116.92828	0.9
119.03508	1.8
120.99654	3.4
125.02389	1.0
125.09709	2.3
127.11268	0.9
135.02954	1.5
171.10291	6.5
185.11850	1.9
223.37917	0.8
267.55994	0.8
287.18637	3.7
295.09656	1.2
322.48224	0.8
327.21933	0.8
330.69592	0.8
355.24792	7.6
373.25934	19.0
374.26263	1.4
421.94678	0.8
429.82410	0.8
461.63895	0.8
517.30109	3.0
535.31219	100.0
536.31512	14.4
653.33881	70.4
654.34094	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	653.3753
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.8
57.03440	0.8
58.00604	2.1
59.01380	45.9
60.01700	0.4
61.66301	0.2
61.98844	0.3
68.18674	0.2
68.99818	0.4
69.03458	2.1
70.40227	0.3
70.40578	0.8
71.01381	38.0
72.01731	0.3
72.99309	2.6
73.02946	6.7
74.97872	0.2
75.00880	1.0
81.03461	1.4
83.01390	5.1
83.05030	0.5
85.02951	8.8
86.00104	0.4
87.00876	10.0
87.04538	0.3
89.02447	35.5
90.02773	0.6
91.04013	0.6
94.47918	0.3
95.01387	2.4
95.05080	0.3
97.02953	6.7
99.00884	2.4
99.04515	0.4
101.02445	32.4
102.02798	0.5
103.00403	0.4
103.04025	0.5
109.02936	0.9
111.00898	0.7
111.04534	1.0
113.02453	14.6
114.02864	0.2
115.04031	0.6
119.03503	11.0
120.03840	0.3
121.02968	0.5
123.00916	0.4
124.01669	0.4
124.44585	0.2
125.02449	13.1
126.02813	0.4
127.04041	0.4
129.01936	0.3
131.03481	1.4
133.05061	1.2
136.93781	0.2
137.02473	0.2
139.04015	1.3
141.01930	0.8
143.03510	5.6
149.02498	0.2
149.04546	1.1
151.03990	0.3
154.17395	0.2
154.61450	0.2
161.04558	7.0
161.05902	0.5
162.04828	0.2
167.03474	0.9
169.04988	0.5
171.02979	0.3
179.05609	6.6
185.04561	0.8
199.06125	0.7
203.05681	0.4
217.07196	1.0
219.05087	0.5
221.06616	2.7
235.08224	13.4
236.08650	0.3
237.22351	0.3
245.06664	0.9
253.09317	3.1
255.23283	100.0
256.23630	8.1
263.07669	1.3
269.24838	1.0
277.09290	1.0
287.07724	3.6
305.08771	3.8
323.09814	2.1
361.11472	0.7
379.12534	0.9
397.13495	82.5
398.13867	6.3
415.14548	31.0
416.14862	2.5
639.83636	0.3
653.37714	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3755
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.6
57.03444	0.8
58.00587	1.8
59.01381	38.8
61.98824	1.8
67.23012	0.4
69.03465	2.6
69.19300	3.7
71.01383	34.9
72.01727	0.5
72.99310	3.1
73.02943	5.7
75.00869	1.2
78.95927	0.9
81.03460	1.8
83.01380	4.5
85.02953	7.7
87.00877	8.1
89.02448	32.2
91.04005	1.1
93.03404	0.5
95.01400	2.6
97.02963	6.3
99.00878	1.9
99.04517	0.5
101.02444	29.5
102.02797	0.5
103.00311	0.5
109.02961	0.7
111.00887	0.5
111.04516	1.0
113.02452	15.2
113.03255	0.9
115.04015	0.9
119.03506	10.3
120.49923	0.4
121.02955	0.9
123.04569	0.7
124.01688	0.6
125.02448	11.6
126.02748	0.5
126.27702	0.4
131.03491	1.4
133.05046	0.9
137.02458	0.5
139.03998	1.1
141.01872	0.4
143.03490	6.6
149.04549	0.9
151.04088	0.4
152.99640	1.5
161.04559	6.7
167.03510	0.8
171.33389	0.4
179.05592	6.4
185.04546	0.6
203.05606	0.8
208.49010	0.4
208.50945	0.5
217.07269	0.9
221.06660	2.3
235.08218	13.3
236.08629	0.5
241.01155	0.4
245.06622	0.4
253.09239	3.5
255.23291	100.0
256.23602	7.5
263.07748	1.4
269.24792	0.7
274.05408	0.4
277.09198	1.2
287.07745	3.2
305.08755	4.4
318.22049	0.4
323.09872	1.5
361.11472	0.7
379.12381	1.1
397.13498	77.1
398.13837	5.8
409.81421	0.4
415.14578	30.9
416.14972	2.1
595.29022	1.5
596.29327	0.6
653.25690	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	654.2254
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00835	0.3
59.01384	6.1
61.98830	100.0
71.01387	3.2
73.02959	0.7
75.00877	0.8
83.01405	0.4
84.43504	0.3
85.02962	0.6
87.00911	0.6
89.01920	0.6
89.02444	4.4
94.60806	0.3
95.05014	0.3
98.02465	0.4
101.02431	2.5
113.02450	1.6
113.14674	0.3
119.03485	2.0
134.03735	0.6
135.02979	0.4
143.03502	0.4
157.06519	0.3
161.04555	1.5
161.13356	1.8
164.89264	0.3
172.81915	0.3
174.98720	0.3
179.05630	3.3
187.11272	3.4
193.05124	1.2
194.05450	0.6
205.12329	4.2
228.64462	0.4
229.10233	0.3
229.12378	1.4
247.13499	0.7
249.11278	5.3
280.34351	0.3
298.03207	0.3
321.13330	0.3
351.14514	0.8
365.36755	0.3
385.18658	2.0
386.19241	0.4
389.12866	0.3
411.16522	3.1
411.20541	0.3
429.17615	9.1
429.23013	0.5
430.18253	0.6
450.20743	0.4
451.16043	0.4
490.83514	0.3
519.90906	0.3
591.22949	3.5
592.23877	0.6
655.35638	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	654.257
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	100.0
71.54780	1.3
78.95898	1.6
81.63996	1.2
85.29417	1.0
92.80760	1.3
138.68758	1.3
194.53870	1.4
216.05995	1.1
319.18381	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	654.2572
Annotation	Unknow
Peak:m/z	Relative Intensity
57.28259	0.6
61.98832	100.0
65.52425	0.9
67.85513	0.7
90.79948	0.7
116.58878	0.8
128.38429	0.7
150.52536	0.9
153.93785	0.7
157.18242	0.7
232.73677	0.8
278.81082	0.7
573.42657	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	652.2094
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15070	0.3
59.01380	25.4
61.98831	100.0
64.37799	0.4
69.03470	0.4
70.69807	0.7
71.01383	5.6
72.99327	0.6
73.02948	10.2
81.03434	0.3
83.01377	2.6
85.02979	0.7
87.00883	0.7
89.02432	1.9
99.00880	0.3
101.02444	10.3
107.11117	0.3
110.01414	0.3
113.02450	3.0
119.03514	1.6
125.02440	0.6
131.03514	1.1
135.85945	0.3
142.99773	0.4
143.03519	1.5
149.04538	2.8
155.03584	0.5
161.04558	5.3
174.06276	0.3
175.07666	2.5
203.05594	0.8
221.06689	1.9
233.11870	0.9
255.52765	0.3
261.26541	0.3
293.13947	6.2
294.14270	0.4
311.09460	0.4
489.29230	0.4
533.29858	1.2
534.30389	1.2
651.32739	0.4
652.33246	1.4
653.33691	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2087
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14912	1.0
59.01376	19.4
61.98830	6.1
71.01378	11.7
72.99302	3.3
73.02940	4.5
75.00868	2.6
83.01359	2.0
85.02953	3.4
87.00878	2.0
88.98794	3.2
89.02439	7.5
93.03477	2.3
93.22763	1.2
96.95956	1.2
101.02400	5.5
105.01967	1.7
113.02464	4.7
118.61105	1.1
119.03515	5.0
121.02925	7.5
122.03706	4.7
131.03534	1.7
133.03008	1.8
134.03743	51.2
135.04468	2.2
135.98375	2.2
137.02457	8.1
139.03964	2.8
149.02438	12.7
149.06071	15.7
150.03229	29.2
151.03935	2.3
158.94994	1.2
161.04590	2.1
164.04764	2.1
165.04163	2.2
165.05547	34.0
166.05969	1.7
173.47903	1.3
178.02702	26.5
179.05605	2.0
180.04277	2.7
193.05049	100.0
194.05388	4.4
195.06610	21.7
207.06721	1.4
221.02684	1.3
223.06006	2.5
225.07648	1.4
225.14894	1.2
229.77222	1.3
250.06342	1.6
267.06497	1.9
271.46756	1.3
282.09048	7.5
341.10284	23.1
373.13031	1.6
389.12384	37.4
390.12592	4.1
431.13339	1.5
491.15497	7.7
535.18097	2.0
549.25433	4.0
551.17578	5.2
551.25952	1.4
567.26263	2.9
653.20520	14.6
654.20789	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3014
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46042	0.3
58.71753	0.2
62.96406	0.6
66.40399	0.3
71.38304	0.2
71.38620	0.4
78.95904	100.0
96.96973	0.3
145.70850	0.2
149.00085	4.6
179.01096	0.6
185.85196	0.3
205.15988	2.5
214.58014	0.2
285.12622	3.9
307.85992	0.3
355.16754	2.7
385.17938	1.0
417.12152	0.5
447.13354	5.6
448.13934	0.4
653.30115	53.6
654.30463	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	651.193
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	0.9
61.98825	0.3
69.78716	1.1
71.01385	0.6
74.78722	0.2
85.02949	0.4
89.02454	0.5
93.03457	0.7
94.94363	0.2
96.95998	1.0
96.96958	0.2
101.02448	0.5
103.43557	0.2
109.02930	0.3
113.02443	0.3
115.00391	0.2
117.03465	0.3
119.05025	94.9
120.05355	3.7
125.02437	0.3
129.01950	0.2
154.14192	0.2
163.04002	100.0
164.04344	4.3
182.76945	0.2
205.05098	0.5
211.07674	0.7
237.09203	0.2
325.09219	1.7
343.90195	0.2
397.79202	0.2
529.00555	0.2
651.19312	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.246
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26915	1.8
59.70225	1.8
59.90835	1.7
61.98817	6.1
71.54727	3.1
74.26040	1.7
80.32538	1.6
84.26450	2.1
87.57155	1.7
87.67947	2.1
112.31841	1.8
137.44978	2.2
139.99895	1.6
143.12753	1.6
150.75500	2.2
211.08704	2.1
212.26768	1.7
267.44083	2.0
387.90836	2.0
419.15109	2.5
433.17047	2.6
434.17767	2.2
447.14612	6.4
448.15012	2.5
461.16254	5.2
462.16946	7.9
463.17422	2.8
475.18073	2.4
476.18597	7.2
477.19147	7.4
491.17691	2.3
520.17419	5.2
521.18170	5.8
535.20044	16.4
536.20154	4.1
549.17877	2.4
564.20172	3.3
565.21045	8.1
622.24164	21.2
623.24908	8.3
636.21747	2.3
651.13525	4.8
651.24542	100.0
652.24585	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	651.2463
Annotation	Unknow
Peak:m/z	Relative Intensity
56.13848	1.1
59.01371	2.8
61.98837	6.1
66.65763	1.1
71.01373	1.3
71.54880	2.1
80.96518	2.1
93.03462	6.3
93.16482	1.0
101.02441	1.4
105.65190	1.1
121.02978	1.2
127.95183	1.1
137.02432	8.0
156.77415	1.1
237.02687	1.2
306.69995	1.1
330.16605	1.2
375.14865	1.3
397.13211	1.5
415.14606	3.9
475.13998	1.6
489.15189	8.4
490.16266	1.7
491.17349	8.2
492.17288	1.7
503.17200	2.5
505.18802	4.5
506.19315	2.1
530.15228	1.5
545.18414	2.4
577.26923	3.4
591.22406	16.2
592.22931	2.9
619.21490	1.5
651.24579	100.0
652.25098	21.4
655.97675	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.3599
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00293	0.8
51.47017	0.9
55.01879	1.3
55.51449	0.8
57.03446	1.0
59.01382	31.2
61.98833	2.8
69.03462	1.6
71.01384	30.7
71.54851	1.2
72.99320	2.7
73.02959	5.5
78.95916	2.3
81.03450	1.5
83.01378	3.6
85.02925	6.1
87.00867	7.6
89.02448	28.5
91.04009	1.0
95.01404	2.6
97.02943	6.0
99.00883	2.3
101.02444	26.4
105.54089	0.9
111.04504	1.4
112.26892	1.0
113.02457	13.4
119.03516	10.1
119.43983	1.0
125.02437	12.4
131.03461	1.1
141.01929	1.4
143.03535	5.8
149.04588	1.2
152.99507	1.4
161.04506	6.3
179.05582	7.2
221.06731	2.4
235.08206	12.7
253.09264	2.8
253.21721	100.0
254.22041	6.6
263.07764	1.5
277.09183	1.0
287.07681	2.8
305.08722	3.6
379.12097	1.1
397.13501	75.1
398.13873	3.9
415.14557	28.4
416.15015	2.2
431.26382	1.0
593.27283	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	651.375
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.9
56.44385	0.4
57.03434	1.8
58.00587	0.6
59.01381	15.5
61.98826	2.3
71.01384	15.5
71.39900	0.7
72.99300	1.2
73.02943	5.4
73.29468	0.4
75.00858	0.6
75.39588	0.4
81.03481	0.5
83.01390	3.6
85.02945	9.9
86.00101	0.9
87.00832	1.2
89.02441	3.7
95.01379	2.1
97.02929	0.5
99.00888	1.8
101.01788	0.9
101.02444	12.0
107.05019	2.2
109.06590	21.3
110.06885	0.5
111.00850	0.6
113.02456	5.2
119.03485	1.2
123.27893	0.5
125.02466	0.7
125.83961	0.4
136.76985	0.5
159.03032	0.6
161.04530	0.9
193.72084	0.4
204.93176	0.4
249.38702	0.4
295.09735	0.7
353.76157	0.4
355.29993	0.5
383.33136	0.5
427.32108	1.7
445.33322	0.8
464.76785	0.4
507.29352	0.4
539.66492	0.4
607.38544	13.6
608.39136	2.0
651.37482	100.0
652.37860	19.9
652.46564	0.3
678.83368	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.3075
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18204	1.8
51.79814	2.3
55.01875	5.6
57.03440	3.4
59.01382	91.9
61.98823	16.6
68.99822	2.5
69.03453	5.6
69.19684	13.0
69.20101	5.9
71.01382	59.4
72.99317	14.9
73.02945	18.0
75.00872	3.1
81.03436	2.7
83.01389	8.9
85.02945	25.7
87.00858	12.2
89.02454	13.1
93.03455	2.9
95.01382	8.0
96.96010	2.7
97.02951	4.5
99.00875	6.9
100.44615	1.9
101.02454	31.8
111.00888	5.5
111.82434	1.8
112.01643	3.2
113.02453	23.1
117.01990	3.5
119.03534	4.6
119.05012	7.0
121.02994	2.4
124.01659	2.7
125.02436	7.3
125.47767	2.1
127.00356	4.6
129.01927	4.4
131.03499	2.9
135.03006	4.2
137.02460	2.2
139.00397	2.4
139.04080	2.1
143.03500	6.3
147.04509	2.2
157.01443	3.8
159.03035	3.2
161.04588	9.8
163.03992	3.4
165.01910	2.3
169.01358	2.5
175.02477	1.9
178.66925	1.9
193.05046	2.0
195.08179	1.9
211.02454	4.8
285.11227	16.7
295.09811	2.7
311.09259	16.6
312.09424	2.0
329.10306	6.1
401.25433	9.6
425.27356	3.1
487.26700	13.1
545.29584	100.0
546.29706	13.7
563.30688	77.9
564.31024	7.8
605.32062	9.8
619.35321	5.5
649.35449	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	649.3076
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	2.8
55.54770	1.5
57.03458	3.8
58.00598	1.7
59.01381	100.0
60.01718	1.8
61.98836	12.9
68.99828	1.9
69.03467	3.8
71.01384	45.4
72.99309	27.6
73.02953	11.3
75.00885	4.3
81.03478	2.9
83.01384	6.6
85.02954	17.0
87.00888	12.6
88.98809	2.4
89.02444	21.4
93.03471	2.3
95.01401	3.9
96.96048	2.8
97.02930	4.3
99.00098	1.4
99.00887	7.3
99.04527	2.0
101.02436	25.0
102.40496	1.7
111.00896	6.7
113.02449	22.3
116.92921	1.6
117.01933	2.5
119.03473	7.7
119.04997	8.8
121.02959	17.9
122.02489	7.0
125.02447	5.4
127.00372	6.0
129.01918	2.8
130.12015	1.8
135.03012	10.4
135.04550	1.9
139.00342	2.0
143.03496	4.8
147.04483	4.8
157.01431	3.6
161.04585	6.4
163.04077	5.5
165.01961	2.3
179.05579	2.5
185.00928	2.5
191.01944	1.5
233.09471	2.4
267.65237	1.8
285.11481	3.7
295.09622	10.3
311.09247	18.0
312.09494	2.4
327.08575	2.0
387.14435	3.5
401.25394	4.9
531.28613	3.3
545.29620	72.0
546.30072	9.0
547.31067	2.0
563.30688	57.2
564.31122	6.5
605.32202	6.0
649.37933	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	10.9
61.98822	1.0
69.85459	1.4
69.85856	2.3
71.01389	4.4
72.99307	2.8
73.02961	1.0
85.02960	0.9
87.00883	1.4
89.02454	2.2
96.95991	1.9
101.02438	2.4
108.02193	0.9
109.02953	11.6
111.04482	0.7
113.02457	2.3
115.00364	3.7
117.07114	2.9
121.02928	1.4
122.03732	3.7
125.02373	0.9
134.03761	1.2
134.64702	0.7
135.02994	1.3
135.04530	33.3
136.04848	1.5
137.02472	0.8
147.04543	7.4
148.05298	16.0
161.04565	0.8
161.08199	2.8
173.74516	0.8
175.02478	0.8
179.03500	26.7
179.69377	0.8
180.03882	0.9
211.07640	100.0
212.07939	6.5
237.09238	5.6
238.09863	1.4
239.10768	42.8
240.11174	4.1
283.09741	7.8
301.12000	0.8
327.08911	1.4
341.08655	4.4
373.12891	2.2
445.15002	3.4
471.12885	1.0
489.14056	15.4
490.14603	1.2
531.24945	1.0
591.25226	0.9
651.19293	70.4
652.19391	10.2
669.25195	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.1776
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31369	3.0
56.31969	3.0
58.86807	3.2
59.01371	26.2
61.98829	18.9
69.03448	8.4
69.31126	28.7
71.01379	15.9
72.99306	30.4
73.02968	6.9
75.00861	6.5
83.01393	6.1
85.02937	5.3
87.00885	28.6
89.02428	5.8
89.64526	2.7
93.03448	3.7
94.53569	3.0
96.96009	8.1
97.02949	7.4
99.00871	12.6
101.02445	8.7
111.00871	4.3
113.02466	6.2
117.01947	7.4
119.05037	33.6
125.02422	5.2
127.00366	49.0
129.01910	9.1
135.02983	25.4
136.03270	4.5
141.01913	4.7
147.04485	20.4
153.01961	4.4
157.01445	14.7
163.04005	31.4
169.01428	7.4
175.02464	7.3
181.01439	4.6
183.02957	3.6
185.00870	6.3
195.08133	7.2
199.02515	15.6
223.11218	6.4
229.03471	13.5
237.81453	3.1
257.03018	4.3
267.10272	13.9
287.04053	4.0
289.56110	4.5
311.09244	100.0
312.09607	15.6
313.09854	5.5
319.06598	9.9
531.27960	4.9
649.33130	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	649.2502
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94519	0.3
55.01843	0.2
59.01380	65.4
60.01702	0.3
61.98835	0.7
63.71494	0.3
66.76052	0.3
70.53789	0.3
70.70020	0.9
71.01377	4.1
72.99335	0.4
73.02945	5.7
75.00859	0.5
78.44969	0.3
83.01393	1.7
85.02962	1.1
87.00866	0.4
89.02456	1.0
93.03445	0.7
95.18291	0.3
101.02438	4.7
104.67249	0.2
113.02464	1.6
119.03532	0.6
121.02959	100.0
122.03290	2.8
125.02437	0.3
131.03517	0.5
131.08688	0.3
135.04558	0.3
143.03580	0.5
149.04515	0.5
149.77464	0.3
157.06700	0.3
159.04543	0.4
159.08194	0.5
161.04543	0.9
161.09676	0.3
161.36525	0.3
163.03981	0.3
163.07608	1.6
173.09720	0.5
174.06789	0.3
175.07643	0.7
177.09193	0.5
187.07663	2.2
189.09222	1.3
201.12811	0.4
203.07159	0.7
205.06888	0.5
205.08710	5.9
219.13857	1.2
222.19896	0.2
229.08585	1.4
263.12885	2.9
279.10199	0.6
305.14001	1.3
404.05368	0.3
405.66013	0.3
409.14948	1.2
473.69028	0.3
534.55951	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96305	0.7
56.24110	0.9
59.01381	6.0
61.98828	7.3
69.45702	0.9
69.57015	2.5
69.57444	3.1
71.01373	4.6
72.99294	5.0
73.02944	1.2
75.00859	1.4
83.01373	1.0
85.02924	1.0
87.00894	6.3
93.03549	0.8
96.96008	1.4
96.99286	1.1
99.04514	1.2
101.02441	1.5
113.02432	1.7
115.05527	2.0
117.01933	1.8
121.02947	1.1
137.02425	1.6
142.25810	0.7
147.04483	6.6
151.64180	0.9
153.73637	0.8
205.10172	3.1
207.11765	4.5
233.09698	7.1
251.10745	15.4
252.11127	1.5
257.45541	0.8
277.08606	2.3
295.09750	100.0
296.10074	8.9
426.01321	0.9
613.15002	2.0
632.23016	0.9
645.30334	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	649.1776
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	13.9
61.98815	8.1
67.22413	2.0
69.03424	3.6
69.45298	19.8
70.68364	2.1
71.01379	10.5
72.99301	8.6
73.02972	4.2
73.76708	2.2
75.00814	3.4
83.01347	2.5
85.02927	3.3
87.00892	20.7
89.02436	5.0
91.07621	2.6
93.03458	3.9
96.96009	4.8
99.00884	7.0
101.02415	3.9
111.00882	5.2
113.02441	3.9
117.01933	3.4
119.05021	30.2
121.02949	5.6
122.23923	2.8
122.95570	2.2
125.02400	4.1
127.00391	33.0
129.01947	10.5
135.02954	3.4
141.01942	2.5
147.04523	16.3
155.35056	2.5
157.01436	12.8
163.04012	22.2
169.01405	8.0
175.02451	6.6
181.01360	2.9
195.08141	4.5
199.02455	8.5
202.23711	3.0
223.11276	6.8
229.03568	8.8
240.17250	2.5
267.10333	7.7
287.04144	6.8
311.09250	100.0
312.09552	9.3
313.09528	2.4
319.06702	7.2
320.34198	2.5
440.30756	2.9
469.24405	4.2
502.23871	2.5
531.27844	5.4
649.32837	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.1829
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	2.9
61.98846	2.0
61.99120	0.4
71.01374	3.0
71.34895	0.9
72.99310	5.9
73.02940	0.7
80.19744	0.4
83.01387	0.6
85.02953	0.5
87.00876	3.2
89.02460	0.9
91.71199	0.4
93.03484	0.4
96.96022	0.6
96.99314	7.2
99.00893	0.7
101.02435	0.4
101.54317	0.5
103.05576	0.6
105.01936	1.1
115.05526	6.2
117.01933	3.8
117.03444	1.3
119.65579	0.4
127.76785	0.4
129.01933	0.9
131.05008	1.3
147.04526	11.1
148.04829	0.5
172.51877	0.4
173.00877	1.5
173.02226	0.4
174.86856	0.4
191.25804	0.4
199.13374	1.4
205.10228	3.0
207.11842	1.1
209.11906	1.1
221.59427	0.4
222.77870	0.4
233.09720	19.9
234.10103	1.4
251.10796	0.9
277.08670	6.9
278.09131	0.6
295.09744	100.0
296.10107	8.2
335.06177	0.8
427.14053	0.7
466.67090	0.5
498.54739	0.5
613.15533	1.3
628.47284	0.5
645.33527	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.1825
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13004	0.3
55.01872	0.7
57.07751	0.4
59.01374	2.1
61.98834	1.2
70.55082	0.5
70.55391	0.4
71.01376	2.6
72.99311	3.0
73.02940	0.5
80.23824	0.3
83.01383	0.5
87.00874	2.6
93.03468	0.6
93.44411	0.3
96.96018	0.5
96.99316	6.3
99.00873	0.5
101.02419	0.6
111.00875	0.4
113.02462	0.4
115.05532	5.7
117.01945	1.7
117.03453	1.2
121.02917	0.4
128.03494	0.3
129.01944	0.8
131.05038	0.8
135.03047	0.5
147.04526	8.9
148.04832	0.4
157.01642	0.3
163.47774	0.4
191.08624	0.7
197.11827	2.1
198.12184	0.9
205.10216	3.6
207.11804	1.0
209.11768	1.9
210.12120	0.8
211.12415	0.4
233.09721	18.9
234.10028	1.8
251.10759	0.7
277.08691	6.4
278.08954	0.7
295.09747	100.0
296.10068	7.9
303.03668	0.6
335.06268	0.7
367.11526	0.3
427.13864	0.4
475.55658	0.4
613.15698	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.1828
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	4.1
60.07352	0.6
61.98830	4.6
65.03958	1.7
68.99555	0.7
69.21407	4.5
69.21811	1.1
71.01376	3.9
72.99312	4.1
73.02934	1.8
83.01383	1.6
87.00874	4.8
88.98813	0.6
89.02431	1.5
96.96021	1.4
96.99310	1.0
99.00870	0.9
101.02437	0.6
105.01928	0.9
111.00919	0.6
112.98577	0.9
113.02455	1.1
115.05526	1.8
117.01951	2.2
125.02492	0.7
126.74144	0.6
129.01917	1.4
145.06647	0.5
146.38315	0.6
147.04503	5.1
169.39229	0.6
175.02469	0.6
191.08823	0.7
195.41429	0.5
205.10153	2.8
207.11787	6.1
221.09738	0.8
233.09703	6.2
244.57330	0.6
251.10764	15.7
252.11116	1.8
277.08688	1.8
295.09747	100.0
296.10037	8.5
402.57938	0.6
613.15454	1.9
613.51514	0.6
645.30280	1.2
673.26483	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.1311
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	2.1
61.98531	1.0
61.98830	15.2
65.55688	0.7
71.01360	1.7
75.00889	0.9
83.01380	0.7
86.39140	0.5
86.66719	0.7
87.00895	1.0
89.02434	0.9
92.07707	0.6
101.02467	0.7
101.24703	0.8
102.56387	0.6
114.09937	0.6
121.02879	0.6
131.32605	0.6
139.29201	0.6
151.00342	3.3
199.03935	1.0
215.03423	0.7
227.03391	1.3
243.03020	2.9
255.02963	2.4
271.02466	33.9
272.02823	2.6
273.01273	0.6
299.01950	72.0
300.02454	11.1
301.03516	20.9
302.04004	1.0
316.02240	0.8
317.02591	1.1
391.49112	0.6
433.07660	4.8
446.02243	1.5
446.08508	29.0
447.09033	8.9
448.09796	0.7
480.08548	1.3
579.13519	100.0
580.13831	13.3
600.56830	0.7
607.79230	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.0378
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57490	0.4
57.20561	0.5
59.01379	94.5
60.01704	0.6
61.98834	3.7
66.64204	0.3
69.46505	0.8
69.46922	2.2
75.35077	0.4
76.24515	0.4
77.12428	0.4
77.40845	0.3
79.89587	0.4
83.51788	0.4
87.51711	0.4
90.97113	0.8
92.58602	0.3
93.27802	0.4
97.94744	0.4
98.20629	0.8
101.23003	0.4
115.44895	0.4
118.96624	0.6
132.98209	1.7
140.23370	0.4
157.03543	4.9
159.01506	2.4
174.99240	22.6
176.98122	2.8
178.91342	0.4
201.02541	58.7
202.02731	4.0
217.00290	100.0
218.00581	3.7
219.97752	1.4
220.66792	0.4
247.16142	0.4
297.91052	0.5
310.30667	0.4
343.03696	14.8
344.03748	2.5
359.01468	72.0
360.01648	7.8
501.02600	5.9
502.02713	0.8
621.07294	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.1365
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	3.7
57.03432	3.2
59.01374	9.0
61.98817	5.6
67.01889	2.9
67.55672	2.6
68.99810	7.7
69.03456	6.4
71.01379	31.0
71.09370	4.3
72.99301	22.0
73.02946	6.0
75.00863	3.4
83.01399	12.8
85.02947	13.6
87.00871	48.6
89.02443	4.5
95.01357	4.9
96.99320	2.7
97.02931	8.4
99.00881	21.8
101.02440	8.1
109.02966	4.1
110.13045	2.5
111.00865	19.2
113.02435	11.2
114.80637	2.4
115.00359	8.9
117.01939	5.6
123.00855	3.9
125.02438	8.1
127.00372	100.0
129.01958	21.9
137.02425	5.6
139.00317	5.7
141.01910	14.3
146.24722	2.7
150.03224	3.1
153.01971	3.4
154.30188	2.8
154.99821	6.5
157.01425	43.0
158.24510	2.7
159.02974	3.4
165.01952	5.3
169.01401	17.9
175.02477	19.5
181.01509	4.5
183.02870	3.3
199.02452	30.4
210.30711	2.9
219.88916	3.7
225.17574	2.6
229.03503	34.7
230.04025	3.5
247.04567	3.5
257.02994	7.8
287.04077	77.8
288.04398	4.9
305.05099	70.7
306.05615	5.3
319.06586	12.4
352.38150	3.3
602.04498	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.3755
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82245	0.4
55.58239	0.4
59.01380	8.0
60.99328	0.6
61.98830	24.1
64.90117	0.5
67.75045	0.5
69.03462	0.8
71.01379	7.3
71.05712	0.4
71.55592	0.7
72.99314	4.7
73.02956	2.8
75.00871	98.2
76.01223	0.8
83.01390	1.7
85.02949	4.0
87.00869	1.5
88.98823	4.2
89.02447	3.1
89.76922	0.5
96.68439	0.4
97.02956	0.5
99.00887	1.7
101.02455	4.3
110.43329	0.5
111.00918	1.0
113.02441	2.9
119.03503	0.5
119.05007	0.8
121.02987	0.7
125.02441	1.1
127.00320	0.6
135.03003	1.7
135.98329	0.8
136.99127	0.6
161.04585	0.5
163.04086	0.7
179.03522	1.4
184.47325	0.5
187.11409	0.6
187.59454	0.5
194.05821	1.0
195.06532	0.6
209.08153	1.4
225.07738	0.7
267.15991	0.7
362.48813	0.5
364.77518	0.6
521.34302	0.9
537.29065	1.7
555.29907	1.5
605.35223	1.0
641.37561	100.0
642.38000	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	642.1309
Annotation	Unknow
Peak:m/z	Relative Intensity
56.63739	0.5
59.01372	2.7
61.98830	100.0
68.03380	0.7
75.00878	2.1
83.48666	0.7
89.39171	0.6
98.20616	2.1
101.02454	0.8
107.01356	0.7
137.02455	0.9
151.00360	1.4
173.66019	0.5
187.09616	0.8
211.62402	0.6
212.07047	0.7
227.03496	17.0
227.09251	1.5
228.03946	1.2
229.05023	1.4
238.58209	0.6
255.02983	28.0
256.03568	4.1
257.04416	1.0
283.02542	0.9
284.03247	49.1
285.03979	14.9
295.16315	0.6
550.88568	0.7
579.13531	68.1
580.13873	8.4
594.84326	0.7
641.38013	1.3
642.37714	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.1309
Annotation	Unknow
Peak:m/z	Relative Intensity
56.63739	0.5
59.01372	2.7
61.98830	100.0
68.03380	0.7
75.00878	2.1
83.48666	0.7
89.39171	0.6
98.20616	2.1
101.02454	0.8
107.01356	0.7
137.02455	0.9
151.00360	1.4
173.66019	0.5
187.09616	0.8
211.62402	0.6
212.07047	0.7
227.03496	17.0
227.09251	1.5
228.03946	1.2
229.05023	1.4
238.58209	0.6
255.02983	28.0
256.03568	4.1
257.04416	1.0
283.02542	0.9
284.03247	49.1
285.03979	14.9
295.16315	0.6
550.88568	0.7
579.13531	68.1
580.13873	8.4
594.84326	0.7
641.38013	1.3
642.37714	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	3.2
61.98836	6.3
66.29240	0.4
68.05062	0.3
69.03438	0.5
69.42429	2.9
71.01376	1.9
72.99306	0.8
73.02937	0.4
74.35290	0.4
75.00883	1.7
81.63652	0.4
83.04469	0.4
83.05000	0.4
85.02946	0.9
87.00909	0.6
89.02477	0.8
93.03466	0.9
101.02448	1.2
102.58483	0.3
108.02211	0.5
109.02946	0.5
110.67460	0.5
113.02460	0.7
119.05054	0.4
119.56279	0.4
121.02959	100.0
122.03288	2.5
125.02465	0.5
135.04582	0.6
136.01642	1.1
137.02455	1.7
147.04498	0.7
150.03227	0.5
151.03989	1.8
161.06081	0.4
162.03217	0.7
164.42696	0.4
175.03981	4.3
181.01355	0.5
188.04785	0.9
189.05647	2.4
190.06351	2.7
205.05058	1.0
221.08087	0.6
228.37393	0.4
295.09644	1.9
313.11002	0.4
342.11044	6.6
343.11411	0.7
357.13425	14.3
358.13824	0.8
373.10754	0.6
460.27551	0.5
461.28964	1.0
479.17120	48.9
480.17496	7.1
641.22522	1.1
641.34967	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	641.3536
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96691	0.2
59.01384	1.8
61.98825	0.7
65.28548	0.2
69.03465	0.3
69.88136	0.8
71.01371	1.3
73.02954	0.3
83.05036	0.3
85.02945	0.4
87.00887	0.4
89.02449	0.9
101.02456	1.6
104.44981	0.2
113.02440	0.8
118.44581	0.2
119.03517	0.3
145.05077	0.2
155.10715	0.2
155.34659	0.2
161.04558	0.5
165.71284	0.1
167.10789	0.2
167.14395	0.7
181.12401	0.2
183.13899	5.8
184.14273	0.4
193.12332	1.8
194.12546	0.2
202.79022	0.2
211.13387	100.0
212.13733	5.4
212.15250	0.1
235.08235	1.6
253.09283	4.0
254.09694	0.2
305.62885	0.2
387.25583	0.6
405.26337	0.4
429.21460	0.5
447.22366	4.7
448.22580	0.5
509.82959	0.2
593.93524	0.2
623.34491	0.7
624.34583	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	640.1519
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	0.3
61.98830	100.0
64.65786	0.1
69.38903	0.8
71.01404	0.1
88.56138	0.1
98.19938	0.3
123.09938	0.1
138.48920	0.1
148.76036	0.1
151.00407	0.1
169.06630	0.3
185.06081	0.2
213.05647	0.2
227.03539	0.2
255.02986	2.1
256.03290	0.1
277.19116	0.1
283.02478	5.7
284.03049	0.8
285.04056	8.6
286.04340	0.7
361.83719	0.1
430.09006	1.2
431.09769	3.6
432.10281	0.4
577.15613	9.8
578.15912	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	640.2618
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	1.0
61.98830	8.5
62.56519	1.0
71.01379	5.2
71.25538	1.7
78.98576	4.2
79.75717	0.9
79.95733	7.1
80.96516	46.8
87.00853	2.2
94.98083	11.7
97.00702	1.1
97.02924	1.1
98.90807	0.9
101.02449	1.4
106.98074	2.5
122.97536	2.4
125.02435	1.8
134.97578	4.1
136.99196	1.3
148.99129	4.7
152.98639	6.1
164.98622	8.4
225.00757	13.2
255.23279	1.1
299.04327	3.5
453.44537	1.0
555.28400	100.0
556.28741	14.4
629.72009	1.0
640.25769	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	640.2973
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85933	3.3
53.78727	4.1
54.06221	4.2
58.02952	7.5
59.01382	37.1
60.90384	4.1
61.98828	53.0
62.94957	3.8
69.47926	26.4
71.01392	27.9
72.99295	10.8
73.02934	8.6
75.00863	7.3
85.02932	11.8
87.00857	7.8
88.98802	8.5
89.02448	12.4
95.01378	5.7
97.02953	5.5
99.00867	6.8
101.02419	11.4
105.01936	11.7
113.02426	11.2
119.03474	5.2
120.99620	16.0
121.02923	4.1
125.02442	10.2
127.00401	5.0
131.99226	3.9
134.03728	9.9
135.02980	7.0
135.04523	10.1
137.02377	4.9
147.04495	23.3
149.02373	6.2
149.06058	5.1
150.03180	13.8
151.03975	6.7
163.03918	5.3
164.07169	52.5
165.04085	6.4
165.05550	14.8
166.02740	4.3
181.05043	12.4
193.04994	12.7
194.05367	8.2
195.06570	13.3
206.06415	7.0
206.08217	100.0
234.16356	3.9
271.02466	6.5
315.01416	10.1
316.02222	9.5
317.02887	8.1
345.10782	4.6
358.13745	5.2
479.08060	8.6
523.27283	4.3
550.17542	4.7
641.12775	22.4
641.30646	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	640.1307
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	13.1
59.01371	4.9
61.98825	26.2
69.74437	5.5
69.74838	9.6
70.68543	2.6
71.01373	5.9
83.01386	5.1
87.00877	4.3
88.98813	3.0
90.95051	2.4
93.03459	3.3
97.02967	5.0
109.02948	20.1
119.05056	3.1
121.02953	3.9
123.04533	15.4
125.02444	100.0
126.02771	4.7
126.23125	2.6
135.02965	2.9
137.02464	19.0
139.04018	3.8
143.82054	2.6
145.86041	2.5
149.02478	4.4
151.04002	12.8
153.01862	3.9
159.04439	3.2
161.02449	28.4
162.02844	3.3
163.03987	3.6
164.01106	5.7
165.01978	6.4
167.03383	2.8
175.03976	12.1
177.01865	5.6
179.03482	5.3
187.03966	10.6
203.07114	10.8
205.04991	11.6
205.68571	2.7
227.06998	3.4
245.04431	5.5
245.08205	17.9
255.02977	12.6
256.03656	5.2
269.04599	4.9
273.04013	6.5
281.04449	4.1
285.03903	4.7
287.02322	3.6
287.05539	12.9
289.07141	70.7
290.07404	4.6
297.03751	4.9
299.05371	5.3
315.01505	5.7
339.08777	4.3
381.78918	3.0
407.07733	64.6
408.07806	7.3
425.08688	50.0
426.09470	3.0
451.10214	22.6
452.10370	3.6
559.12360	3.1
577.13470	26.3
578.13757	4.5
641.13342	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	639.2871
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40841	2.4
55.01883	4.2
57.03458	3.9
58.00602	2.0
59.01381	87.2
60.01701	2.3
60.99321	10.6
61.98832	70.4
67.64627	2.2
69.03449	5.3
69.62772	2.4
69.74749	4.1
69.75153	10.2
71.01383	52.0
71.27911	1.9
72.99303	7.8
73.02944	14.9
75.00883	32.5
83.01386	10.6
85.02962	24.5
86.16425	2.3
87.00892	12.9
88.98814	77.0
89.02444	30.9
93.75061	2.4
95.01397	6.1
96.96011	2.7
97.02950	2.9
98.20549	3.0
99.00886	7.5
101.02451	38.2
102.69449	1.9
111.00904	6.3
113.02450	24.3
119.03484	6.5
119.05046	3.4
125.02473	8.5
135.03044	3.7
139.26520	2.2
143.03508	6.1
151.00333	3.0
161.04570	6.3
178.99918	2.8
229.17938	4.0
252.93559	2.1
255.02995	5.1
284.03323	7.3
285.03894	5.1
316.02191	4.2
331.04672	7.6
373.22253	3.2
391.23346	11.1
416.02164	3.0
418.02133	2.4
477.10568	3.5
478.19803	9.9
493.09839	10.6
499.25156	3.0
535.27576	100.0
536.28027	16.3
549.12433	8.4
553.28638	86.8
554.29071	11.1
579.30078	11.7
595.30273	12.7
596.31360	2.9
597.31836	2.9
639.36438	38.3
640.35962	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	639.338
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59410	2.8
55.01858	2.9
57.03433	5.0
59.01111	3.5
59.01382	60.8
61.98829	43.5
62.23673	2.5
69.23643	27.2
71.01377	49.9
72.99306	8.0
73.02936	7.3
78.95881	3.7
83.01376	4.8
83.05014	8.0
85.02969	13.0
87.00878	13.6
89.02428	29.1
95.01382	2.8
97.06555	3.6
98.20693	3.8
99.00835	4.4
99.04507	11.9
101.02444	31.8
109.06593	3.4
111.08135	10.2
113.02451	16.9
119.03476	12.4
123.08188	4.1
125.02390	3.1
125.09731	14.6
133.06601	3.4
135.08124	5.1
137.09616	2.6
143.03488	2.8
145.05055	3.0
161.04529	9.6
171.08794	5.1
171.10268	93.6
172.10558	3.9
179.05582	7.2
191.08591	4.5
196.66817	3.0
205.15967	6.5
209.11794	21.7
211.13345	23.0
215.14340	8.6
221.15584	3.5
231.13776	4.1
233.15430	38.9
235.08231	13.5
235.13345	20.2
249.14967	46.3
253.09283	8.2
269.13403	5.2
291.42856	3.0
295.09729	5.4
299.76785	2.8
313.12265	5.3
341.24698	5.0
367.22742	6.0
375.25354	5.7
385.23776	29.5
386.24112	5.0
403.24841	59.4
404.25150	7.2
421.25800	19.3
459.27579	24.0
485.23859	4.0
577.15314	4.1
621.32782	100.0
622.33105	17.2
639.33813	91.5
640.34241	10.7
662.54230	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.3383
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46443	1.4
55.01872	2.8
56.93529	1.5
57.03422	4.9
58.00573	4.3
59.01379	100.0
61.98542	2.1
61.98831	32.9
63.83173	1.6
68.76483	1.4
68.99809	2.1
69.03448	3.7
70.73409	1.8
71.01382	57.9
71.55838	1.8
72.99315	10.7
73.02947	10.1
75.00883	14.2
83.01362	6.2
83.05020	8.7
85.02951	16.2
87.00885	12.6
88.98778	6.0
89.02447	47.2
93.03409	2.3
95.01402	3.6
96.95980	2.2
97.02930	3.3
97.06591	3.8
99.00861	4.6
99.03914	2.3
99.04518	38.5
99.92520	2.1
101.01817	2.1
101.02441	37.7
103.00312	2.4
109.02950	2.3
111.00827	2.6
111.04520	2.0
113.01749	1.6
113.02452	21.5
115.00379	8.8
116.92871	11.2
117.01875	2.6
119.03500	20.6
119.04950	4.3
121.02985	3.2
123.08121	2.7
125.02388	4.4
125.09766	1.8
127.00349	3.6
131.03464	1.8
133.06490	2.2
135.02965	2.8
135.08147	14.8
136.98996	1.4
139.00346	2.3
143.03439	4.1
147.04471	6.4
149.04544	2.6
151.00307	4.8
159.02930	1.6
161.04471	4.4
163.03928	3.4
163.11229	2.3
178.99765	1.5
179.05614	12.9
189.12863	2.7
191.14394	10.1
193.04791	1.6
212.36160	1.6
233.11749	2.7
235.13382	59.1
236.13589	6.2
240.41611	1.6
244.35591	1.6
255.02982	1.8
273.20563	1.9
301.03586	7.3
311.09314	8.8
312.09479	2.6
370.09299	1.7
414.18842	8.3
415.19324	4.9
435.25739	2.7
459.07089	1.7
459.27496	84.7
460.27817	11.0
477.27045	9.8
535.11292	2.1
537.33209	2.1
595.29871	3.3
597.34515	3.3
639.33301	66.3
640.34033	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	639.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	3.6
57.03444	6.6
58.00598	3.7
59.01377	99.1
60.99308	16.7
61.98827	63.0
67.93578	2.3
69.03451	4.5
69.19015	5.5
69.19404	25.4
71.01381	55.7
72.99299	10.9
73.02941	20.4
73.39070	2.5
75.00874	32.9
83.01369	9.1
85.02953	23.7
86.91541	2.5
87.00863	13.3
88.98804	100.0
89.02443	28.5
95.01384	7.3
97.02937	5.5
99.00878	8.9
101.02444	38.9
109.16405	2.8
111.00867	4.1
112.24172	2.2
113.02454	24.6
119.03498	7.8
119.04956	4.5
122.72269	3.2
125.02434	7.6
135.02986	5.1
143.03435	7.4
151.00404	6.8
161.04556	6.0
178.99883	3.2
180.06630	3.9
284.03149	3.2
285.04272	3.7
311.02399	2.5
331.04602	16.7
373.22202	3.2
391.23431	11.9
478.19714	9.2
493.09915	14.1
535.27527	95.6
536.28137	17.2
549.12177	7.3
550.13013	3.2
553.28613	84.0
554.29004	10.3
577.94824	2.6
579.30280	8.5
595.30225	15.9
596.22388	3.1
597.30859	3.3
639.36182	43.2
640.36182	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	639.2664
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	2.1
59.01381	7.1
59.18550	0.7
60.99296	1.0
61.98825	1.7
69.03448	1.0
71.01392	3.7
71.54884	0.9
72.99296	0.9
73.02946	0.7
81.03440	2.1
83.01397	3.3
85.02953	1.9
87.00882	1.9
88.98797	6.3
89.02443	2.5
93.03463	1.7
95.05022	3.8
96.96012	1.4
97.02953	5.5
99.00874	0.8
99.64079	0.6
101.02426	1.9
102.22015	0.6
105.01945	0.9
105.98550	0.6
107.05006	0.9
108.02183	1.2
109.02221	1.4
109.02946	21.5
111.00900	0.9
113.02440	1.6
119.03500	1.0
121.02936	3.9
123.04521	13.0
125.02449	14.9
126.02805	0.7
134.03712	1.6
135.02985	0.8
135.04503	2.0
137.02434	8.5
139.04015	2.9
145.02910	1.1
146.03705	1.1
149.02455	4.4
149.06003	0.9
150.03212	2.2
151.00378	1.2
151.04012	7.5
159.04509	2.7
160.05281	1.3
161.02463	1.2
161.06084	4.9
162.03171	1.6
163.03978	1.3
164.01138	3.1
165.01938	3.1
165.04063	1.0
165.05511	1.2
166.02702	2.7
167.03506	1.7
174.03242	0.6
175.03998	2.0
175.07632	1.8
179.03491	7.4
181.05069	2.0
185.06079	1.2
187.04001	5.6
188.04768	4.1
193.05042	3.3
202.06390	1.6
203.07138	11.4
205.05029	7.4
217.08662	0.8
221.08185	2.8
227.07120	2.8
239.93654	0.8
245.08163	16.2
246.08623	1.3
247.06088	1.2
289.07175	100.0
290.07523	7.1
342.11172	1.2
357.13492	1.9
387.14496	1.5
391.15808	1.1
405.15314	1.6
417.15753	1.7
435.16522	2.7
441.17300	0.7
459.22467	1.5
521.17047	0.8
531.07721	0.7
535.26868	1.3
640.25458	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.3231
Annotation	Unknow
Peak:m/z	Relative Intensity
56.75874	1.3
57.03446	1.7
59.01381	20.2
61.98839	6.7
65.03954	2.3
69.03448	3.0
69.43836	8.6
71.01389	11.0
72.99303	3.6
73.02959	3.0
76.67998	1.4
81.03458	1.8
81.26474	1.2
85.02962	3.8
87.00868	2.8
89.02451	4.8
91.05540	1.5
92.23640	1.2
97.06591	4.1
101.02441	9.6
103.03996	1.5
109.06561	1.3
113.02473	4.2
119.03474	1.5
121.02962	1.7
125.09727	13.0
161.04518	3.2
185.11873	2.9
187.14914	6.0
209.11761	10.6
213.12799	6.5
215.10815	1.6
231.13901	14.8
232.14421	1.4
233.11890	2.2
235.08253	3.3
246.54468	1.5
249.14888	3.4
285.49408	1.4
287.16599	2.0
301.18143	4.8
303.32068	1.5
314.46115	1.4
339.23291	2.3
365.20987	2.1
383.22369	10.7
401.23337	13.7
419.24536	3.5
447.74161	1.4
457.25626	1.8
619.31226	100.0
620.31561	17.0
637.32086	17.1
637.40112	1.7
638.32196	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.1569
Annotation	Laricitrin 3-rutinoside
Peak:m/z	Relative Intensity
59.01375	7.1
61.98843	1.8
65.00340	0.9
69.22543	6.3
69.22934	1.3
69.84424	0.5
70.30801	0.7
70.96637	0.6
72.99322	1.4
73.02944	1.6
74.99052	0.7
75.00890	0.8
75.07852	0.6
83.01391	1.0
85.02959	1.5
86.21742	0.6
87.00878	1.5
89.02454	1.3
99.00878	1.1
101.02438	1.8
107.01434	1.0
111.00870	1.1
113.02462	1.3
121.02962	1.6
125.02451	1.1
134.03760	1.2
135.02948	1.1
137.02463	0.8
149.02397	0.8
150.03235	0.9
151.00366	5.1
151.04074	0.8
164.01109	0.9
165.01926	1.0
165.04126	0.9
165.05507	1.4
166.02747	1.2
174.03276	0.9
178.02672	0.8
178.99825	1.0
181.05089	1.1
193.05013	2.1
195.06784	1.0
202.02693	1.7
203.03450	0.8
209.04451	0.9
215.03496	0.9
230.02216	7.0
231.02908	1.3
241.01492	1.2
242.02115	1.9
243.02844	1.6
258.01700	11.9
259.02438	2.9
270.01694	2.9
271.02490	2.9
272.02884	1.1
285.04050	1.7
286.01199	31.6
287.01880	7.5
288.02649	1.5
298.00851	1.1
299.01801	1.0
301.03506	16.8
302.04233	1.5
314.00687	6.6
315.01443	6.6
316.02136	7.3
325.05490	1.0
329.03012	100.0
330.03519	13.8
331.04578	31.8
331.08609	1.3
332.04779	1.9
342.11127	1.0
357.13181	1.0
387.14417	1.1
417.15466	0.8
461.07108	4.2
476.09552	29.1
477.10248	24.9
478.10593	1.2
493.10001	14.4
494.10437	1.3
535.26691	1.0
639.15643	87.5
640.15869	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	637.2716
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.4
57.03449	2.3
58.00588	0.8
59.01382	100.0
61.98837	1.0
69.03458	1.3
69.42175	4.8
69.42590	1.6
71.01382	30.9
72.01751	1.0
72.99306	2.7
73.02950	7.1
73.95029	0.8
81.03480	1.0
83.01377	4.0
85.02957	14.1
87.00867	2.9
88.98814	2.0
89.02445	10.7
95.01401	2.0
96.95977	1.3
97.02944	0.9
99.00879	3.6
101.02441	16.4
105.01881	1.0
109.01115	0.7
109.02917	1.3
111.00890	0.8
113.02460	14.5
119.03519	2.8
119.05041	0.9
125.02465	1.9
127.03941	0.8
134.03760	1.5
135.02910	0.8
137.02446	1.3
137.14793	0.8
139.07655	0.9
143.03516	2.2
147.56276	0.8
149.05980	1.1
150.03313	1.0
151.03998	1.0
155.10797	3.0
159.02985	2.4
161.04552	12.9
165.04060	3.3
165.05473	0.9
166.03880	0.8
179.05580	1.8
193.05069	2.9
193.37851	0.9
227.16541	5.8
256.68863	0.8
289.07166	1.4
371.20743	4.8
389.21783	5.3
499.96454	1.0
533.26062	45.8
534.26489	5.9
551.27008	11.6
552.27802	1.6
577.28473	2.7
593.27942	6.3
601.07001	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2713
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	3.5
57.03453	2.2
59.01380	100.0
61.98820	1.8
69.03443	2.5
71.01381	39.6
71.55248	1.4
71.55617	1.3
72.99300	3.6
73.02954	11.4
73.10777	1.1
75.00858	1.4
78.54848	1.4
83.01389	7.4
85.02946	17.0
87.00873	4.1
89.02445	14.3
93.03464	1.4
95.01349	5.8
96.96017	1.8
97.02974	2.3
99.00875	6.2
101.02441	30.1
102.78904	1.1
102.98595	1.3
105.01946	2.6
107.68514	1.1
111.00880	1.8
112.01662	1.5
113.02452	20.9
117.46079	1.1
119.03517	6.6
125.02470	5.7
129.01952	1.8
134.03735	2.6
143.03490	3.9
149.06067	1.5
159.03049	2.4
161.04552	10.3
165.04054	6.2
179.05594	2.8
193.05095	2.9
205.03554	3.0
211.07640	1.6
227.16505	1.2
239.10727	1.4
241.04973	1.6
269.04681	1.5
298.04840	1.5
327.08594	2.4
352.39285	1.5
371.20673	4.9
389.12112	1.7
389.21671	3.4
427.47495	1.4
433.14642	2.0
459.94324	1.2
517.26385	11.7
533.25989	54.2
534.26392	5.4
535.27594	3.4
551.27039	25.6
552.27441	3.3
577.28632	4.4
593.28247	9.2
595.30066	1.8
637.13110	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.3077
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.7
57.03428	0.9
59.01378	100.0
60.01709	1.0
61.98810	0.7
62.61345	0.7
69.03476	0.9
71.01378	16.8
71.55483	0.7
72.99311	1.9
73.02946	4.8
77.12574	0.7
83.01398	2.9
85.02947	6.7
87.00884	2.2
89.02448	6.3
94.87202	0.7
95.01400	2.5
99.00896	1.3
101.02444	9.3
105.01960	1.4
108.92424	0.7
113.02454	7.7
119.03504	1.9
125.02445	1.7
135.03033	0.7
143.03545	2.0
159.03020	0.8
161.04564	4.7
165.04007	3.3
178.02853	0.8
179.05609	1.2
193.05118	1.6
205.03604	0.9
211.07599	0.8
227.53629	0.9
230.46683	0.7
318.13550	0.7
371.20566	0.8
373.22202	0.9
376.91800	0.7
517.26489	25.4
517.34058	1.3
518.26886	3.0
533.25970	11.7
533.33673	1.1
534.26477	1.7
535.27588	7.8
551.27118	5.4
575.42230	0.8
577.28900	7.4
578.29230	1.0
593.28339	1.0
595.30206	1.7
637.14264	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2712
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.7
57.03427	1.6
59.01379	100.0
60.01735	0.9
61.98823	0.8
69.03459	1.0
69.31962	0.6
69.59058	3.3
71.01382	32.1
71.05034	0.9
72.38629	0.6
72.99317	1.7
73.02953	8.5
83.01395	3.8
85.02951	13.6
87.00870	2.4
89.02447	9.4
95.01401	3.1
97.02979	1.1
98.20658	0.7
99.00885	2.8
101.02448	16.9
113.02447	17.4
119.03537	2.5
119.05043	0.7
121.03020	0.6
125.02471	1.4
137.02533	0.8
143.03514	2.6
150.03166	0.6
155.10806	4.0
159.03038	2.8
161.04552	13.8
165.04105	1.3
165.05559	0.7
179.05643	1.9
193.05156	0.9
227.16473	7.5
289.07193	2.0
371.20740	5.7
389.21796	7.0
406.62204	0.6
431.22964	0.7
437.40021	0.7
456.18585	0.7
533.26019	45.9
534.26361	5.9
551.27124	12.7
552.28168	1.1
593.28094	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	637.2663
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98821	1.6
65.28210	0.7
71.09288	1.1
71.09646	1.7
87.90742	0.7
116.92808	1.3
143.46320	0.8
314.71390	0.8
351.17032	0.7
354.79269	0.7
405.17365	1.4
432.15735	0.9
433.16266	7.8
434.17282	7.0
435.17746	1.6
446.17502	1.1
447.18228	7.6
448.18985	11.5
449.19647	3.6
461.19516	2.4
462.20938	9.5
463.21313	5.4
464.21890	0.9
475.17255	1.9
477.19046	1.6
489.19284	1.6
492.18042	1.5
493.18661	3.0
506.19443	3.4
507.20471	4.5
521.22192	17.8
522.22345	4.1
535.19812	2.9
536.20251	1.2
550.22455	1.3
551.22852	2.9
577.24646	1.7
587.95319	0.9
593.24066	2.3
594.24695	2.1
608.26349	19.2
609.26935	6.9
610.27399	1.0
622.24048	3.6
623.23999	1.0
637.26611	100.0
638.26935	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	637.2714
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	4.7
57.03437	4.0
58.00602	2.3
59.01380	100.0
61.98833	12.7
69.03448	17.5
71.01386	60.6
71.01777	3.2
71.55195	3.7
72.99310	13.9
73.02942	21.9
73.58193	2.5
75.00872	2.5
76.49979	2.2
83.01381	10.5
83.94682	2.2
85.02953	29.9
87.00875	10.0
88.98800	11.2
89.02454	22.0
93.03436	5.5
95.01398	7.7
96.95956	2.7
97.02971	3.4
99.00877	10.8
99.04519	2.5
101.02441	50.5
105.01926	6.8
109.02960	2.0
113.02457	31.8
113.41454	2.4
115.00387	3.2
117.97288	2.4
119.03516	6.9
119.05008	4.6
121.02983	2.5
125.02433	8.8
134.03703	4.0
135.03064	2.8
135.98396	5.9
136.99133	2.8
137.02467	2.8
139.00328	4.1
143.03505	5.5
147.04568	2.8
149.02486	9.1
159.02939	4.9
161.04573	21.8
162.03299	4.1
163.04056	4.8
164.04781	5.4
178.02773	3.9
179.05614	4.1
181.05099	2.6
181.07111	3.2
185.00908	8.4
193.01395	8.2
193.04991	10.7
195.08177	3.9
206.04640	2.4
208.03741	17.3
221.09705	6.9
223.06107	47.0
223.08101	4.5
227.16499	2.2
239.10756	3.4
249.09135	3.4
259.06009	2.8
264.08545	2.6
284.03241	3.6
298.92902	2.6
371.20645	9.5
373.13150	7.1
389.21930	5.6
403.14063	3.1
415.23209	5.5
433.15353	22.1
433.24384	2.9
434.15274	3.8
451.25580	8.1
473.14511	11.3
489.13998	3.3
533.26019	69.1
534.26520	9.3
551.27106	49.9
552.27417	5.0
577.28357	17.2
582.18066	2.8
593.28052	8.2
595.29492	11.9
637.20563	5.9
637.29224	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	635.4527
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13951	0.8
54.81423	0.8
55.49382	0.8
59.01380	100.0
60.01705	1.1
61.98818	1.2
65.86227	0.9
66.89124	0.7
70.20950	0.9
70.21295	2.9
71.01395	3.0
88.86400	0.7
89.02453	3.1
101.02456	2.3
110.89920	0.7
113.02451	1.5
119.03499	2.2
144.36023	0.8
162.55440	0.8
179.83846	0.8
182.64772	0.9
207.73689	0.7
215.18019	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.2607
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	0.4
60.84976	0.3
61.98825	0.7
73.02944	7.0
75.74110	0.3
99.00887	1.3
99.52866	0.3
99.92584	8.5
116.92864	100.0
116.97251	5.8
117.01940	14.9
117.92876	3.7
222.44438	0.3
279.23383	0.6
300.15570	0.3
355.70905	0.3
409.64023	0.3
504.31378	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.2657
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02974	15.2
59.01377	14.7
61.98808	0.9
62.70079	0.8
69.03425	1.1
70.02961	4.5
71.01373	6.9
72.00897	2.1
72.99305	1.4
73.02956	2.4
78.24702	0.7
81.03419	1.0
85.02949	2.7
86.25011	0.8
87.00838	1.1
89.02465	5.5
91.05518	4.5
92.05942	0.9
97.02957	1.0
98.19881	2.2
101.02444	4.5
113.02452	4.0
119.03510	3.4
121.03028	0.8
125.02410	2.4
129.01984	1.1
131.20029	0.8
135.03011	0.9
143.03471	1.0
147.04514	19.6
155.39647	0.9
161.04562	2.1
164.07164	61.4
165.01912	1.1
165.05486	1.3
165.07524	1.6
179.05576	1.7
193.05002	1.3
195.06516	1.6
205.03490	3.2
206.08215	100.0
207.08534	3.9
207.13875	1.0
450.20639	1.8
533.26202	4.7
551.26984	1.1
636.22009	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.3489
Annotation	Unknow
Peak:m/z	Relative Intensity
58.38499	1.0
59.01380	100.0
60.00652	1.1
61.98814	3.1
67.39259	1.1
70.77397	3.3
78.95890	1.8
141.01714	75.3
183.07208	1.1
191.18784	1.2
255.23346	2.3
458.07687	1.1
480.30939	4.3
578.31201	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.4244
Annotation	Unknow
Peak:m/z	Relative Intensity
59.14619	0.3
60.86825	0.3
61.98832	0.7
71.38629	0.6
75.10866	0.3
78.95902	8.9
81.65659	0.4
102.32066	0.3
122.00127	0.6
128.82167	0.3
140.01195	4.1
151.96268	0.3
152.99484	0.5
154.93819	0.3
155.14397	3.4
166.00079	0.4
183.13910	1.7
196.03786	1.9
199.13417	1.0
201.14961	100.0
202.15298	5.0
255.23297	33.8
256.23688	2.6
380.18420	0.9
398.19434	0.8
434.26956	0.6
452.27798	3.2
538.89423	0.3
576.23230	0.6
636.26965	2.0
636.42395	22.0
637.42969	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	637.1328
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	18.7
61.98831	12.0
65.78033	1.9
68.99852	2.8
71.01371	10.6
71.12766	3.8
72.99307	12.2
73.02967	2.6
79.69046	1.7
83.01382	3.7
85.02938	4.1
87.00874	23.5
89.02442	7.2
99.00858	4.2
101.02426	5.7
105.01932	4.1
109.06637	2.5
111.00880	3.6
112.98592	2.2
113.02448	4.8
115.05598	4.3
121.02946	6.6
125.45495	1.7
127.00388	5.0
129.01958	5.0
132.02353	1.6
133.54742	1.9
136.05348	2.2
139.00351	2.5
145.23402	1.8
147.04523	42.5
148.04848	2.4
151.04094	2.3
157.01440	5.2
161.00946	3.6
169.01381	2.4
175.02461	4.5
187.65317	2.0
197.72525	1.7
207.11795	2.7
223.04289	1.8
233.09731	5.9
251.10797	9.9
287.04187	2.3
295.09738	100.0
296.09946	8.5
401.23160	3.1
457.25757	2.5
601.26221	6.6
637.33710	13.7
655.08746	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.2512
Annotation	Unknow
Peak:m/z	Relative Intensity
56.50282	0.8
59.01381	1.9
61.98825	2.1
67.56260	0.9
70.23386	0.7
73.02946	3.7
80.96477	1.2
85.35752	0.9
99.92570	4.7
114.93390	2.4
115.00411	1.1
116.92862	66.5
116.97231	5.6
117.01943	7.3
215.02687	1.1
229.16212	1.0
234.95442	0.9
279.23499	1.2
307.28656	0.9
367.68951	0.9
431.14670	1.1
446.16974	1.3
447.17850	1.2
473.19879	2.6
474.16959	3.7
475.17722	16.0
476.17853	2.9
489.19135	3.4
490.19827	1.4
533.18152	11.8
534.18311	1.5
547.20020	1.8
548.20728	0.9
577.26569	2.9
635.25055	100.0
636.25317	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	635.2512
Annotation	CHEMBL412737
Peak:m/z	Relative Intensity
59.01376	1.0
61.98828	1.6
63.18324	0.5
71.09898	1.1
105.35968	0.7
140.86470	0.7
142.36815	0.7
159.93604	0.7
163.21472	0.7
256.21570	0.6
304.51187	0.6
418.82526	0.6
431.15125	1.5
432.15872	1.6
445.16739	1.0
446.17358	1.3
447.18469	0.7
473.20145	1.1
474.16669	3.9
475.17770	16.7
476.18207	2.7
488.18198	0.6
489.19373	4.3
490.19974	0.8
533.18225	14.2
534.18835	3.1
535.15350	0.6
547.19824	1.0
635.25104	100.0
636.25403	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	635.251
Annotation	CHEMBL412737
Peak:m/z	Relative Intensity
61.98817	1.6
62.52057	0.8
64.37728	0.9
70.51548	0.7
76.95903	0.8
77.39554	0.7
78.95900	1.0
91.97421	0.7
201.14958	3.2
211.87006	0.8
251.83792	0.8
255.23190	1.8
322.83673	0.7
419.18549	1.8
430.13754	1.6
431.19308	3.5
445.16708	3.2
454.97586	0.7
458.17429	2.6
459.18884	1.2
473.15991	3.4
473.20847	1.3
474.16666	7.1
475.17441	3.6
487.17487	1.8
488.18497	5.9
489.19308	4.9
490.20175	5.5
501.19226	1.8
505.22342	4.8
516.18134	2.8
526.20685	0.8
529.18976	1.7
549.21326	2.3
559.23596	1.5
560.20587	1.1
575.22961	14.4
576.23413	8.3
577.23651	0.9
582.05377	0.9
603.22571	2.2
635.25067	100.0
636.25385	17.2
636.41815	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.2202
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34214	0.6
55.01876	1.8
55.23851	0.6
57.03442	2.0
57.14798	0.6
59.01380	18.9
61.98821	2.7
67.01894	0.8
69.03450	4.8
71.01378	14.2
72.99310	36.9
73.02941	2.3
75.00878	6.2
81.03458	24.2
83.01374	1.6
85.02969	6.2
86.27351	0.6
87.00875	9.3
89.02452	7.1
93.03443	0.6
95.01393	0.9
96.96012	4.5
97.02954	2.5
99.00880	16.8
99.04501	1.5
101.02438	6.2
103.00353	0.7
105.01933	2.6
113.02451	8.9
115.00328	0.6
115.04027	0.8
117.01907	3.2
119.03497	3.0
119.05002	5.0
125.02448	61.1
126.02761	1.4
129.01938	4.0
131.03502	3.1
135.02995	1.1
142.99826	3.1
143.03506	8.1
147.02963	1.7
147.04510	1.6
161.04579	4.3
161.13353	2.2
163.03970	0.9
163.07671	0.7
165.01842	0.8
169.01370	2.7
172.58542	0.7
175.49370	0.6
177.04128	1.0
179.00111	1.4
179.05716	1.6
185.00951	2.2
187.02411	2.1
187.11311	0.8
189.12805	0.7
197.09912	0.7
205.03525	100.0
205.12296	4.0
206.03876	2.8
206.12595	1.0
207.13901	0.8
223.04573	8.1
229.53040	0.7
249.11409	4.8
249.13582	1.0
250.11487	0.8
251.12523	1.1
255.02965	1.2
267.10294	1.3
284.03271	1.0
291.03534	1.7
311.09274	5.6
327.08838	1.2
357.13449	1.2
369.13470	1.2
399.10834	4.2
429.17590	7.4
455.09473	1.0
455.15509	0.8
591.22113	1.1
617.20465	3.2
618.21057	0.8
635.21863	16.3
635.31500	0.7
636.22290	1.1
646.33557	0.8
658.19824	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.2195
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32687	0.8
51.91627	0.8
54.83918	1.0
55.01878	2.3
57.03445	1.1
59.01104	1.6
59.01381	19.8
61.98814	1.1
63.33457	0.8
65.17563	0.9
69.03454	4.3
71.01383	13.6
71.55460	1.2
72.99309	19.0
73.02950	3.6
75.00874	3.2
79.30311	0.8
81.03458	23.6
83.01402	1.6
83.05016	1.2
84.57838	0.9
85.02960	7.7
87.00860	3.5
89.02451	12.2
94.86146	1.0
95.01396	1.6
96.95998	2.3
97.02937	2.5
99.00879	19.2
101.02440	7.2
105.01968	1.2
113.02468	9.6
117.01933	4.0
119.03505	3.4
119.05004	1.1
121.46838	0.9
125.02448	68.8
126.02769	1.4
129.01964	5.4
131.03482	3.7
136.26004	1.0
141.01953	1.2
143.03506	10.9
143.79269	0.9
147.02991	2.2
149.02466	1.0
149.04530	2.3
150.03180	1.4
154.32759	1.0
159.03027	1.0
161.04536	5.8
161.13335	1.0
165.01938	1.2
165.05614	1.6
179.05554	1.7
187.02382	1.3
195.06563	1.6
205.03517	100.0
205.12411	1.6
206.03830	3.3
206.08162	2.7
207.13853	1.1
217.18292	1.1
223.04546	16.6
249.11394	1.8
263.72568	0.9
284.11545	0.9
324.22122	0.9
329.09293	1.0
362.53128	1.1
369.19174	3.3
411.19934	1.3
429.17554	3.5
497.19388	1.0
518.26172	1.1
531.24756	2.8
549.25049	1.4
617.21045	4.5
635.21875	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	635.2199
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	1.9
57.03457	1.0
57.40091	0.8
59.01377	18.3
61.98827	2.6
64.44430	1.0
67.01882	0.9
68.43900	0.9
69.03447	6.0
69.21169	0.7
69.21500	8.2
71.01382	12.6
72.99306	32.9
73.02946	2.2
75.00868	5.0
81.03455	20.8
83.01381	1.6
85.02939	6.6
87.00878	9.5
89.02441	7.5
96.95999	4.0
97.02963	1.9
98.17649	0.8
98.19939	1.6
99.00879	15.9
99.04511	2.0
101.02477	4.5
105.01926	1.4
111.00896	1.0
113.02438	8.4
117.01933	3.4
118.98101	1.0
119.03506	3.5
119.05028	4.6
125.02446	57.8
126.02781	1.8
129.01913	3.1
129.97618	0.7
131.03513	2.2
135.02980	1.1
142.99820	4.2
143.03500	10.1
147.02956	1.6
161.04572	4.3
161.13365	2.0
163.03957	1.2
169.01427	2.8
179.05583	2.5
185.00911	1.5
187.02437	1.1
205.03517	100.0
205.12253	5.0
206.03853	3.2
223.04582	10.6
249.11316	4.8
284.03247	0.9
291.03534	0.9
306.62549	0.8
311.09167	4.8
342.11111	1.1
369.13773	1.0
374.22400	0.9
399.11044	4.6
429.17651	7.6
430.18073	1.0
455.09512	0.9
575.27057	1.0
591.21094	1.2
617.20624	4.0
635.21924	15.2
635.31360	1.4
636.22424	1.7
648.75995	1.1
658.16406	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66138	1.1
55.01878	3.2
59.01380	35.6
69.03456	23.9
71.01378	17.9
71.36382	1.2
72.99310	24.3
73.02942	3.7
74.02471	3.0
75.00882	4.5
81.03453	24.9
83.01382	2.1
83.58411	1.2
85.02970	6.7
87.00874	5.4
87.04555	1.1
89.02446	13.3
95.01390	2.3
96.96043	1.4
97.02948	7.1
99.00884	21.2
99.04529	3.4
101.02459	8.1
105.01945	2.9
113.02440	8.8
115.76623	1.1
117.01923	2.6
119.03478	5.6
119.04958	2.4
125.02451	56.2
129.01927	3.8
131.03523	1.9
141.01965	2.6
143.03502	10.9
152.80466	1.6
161.04544	5.3
161.13400	2.1
169.01440	2.6
179.05577	3.9
185.00894	10.0
187.02608	1.7
187.11279	1.4
196.96849	1.2
203.08261	2.8
205.03532	100.0
205.12228	6.4
206.03865	2.3
207.13834	2.5
209.11847	4.8
223.04567	10.1
225.14938	3.0
245.09355	7.0
249.11348	3.8
251.12772	2.2
254.52304	1.2
255.02933	5.1
269.13956	18.1
271.77136	1.4
283.02454	10.2
284.02933	1.2
285.03983	6.3
327.08838	2.1
349.79684	1.2
354.87625	1.2
371.72574	1.2
395.60645	1.3
429.17603	10.2
430.09018	1.5
431.09723	4.7
449.20255	47.0
450.20636	3.6
494.05453	1.3
531.24615	3.3
549.25586	2.8
617.21008	4.4
635.22870	12.9
636.22162	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	633.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
55.10453	2.4
59.01361	2.7
61.98809	3.3
69.22872	26.6
71.01382	11.2
72.99300	6.6
75.95927	2.6
77.15061	2.4
85.02940	2.8
87.00877	19.4
92.40656	2.7
99.00868	6.6
103.05524	3.6
111.00869	4.4
113.02457	3.6
127.00364	42.4
129.01949	7.8
129.90691	2.6
141.85963	2.4
147.04517	41.0
157.01439	14.0
169.01425	5.8
175.02513	3.3
199.02516	12.4
207.11766	4.1
211.02599	4.1
229.03513	13.2
233.09615	3.5
251.10718	12.2
263.00751	2.8
277.08582	3.4
287.04044	6.8
295.09735	100.0
296.09976	8.7
319.06625	5.4
411.54425	3.4
596.22260	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	634.2456
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.8
61.98830	0.7
71.01371	0.3
73.02946	10.9
75.00872	0.4
78.95915	0.4
86.23194	0.3
99.00887	1.1
99.92589	8.4
100.92639	0.3
102.87886	0.3
114.35056	0.3
114.93442	0.4
116.92861	100.0
116.97250	7.8
117.01939	24.1
117.92876	4.6
125.64289	0.3
145.39413	0.3
231.59181	0.3
277.21719	0.7
278.22128	0.3
285.82242	0.2
355.97195	0.3
479.82043	0.3
485.53574	0.3
502.29645	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	634.4087
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34676	0.3
61.98842	0.8
62.77109	0.2
70.50210	0.5
78.95902	9.5
88.31217	0.2
96.96942	0.4
103.63325	0.2
122.00116	0.8
140.01173	3.8
149.89597	0.3
153.12904	0.4
155.14510	0.6
169.45030	0.3
181.12357	1.1
196.03841	2.0
199.13382	100.0
200.13728	5.1
206.58734	0.3
255.23286	33.0
256.23602	2.7
266.43127	0.3
378.16696	0.6
396.17767	0.3
399.14197	0.4
434.26755	0.9
452.27869	4.4
453.28180	0.6
498.51373	0.3
634.40802	14.3
635.41760	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	635.1617
Annotation	Unknow
Peak:m/z	Relative Intensity
56.07444	0.3
59.01378	3.1
61.98838	0.4
64.67490	0.4
65.00336	0.5
66.51122	0.3
69.22811	3.3
71.01379	1.5
72.99309	1.4
83.01389	0.8
87.00864	0.4
89.02463	0.9
96.95990	0.9
101.02477	0.5
107.01383	1.6
109.02931	1.6
119.03503	0.4
121.02964	0.4
132.21802	0.3
132.22806	0.5
133.02994	0.6
135.00885	0.8
135.02997	0.4
147.04463	0.5
149.02411	0.5
151.00363	5.4
159.04539	0.7
163.00369	2.1
165.01930	0.7
169.01566	0.4
171.04501	0.7
173.06073	0.4
175.03955	0.9
175.62602	0.3
178.99860	1.0
183.04492	0.5
185.06064	1.2
187.03995	1.1
189.01968	0.8
190.99902	0.5
197.02252	0.4
199.03984	3.3
201.01912	1.3
201.05585	0.9
203.03578	0.5
211.03979	1.8
213.01791	0.7
214.02765	0.5
215.03496	2.3
226.02690	1.4
227.03484	4.5
228.04126	0.5
229.04965	2.0
231.03027	0.4
242.02000	0.4
243.02994	4.5
245.04411	0.8
251.12631	0.4
254.02232	0.8
255.02963	5.6
256.03540	1.0
257.04559	0.8
271.02469	56.4
272.02798	4.3
273.04001	0.7
283.02435	0.7
299.01959	100.0
300.02521	15.0
301.03519	52.3
301.10672	0.6
302.03915	4.0
311.09326	1.1
345.43835	0.4
402.04654	0.4
408.51062	0.3
431.18997	0.5
444.61087	0.4
446.08527	34.5
447.09250	24.2
448.09641	2.0
489.10300	10.0
490.10645	1.2
492.04028	0.4
593.15222	2.1
635.16168	79.8
636.16455	12.0
645.52136	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.1461
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	4.5
59.01377	15.2
60.10653	1.3
61.98832	10.7
63.13803	1.3
64.06882	1.3
69.03450	3.1
69.52207	10.5
71.01383	39.7
72.99310	41.7
73.02953	4.5
74.02459	4.0
75.00864	1.5
83.01390	18.4
85.02944	2.7
87.00876	74.1
89.02444	5.3
93.03460	6.2
96.99273	1.4
99.00880	20.2
101.02425	4.2
105.01935	74.9
109.02943	2.1
111.00905	1.6
113.02463	4.0
115.00388	3.5
116.03500	1.6
117.01911	1.9
119.03571	2.5
119.05029	67.1
121.02913	1.6
125.02441	1.6
127.00370	17.1
129.01999	1.7
130.69878	1.4
135.02983	2.7
135.04555	1.9
141.01897	3.0
142.99858	16.0
143.05000	4.6
145.02986	3.2
145.06529	2.2
147.04480	1.9
157.12434	1.4
161.00912	3.8
163.04004	46.0
164.04266	1.5
175.02499	1.4
177.03908	1.8
185.00885	3.7
195.06560	1.5
203.08299	2.7
205.12396	1.8
211.07607	4.2
223.07516	2.1
226.16104	1.6
228.89917	1.3
237.09164	14.4
238.09615	1.7
239.10722	4.7
245.09268	13.1
251.05602	16.8
265.08514	3.6
273.02524	4.0
275.10284	1.6
283.09708	11.4
291.03537	2.5
296.11404	1.3
305.04932	2.5
311.09149	4.1
323.06171	3.7
327.08728	100.0
328.09015	5.8
371.11432	2.8
415.10300	58.5
415.15817	3.3
416.10721	5.0
447.18515	1.9
521.61041	1.6
567.20660	1.5
601.11597	1.9
614.62683	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04707	2.8
55.15887	3.5
59.01387	4.0
61.98838	5.0
63.42716	3.8
69.19785	30.1
71.01402	8.5
72.99319	10.0
79.79183	3.6
80.85861	3.1
83.01388	3.7
85.02946	3.9
87.00864	17.4
98.19920	5.9
99.00892	9.6
111.00854	4.1
127.00372	50.7
129.01944	10.5
147.04518	47.6
157.01401	14.3
168.94321	3.4
169.01431	7.8
175.02475	5.4
199.02440	18.1
207.11894	3.6
229.03491	18.7
249.97379	4.2
251.10707	11.2
287.04083	3.8
295.09760	100.0
296.10095	9.7
319.06570	12.0
323.06570	3.6
437.63495	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	631.2422
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37622	1.8
59.01369	5.6
61.98831	9.1
65.47869	1.6
71.55495	2.1
73.02951	6.8
75.00874	4.2
99.00883	4.3
99.92585	14.6
115.00376	3.6
116.03584	2.2
116.07157	4.0
116.92867	100.0
116.97272	4.2
117.01974	16.2
117.05563	3.8
117.92892	4.4
127.39207	1.9
138.26218	1.8
156.71622	1.6
277.21667	4.4
288.06384	1.9
343.93347	1.8
352.82440	1.8
384.10944	2.0
469.33313	2.4
551.55853	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
58.37357	2.6
59.01379	7.2
61.98828	7.7
69.17057	5.5
69.17459	21.2
71.01366	3.0
71.05036	2.5
73.02957	14.5
75.00864	14.5
89.02457	4.3
92.92891	2.9
99.00877	5.3
99.92581	15.0
103.94540	2.5
115.00451	5.9
115.03991	3.7
116.03541	4.0
116.07189	8.1
116.92870	100.0
116.97231	9.5
117.01944	28.2
117.05562	12.2
117.92855	3.3
125.67945	2.7
253.09300	2.6
277.21677	6.8
386.19260	3.1
463.59531	3.0
599.53162	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	631.3335
Annotation	Unknow
Peak:m/z	Relative Intensity
57.67393	2.1
58.00591	3.0
59.01377	76.8
61.98833	15.3
70.77119	4.7
70.77452	1.7
71.01382	51.4
72.99312	30.3
73.02941	8.1
75.00869	7.8
75.96420	1.6
83.01374	3.0
85.02955	6.6
87.00891	12.0
89.02443	80.5
96.24332	1.7
96.96007	4.2
99.00879	5.0
101.02440	40.3
105.01929	2.7
109.02975	2.0
111.00897	1.9
113.02446	11.2
117.01929	9.0
119.03514	3.7
119.05005	2.6
125.02415	2.4
129.01926	2.4
131.03513	37.9
135.02989	34.0
147.04517	5.4
149.04555	100.0
154.46735	1.7
161.04550	2.9
163.03951	2.5
171.41034	1.8
173.00966	2.3
191.01918	2.7
191.05588	18.2
191.68625	2.2
201.11327	4.4
211.13374	3.8
233.09659	2.9
251.10806	2.6
263.04010	2.2
295.09796	17.4
300.02563	2.9
311.09479	7.6
321.04541	3.1
322.12277	2.2
413.12317	2.1
508.83405	2.1
571.30774	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	631.4076
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98822	1.6
63.54715	0.9
63.85168	0.7
70.01745	3.3
72.00903	1.8
73.03679	1.5
73.04070	24.0
78.95914	1.0
82.06602	0.9
83.02532	1.0
84.00892	1.7
91.05514	1.3
99.01998	3.1
114.42205	0.9
118.06625	4.4
130.06209	1.0
130.08687	1.1
131.27280	0.8
137.10834	2.0
139.08815	1.3
141.10335	2.2
143.11888	2.0
147.04535	9.3
151.08725	2.8
152.07161	1.5
152.99600	0.9
159.77275	0.8
164.07153	17.5
165.07567	0.9
165.10359	6.1
168.11418	5.8
169.09880	5.3
177.10332	5.6
183.11310	1.2
186.12479	27.8
189.10286	3.6
200.13905	1.0
203.08195	1.6
205.20195	0.8
221.09299	2.1
225.13583	3.5
226.21800	5.9
243.14589	6.5
266.21252	2.1
270.20621	1.0
283.23920	25.6
284.24258	2.3
290.18768	4.6
312.17264	1.8
347.20776	5.1
378.31543	1.6
392.32828	0.9
396.32614	0.8
518.20111	0.8
555.28870	0.9
557.41174	1.3
569.40631	1.5
601.39734	37.5
602.40088	6.8
613.39587	2.2
631.40759	100.0
632.41016	15.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.4902
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60620	0.3
55.28234	0.3
61.98830	100.0
70.94768	0.6
77.34492	0.3
126.99905	0.3
131.69652	0.3
137.32417	0.3
163.12971	0.3
176.92009	0.3
269.04733	0.3
341.92700	0.3
473.01785	0.3
497.94244	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	626.136
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	1.1
61.98828	100.0
65.81493	0.2
66.27578	0.2
69.92344	1.2
71.01375	0.5
71.63352	0.2
72.76488	0.3
73.96586	0.2
75.00919	0.2
85.02994	0.3
148.07762	0.4
149.02399	0.5
150.03224	1.2
151.51434	0.3
165.05579	1.0
172.61873	0.2
185.06180	0.3
190.31805	0.2
195.06636	0.6
202.60248	0.3
207.48172	0.3
227.03583	0.3
255.02972	3.5
283.02475	11.5
284.03073	1.4
285.04044	3.6
300.02893	0.4
357.13589	0.3
360.39139	0.2
417.08383	1.1
430.09039	4.0
431.09726	1.0
519.18805	0.6
563.14014	14.8
564.14417	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	627.2098
Annotation	Chlorophyllide b
Peak:m/z	Relative Intensity
56.49905	0.3
59.01360	0.3
69.26234	0.3
69.75350	0.3
73.02955	0.5
74.29998	0.3
88.67369	0.3
99.99345	0.3
193.10577	0.4
305.17416	0.3
341.62875	0.4
437.12622	1.0
438.13257	2.1
450.13373	0.4
451.13968	1.3
452.15027	4.2
453.15179	0.9
465.15616	1.2
466.16379	0.9
467.17932	0.4
469.11377	0.8
479.17688	0.8
480.14612	1.0
481.15054	9.1
482.15176	2.1
484.14148	0.7
493.15668	1.6
494.15723	0.9
495.16769	18.6
496.17026	3.1
507.16632	1.5
508.18118	2.4
509.17978	1.4
512.13629	1.3
521.14825	0.5
522.15027	0.7
523.15808	1.0
526.15106	1.1
533.18250	0.8
535.16162	2.5
536.17072	2.8
537.17853	0.5
539.15833	0.9
540.16840	3.3
541.16821	0.4
550.15161	0.4
551.19385	40.8
552.19629	8.2
553.17389	0.7
554.17877	1.2
555.18646	1.3
567.18817	0.5
568.16272	1.2
572.15466	3.5
586.16675	2.0
595.18298	9.0
596.18524	1.5
627.20953	100.0
628.21216	22.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.1071
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53728	1.5
53.86650	1.7
57.71505	1.6
59.01385	5.0
61.98827	15.8
69.19022	18.2
69.19371	1.5
71.01394	3.5
72.99309	2.8
73.02959	1.6
85.17229	1.7
87.00866	2.2
96.96000	1.7
98.88038	1.6
104.82008	1.7
107.01308	2.2
113.00175	1.6
120.43956	1.8
127.00310	1.7
151.00409	3.4
178.99814	2.4
198.78305	1.9
226.02670	1.8
227.03601	2.3
243.02948	10.3
254.02144	2.6
255.03020	23.6
271.02457	54.0
272.02844	3.6
283.02542	2.7
285.04211	1.9
299.01852	2.6
300.02734	100.0
301.03360	13.3
327.08762	4.9
392.43182	1.9
445.16977	2.0
529.49109	2.0
593.14893	3.3
595.13062	90.0
596.13556	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	631.1669
Annotation	Unknow
Peak:m/z	Relative Intensity
54.66946	1.4
55.01863	1.8
57.03421	1.5
59.01376	8.9
65.83076	1.5
68.99818	5.0
69.03438	2.9
69.20910	8.1
69.21336	6.5
71.01382	14.9
72.99310	28.3
73.02932	4.0
75.00867	2.2
83.01385	4.0
85.02945	4.1
87.00874	25.3
89.02447	3.9
93.03458	3.1
99.00905	8.5
101.02441	4.0
111.00875	5.2
112.96308	1.8
113.02429	4.4
115.00396	2.5
117.01954	14.6
119.05037	34.9
120.05337	1.5
125.02389	1.5
127.00369	55.9
128.00778	1.3
129.01950	12.4
131.03522	1.8
131.04999	2.0
139.00362	2.2
141.01900	4.1
145.01451	1.7
147.04526	23.8
151.07672	1.7
151.88597	1.4
153.01947	2.6
154.99809	1.6
157.01428	17.3
163.04004	27.9
164.04294	2.0
169.01402	9.0
173.00896	4.5
175.02415	5.0
181.01382	3.5
183.02969	1.9
193.91708	1.5
195.08159	8.6
196.06396	1.3
196.08315	1.7
199.02519	13.2
200.92911	1.6
211.02443	3.9
221.09653	2.4
223.11292	5.5
229.03493	17.4
251.10698	3.7
252.74681	1.7
257.03104	2.7
267.10315	14.9
287.03983	4.9
290.43323	1.7
295.09744	27.2
296.10034	4.1
305.05115	4.4
311.09235	100.0
312.09531	7.3
319.06717	6.4
324.74658	1.6
397.73557	1.5
413.12668	9.2
631.32800	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	625.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
54.95041	0.3
59.01367	1.0
61.98817	0.7
71.01377	1.6
72.60002	0.2
73.02934	0.4
74.36903	0.3
85.02961	0.4
89.02415	0.3
93.03420	0.3
98.19909	0.5
99.00893	0.5
99.92592	0.3
101.02428	0.6
104.89114	0.2
106.98382	0.3
108.02210	0.3
113.02444	0.5
115.92076	1.0
116.92876	2.7
121.02956	100.0
122.03266	2.7
136.01703	0.4
151.03958	0.4
161.04556	0.5
183.01265	0.3
189.05504	0.4
326.11664	1.2
341.13916	3.7
342.14236	0.5
374.92154	0.3
393.07886	0.3
445.29468	0.3
463.17609	21.2
464.17972	2.9
625.20007	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2713
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.2
57.03421	1.0
58.00591	0.9
59.01380	30.1
61.98544	0.7
61.98836	9.5
69.03450	1.5
70.69979	1.4
71.01380	16.6
72.99291	2.7
73.02929	3.7
75.00881	1.2
81.03458	1.0
83.01395	3.4
85.02952	5.0
87.00876	3.9
88.98809	1.7
89.01924	1.1
89.02446	13.0
93.03445	0.9
95.01375	1.2
97.02954	2.4
97.82557	0.7
99.00863	1.4
101.02441	12.4
109.02914	0.9
111.00883	0.8
113.02462	6.5
119.03503	3.4
121.02901	1.0
123.02702	0.7
123.04476	1.0
125.02457	5.2
127.00410	1.0
129.01945	2.0
131.03416	1.0
133.05061	1.0
143.03499	1.5
147.04527	1.6
149.02444	1.3
150.03221	1.9
161.04495	2.1
161.05917	0.9
165.05528	2.9
165.12852	7.1
179.05528	1.2
183.13895	60.1
184.14218	2.6
185.01192	0.7
195.06525	0.8
195.08070	1.8
207.52812	0.8
209.11800	1.2
221.06670	1.2
223.06174	0.7
227.12894	8.5
227.57738	0.7
235.08182	1.5
243.93872	0.8
259.19345	1.0
271.02405	1.3
288.52731	0.8
300.02866	0.8
306.33026	0.7
311.09250	0.7
330.02725	1.7
357.91696	0.8
397.13559	6.3
415.14697	4.6
463.25519	2.1
507.27914	0.8
581.27710	0.9
625.27100	100.0
626.27466	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	626.136
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	2.6
61.98829	96.6
69.41781	5.1
69.42205	2.4
89.02464	0.9
107.73501	0.9
117.60111	0.9
151.00349	1.6
178.99777	1.0
200.99208	0.9
227.03465	22.6
229.05032	1.7
249.52306	1.0
251.36446	1.0
255.02969	39.8
256.03592	4.1
257.04523	1.7
284.03232	77.5
285.03946	19.4
442.16614	1.0
498.84982	1.1
563.14020	100.0
564.14398	11.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1905
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.8
57.03444	2.4
58.53460	1.6
59.01379	100.0
60.01683	2.2
60.99313	4.5
61.98829	46.7
63.76556	1.6
66.45415	1.6
69.03462	3.2
69.43066	15.3
71.01382	41.3
72.99306	7.5
73.02955	34.0
75.00869	37.0
83.01398	13.8
85.02966	10.9
87.00875	7.4
88.98800	25.1
89.02426	9.0
95.01426	2.6
96.95988	3.0
97.02952	3.6
97.06603	2.1
98.20624	3.0
98.28635	1.8
99.00905	6.0
101.02441	30.6
111.00885	3.8
113.02450	14.2
119.03501	5.7
121.02954	5.3
125.02512	3.7
127.00368	3.0
128.46300	2.1
129.01993	2.8
131.03522	3.3
135.02986	2.3
139.00375	2.9
142.99591	2.2
143.03555	4.4
147.04521	8.3
149.04539	4.8
155.03452	2.0
157.01321	2.9
159.03088	2.2
159.04428	2.0
161.04535	7.1
163.04045	2.2
175.07657	5.5
179.05565	2.3
193.08797	2.2
221.06711	4.9
221.15536	2.3
265.14474	11.1
271.02515	2.2
293.13934	10.9
295.09866	2.5
301.03561	2.9
336.66473	1.8
427.19577	5.7
445.24561	5.7
450.97995	2.0
463.08856	2.4
463.25458	4.4
543.79083	2.3
565.31702	5.0
583.32935	6.1
625.13788	3.2
625.38611	32.3
647.12976	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1427
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.7
61.85571	0.4
61.98831	0.9
63.02401	0.8
64.65429	0.6
65.00331	1.2
67.09941	0.5
70.78545	1.1
71.01394	2.0
72.99306	0.8
76.33337	0.5
83.01374	1.2
85.02968	0.7
87.00882	2.2
89.02465	1.4
99.00894	0.6
101.02467	0.8
107.01397	1.9
108.79113	0.6
109.02949	1.2
113.02467	0.6
117.39706	0.5
121.02921	1.0
125.02467	0.7
127.00373	3.5
129.01939	1.3
133.02969	1.2
143.05025	0.5
149.02449	0.8
151.00383	7.6
157.01440	1.1
163.00378	1.0
163.03943	0.5
167.32228	0.5
169.01375	0.5
171.04414	0.7
175.00375	1.4
175.02536	0.9
175.03949	0.7
178.99890	1.3
187.04008	0.9
199.02469	1.2
199.04024	3.6
201.01961	1.0
203.03581	0.7
207.05237	1.0
210.64961	0.6
215.03459	1.8
226.02644	1.0
227.03487	2.8
229.01334	0.6
229.03461	0.8
243.03023	4.4
254.02133	0.8
255.02933	2.2
271.02466	59.6
272.02905	3.7
273.04034	0.6
285.04086	0.5
287.04181	1.4
299.01962	100.0
300.02573	17.0
301.03513	41.1
302.03928	3.1
305.05215	0.9
313.03342	1.0
315.01508	1.1
316.01889	0.6
343.04556	1.4
462.08011	23.6
463.08780	38.9
464.09125	3.9
477.18613	0.9
494.38419	0.6
505.09918	1.1
535.19427	0.9
625.14056	77.3
626.14392	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	625.1411
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79261	0.7
59.01379	3.9
61.98544	0.9
61.98814	4.6
65.00343	0.8
71.01359	1.7
73.02966	1.0
75.00861	0.9
80.40118	0.7
83.01413	0.8
85.02923	1.0
87.00893	1.1
89.02434	1.4
98.19888	2.5
99.00862	1.0
101.02441	0.8
107.01421	1.8
113.02446	1.0
125.02427	2.4
132.04539	1.5
137.02452	1.3
145.72151	0.7
151.00371	12.0
163.00374	1.3
164.01109	1.2
165.02003	0.9
165.04266	1.2
168.37149	0.7
178.99925	1.7
184.98557	0.8
187.03865	1.1
192.00752	0.8
193.04988	0.9
199.03952	1.0
203.03525	2.5
215.03485	3.5
227.03374	1.0
228.75095	1.1
229.65479	1.0
230.81850	0.7
231.02974	1.2
243.02979	4.9
257.13052	1.0
259.02402	6.2
271.02478	8.8
283.10742	1.1
287.01962	51.4
288.02322	3.6
298.01129	0.9
299.01862	2.8
300.02863	2.1
301.03464	1.4
301.11945	1.3
315.01447	97.2
316.02005	12.2
317.03024	14.1
345.10971	5.0
427.09811	0.9
445.07364	1.4
446.42993	0.8
462.07993	34.7
463.08551	14.5
463.14233	1.1
479.08234	3.3
606.92139	0.8
625.14032	100.0
626.14319	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	625.1431
Annotation	Unknow
Peak:m/z	Relative Intensity
56.53606	0.4
59.01379	2.0
60.59569	0.4
61.98840	2.2
65.00326	1.2
71.01385	1.7
71.13683	0.6
71.14021	0.5
72.99329	0.7
73.02974	0.6
83.01385	1.0
84.26302	0.4
84.47633	0.4
85.02921	0.6
86.36391	0.4
87.00900	1.7
89.02450	1.4
93.53910	0.4
98.49934	0.4
99.00907	0.5
101.02464	0.8
107.01414	2.4
109.02990	1.4
111.00864	0.5
113.02436	0.9
117.01904	0.4
119.04999	0.5
121.02937	0.8
125.02451	0.7
127.00385	2.5
129.01933	0.6
133.02985	0.9
135.00993	0.5
137.02487	0.4
150.05632	0.9
151.00372	8.5
157.01416	1.0
159.04526	0.4
161.04828	0.6
163.00389	1.1
163.03911	1.1
163.99699	0.4
169.01443	0.9
171.04489	1.1
175.00354	1.1
175.02510	0.8
175.03960	1.1
175.93005	0.5
178.99828	2.3
187.03967	0.9
193.01413	0.7
195.06596	0.6
199.02501	0.7
199.04042	2.8
201.01938	1.1
203.03517	0.8
207.05350	1.1
213.01830	0.5
215.03494	2.1
226.02695	1.3
227.03444	2.9
229.03340	0.8
243.02968	3.6
254.02292	1.0
255.03006	2.3
271.02472	53.8
272.02957	3.2
287.01654	0.7
299.01965	100.0
300.02594	17.1
301.03522	44.7
302.03757	2.5
305.05063	1.4
313.03461	1.1
315.01569	1.3
315.66870	0.6
316.01947	0.4
317.02829	0.7
319.06812	0.8
343.04678	2.0
345.10699	0.6
462.08044	29.3
463.08792	40.7
464.09149	3.8
477.18646	0.9
505.09952	1.4
508.39789	0.5
535.18976	1.0
625.14069	79.1
626.14557	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	624.3751
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	100.0
69.25610	23.1
69.66626	2.4
88.76080	2.3
93.73689	2.2
191.89612	2.5
217.89452	2.5
439.93781	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	625.141
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	3.1
61.98826	1.3
63.02386	1.3
65.00316	1.4
69.25465	7.3
71.01347	1.9
74.32963	0.7
82.90579	0.7
83.01385	1.9
83.74371	0.8
88.98822	4.2
89.02438	1.8
98.19933	2.2
101.02427	1.1
107.01419	5.2
108.02147	1.3
109.02939	1.0
109.78736	1.1
111.00871	1.5
121.02956	4.2
122.06112	1.0
124.07662	1.6
125.02407	2.0
132.04556	10.9
133.05354	5.5
135.00850	1.2
135.02980	2.4
148.01688	1.0
150.99193	1.5
151.00374	24.2
163.00385	1.6
165.04300	4.2
177.04236	1.3
178.99849	11.0
186.09111	0.9
189.05615	0.9
199.04225	1.2
202.94640	0.8
209.03209	1.7
214.12433	0.8
215.03499	0.9
215.11806	2.5
226.02716	1.1
227.03452	2.9
229.09883	1.3
241.09697	0.9
243.00713	1.2
243.02936	9.2
245.04512	1.4
254.02249	2.2
255.02988	22.0
256.03265	1.1
257.12943	11.7
257.15393	1.7
271.02475	50.7
272.03009	4.6
273.03946	1.6
283.02402	1.2
283.10855	4.5
299.01929	10.7
300.02747	100.0
301.03500	79.6
301.11865	10.0
302.03906	4.5
327.09668	1.7
345.06790	1.7
345.10904	27.0
346.11264	2.1
372.58005	1.0
419.14529	1.7
445.12524	3.5
463.08636	75.4
463.13589	6.6
464.08942	7.4
466.85693	0.9
483.08887	0.8
507.15964	5.6
525.05115	0.8
533.17712	1.0
625.13330	33.9
626.13495	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.3435
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86467	1.5
55.01876	2.0
57.03441	2.9
57.27233	1.5
59.01380	42.1
60.96422	1.4
61.98819	3.8
67.76663	1.5
69.94324	5.9
69.97073	1.5
71.01382	25.7
72.99319	1.6
73.02943	5.2
77.56312	1.4
78.98578	1.4
80.41760	1.3
81.03439	1.7
83.01374	2.1
83.05035	2.2
85.02956	6.0
87.00895	7.2
89.02451	9.8
90.34879	1.4
95.01369	2.2
96.95963	2.1
97.06601	2.1
98.19931	1.5
101.02442	14.3
109.06572	1.9
111.08124	2.5
113.02444	8.5
119.03491	1.9
121.02960	1.8
125.02373	1.8
126.65903	1.4
129.62265	1.3
135.08159	1.7
137.09724	2.0
145.05038	5.4
161.04536	4.5
172.24585	1.3
187.05939	1.5
203.14386	2.2
207.36232	1.7
213.14954	3.4
231.17572	2.1
235.08188	12.9
239.16420	4.2
253.09164	1.7
275.16290	1.6
313.25171	2.1
315.26816	3.6
325.25262	7.5
341.24689	4.5
343.26340	4.8
351.23306	2.1
359.25958	8.8
369.24280	14.5
387.25412	57.0
388.25656	8.1
404.15915	1.6
405.26459	45.2
406.26569	4.4
479.29865	2.9
501.47491	1.6
547.23376	2.6
595.34180	2.5
605.33801	2.7
623.25018	11.0
623.34277	100.0
624.25525	2.3
624.34528	18.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.3435
Annotation	Caribenolide I
Peak:m/z	Relative Intensity
54.56951	1.2
55.01873	1.5
57.03446	2.3
58.00555	1.2
59.01106	1.6
59.01380	20.9
61.98821	1.4
69.03457	2.5
69.25546	10.7
71.01384	21.5
72.99306	1.6
73.02929	5.2
81.03457	1.9
83.01378	4.4
83.05017	3.0
85.02958	7.1
86.00104	1.7
87.00881	9.7
89.02457	10.8
91.03990	1.3
93.03461	1.7
95.01366	2.0
95.05050	1.4
97.02979	1.3
97.06584	1.7
98.20717	1.7
99.00895	2.1
101.02442	14.8
109.06589	3.1
111.08187	2.2
113.02460	10.0
119.03467	2.2
125.02346	1.7
126.99601	1.1
128.84023	1.2
129.02034	1.2
135.08102	2.4
137.09694	3.5
143.03464	1.9
145.05063	5.2
161.04553	5.2
163.48689	1.2
171.37463	1.0
173.02209	1.0
179.05565	2.7
203.14455	2.7
205.16032	1.1
207.17639	1.5
211.13361	1.9
213.14925	3.1
231.17508	1.9
235.08243	12.0
237.15038	1.8
237.18451	1.4
239.16461	4.0
241.18019	1.7
263.16519	1.2
275.16510	2.9
277.18140	1.5
315.26801	3.8
325.25394	6.5
326.25687	1.1
341.24713	5.1
343.26331	10.7
351.23245	3.5
359.25894	14.0
361.27484	2.4
369.24310	19.8
370.24701	3.1
377.26956	2.3
378.27280	1.3
387.25394	67.0
388.25537	6.8
405.26471	52.4
406.26889	6.0
420.38245	1.0
467.73932	1.1
479.30142	2.9
494.21967	1.2
527.47290	1.3
595.34735	2.6
605.33191	2.3
623.34363	100.0
624.34680	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	623.2919
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	3.0
57.03434	1.1
58.00576	2.3
59.01380	64.4
61.98824	4.5
69.81124	5.0
71.01380	38.1
72.99307	6.1
73.02952	7.3
75.00877	1.5
83.01387	5.7
85.02958	12.2
85.21581	1.1
87.00887	4.9
89.01933	1.4
89.02442	22.5
95.01350	3.5
96.95983	1.7
97.02966	0.9
99.00866	3.5
99.04487	2.7
101.02446	22.4
105.00350	1.0
107.01425	1.0
111.00871	1.5
113.02459	15.9
116.92842	1.4
119.03473	7.9
121.02934	1.2
123.04526	1.2
131.03450	1.4
133.02971	10.8
133.05063	1.2
135.02916	1.4
135.04489	3.4
136.07620	1.0
149.02396	2.8
150.03171	3.6
151.03941	1.6
159.03024	1.4
161.02451	26.4
161.04506	2.5
162.02782	1.4
163.03876	1.4
165.04118	1.2
165.05490	4.4
175.03993	1.8
176.07101	1.1
179.03342	1.2
179.07068	1.0
191.07201	0.9
193.04910	1.3
195.06552	3.5
205.04953	1.1
208.03795	1.3
208.07390	1.2
223.06076	5.0
243.02873	1.5
271.02405	3.1
281.17505	2.4
286.01221	1.5
299.02002	6.3
301.03284	1.4
314.00851	1.5
314.04242	6.5
315.04819	2.3
329.02985	7.4
330.03506	2.2
345.06079	2.0
389.16113	5.5
390.16226	1.3
419.12518	1.2
419.17651	1.1
443.22852	100.0
444.23096	8.8
461.16531	2.5
477.10431	7.0
491.11615	3.0
491.47342	1.1
505.26566	2.2
563.21130	2.4
623.18890	12.8
623.29028	66.0
624.19080	2.6
624.29108	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	623.2921
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	2.7
56.53967	1.0
57.03463	2.3
58.00583	3.4
59.01380	76.1
60.40510	1.2
61.98823	6.8
63.17189	1.0
71.01385	45.8
72.99302	4.5
73.02947	10.7
75.00859	2.8
83.01395	6.5
85.02951	16.0
87.00865	5.7
88.98835	1.4
89.02443	29.7
91.05230	0.9
95.01382	5.2
96.96017	3.1
99.00876	3.4
99.04501	2.2
101.02442	29.7
103.00373	1.7
113.02451	16.7
115.00364	1.4
119.03522	7.9
122.06184	1.1
125.02409	1.4
131.03462	2.5
132.02177	2.4
133.02968	34.8
133.05083	1.1
135.02968	1.9
135.04544	16.6
137.02541	1.3
143.03444	2.4
149.02460	2.2
150.03207	3.7
151.04047	1.5
153.05556	2.5
161.02448	100.0
161.04579	2.7
162.02757	4.7
164.04774	1.2
165.04010	1.9
165.05530	3.2
175.04034	2.9
179.03520	2.3
180.04382	1.2
190.06216	1.3
191.06969	1.7
193.01320	1.1
193.05042	2.1
194.05901	1.5
195.06601	2.6
205.08817	1.5
208.03535	1.2
218.75410	1.4
223.06122	4.0
229.69525	1.2
240.38681	1.3
242.01955	1.1
243.02922	3.1
250.54311	1.1
258.11743	1.0
271.02493	3.2
279.08716	1.4
285.03687	1.5
286.01099	1.2
297.10086	1.3
299.02063	6.3
300.02542	2.1
301.03391	1.5
313.03729	1.0
314.04205	6.3
315.05078	2.1
315.10675	2.0
317.00488	1.4
329.02844	6.7
330.03784	2.9
345.05911	1.5
375.96115	1.2
379.40756	1.0
389.16077	11.0
399.15146	2.1
419.13446	1.4
443.22842	95.2
444.23224	9.9
461.16385	5.7
477.10248	4.5
487.14374	1.3
491.11804	2.4
505.26239	2.9
563.21094	3.8
564.21625	1.4
572.19257	1.2
581.22729	1.7
616.58020	1.2
623.19427	43.1
623.29279	59.5
624.19891	6.4
624.29541	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	622.1774
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02972	9.4
59.01364	4.4
63.96524	2.0
65.00934	1.9
69.47307	13.7
70.02975	6.0
71.01360	2.3
72.00911	2.6
91.05515	4.0
113.02432	2.6
121.02956	9.4
147.04536	17.3
164.07162	54.7
206.08215	100.0
207.08498	5.4
221.32323	2.3
249.06128	7.3
261.51678	2.1
303.51413	2.3
355.07016	2.4
371.09708	17.8
430.49100	2.2
436.70111	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2346
Annotation	Unknow
Peak:m/z	Relative Intensity
55.84470	0.5
59.01382	6.7
61.98819	1.6
68.53032	0.5
69.03429	0.6
70.00842	1.2
70.01235	0.8
71.01385	4.1
71.22995	0.5
72.45885	0.4
73.02950	1.0
75.00863	0.9
83.01380	1.3
85.02946	1.1
87.00876	0.5
89.02439	1.8
96.26835	0.4
96.63173	0.5
99.00919	0.5
101.02437	1.8
109.02910	0.8
113.02448	1.6
119.04987	0.7
131.36926	0.6
135.03043	0.7
137.02448	3.5
138.03198	0.6
139.00397	0.6
145.02931	1.6
147.04530	1.9
149.02411	1.3
150.03246	1.7
151.03993	4.0
152.04753	1.0
153.01915	0.9
160.04109	0.5
161.04735	0.5
161.06079	0.9
162.03151	0.8
163.03979	3.8
164.04758	0.7
165.04123	1.0
165.05548	1.6
166.02670	1.1
166.06325	1.2
167.03485	0.8
173.02397	0.8
174.03223	3.4
175.03975	15.7
176.04793	4.5
177.05542	1.9
179.03487	1.2
180.04266	6.9
181.05005	1.1
188.04742	3.0
189.05571	6.7
190.06354	19.9
191.03423	0.5
191.07120	13.0
192.04243	0.9
193.05045	7.0
194.05840	6.1
195.06572	1.5
203.07137	2.1
205.05267	0.7
205.08691	15.8
206.05789	0.7
206.09027	1.2
207.06645	6.3
208.04091	0.5
208.07382	12.4
209.07848	1.3
221.08252	0.5
222.08914	1.7
223.06094	2.5
223.09634	0.9
359.11362	1.1
374.13620	2.2
389.16049	100.0
390.16388	8.4
419.17511	1.2
443.22995	2.7
475.14764	0.8
505.26984	0.7
550.75079	0.6
563.30389	0.6
584.23859	0.5
601.70752	0.7
623.29352	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26059	0.7
56.53033	0.7
56.85303	0.7
59.01383	9.5
61.98816	1.5
71.01376	2.4
72.99311	0.8
73.02946	0.8
75.00860	1.2
83.01402	1.0
85.02940	1.2
89.02436	2.0
97.02934	0.8
101.02444	1.6
113.02436	1.7
119.03497	0.8
135.03004	0.8
137.02463	3.1
139.00369	1.1
141.87740	0.6
145.03004	1.4
147.03445	0.8
147.04559	2.5
151.03981	4.2
152.04729	1.4
153.01953	1.2
161.02458	1.1
163.04033	4.3
164.04800	0.7
165.01909	1.3
173.02464	1.2
174.03238	2.5
175.04010	14.4
176.04805	3.8
177.05614	1.9
179.03476	1.3
180.04266	6.1
188.04807	3.5
189.05580	6.4
189.40482	0.6
190.06367	19.6
191.07147	10.6
192.04338	1.0
193.05049	7.8
194.05873	6.0
203.07162	2.7
205.08679	16.4
206.05693	0.9
207.06670	5.5
208.07387	13.6
209.07741	0.8
222.08994	2.0
271.02475	1.1
299.02057	1.2
300.02707	1.3
311.09177	1.1
314.04318	0.8
315.05161	2.5
327.08911	1.2
339.08640	1.0
365.90295	0.8
369.13443	2.4
374.13635	2.2
389.16061	100.0
390.16455	9.0
419.17337	1.0
420.17743	0.9
505.26596	0.9
509.01715	0.7
606.65369	0.8
623.16565	2.0
623.28412	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.3279
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30101	1.2
55.01873	1.6
57.03439	3.9
58.00574	4.0
59.01379	100.0
61.98833	10.6
68.48140	1.2
71.01382	61.1
71.55895	2.1
72.99312	12.8
73.02945	2.0
83.01368	4.7
83.05031	6.8
84.06022	1.1
85.02949	13.8
87.00873	7.9
88.98796	2.3
89.02443	70.3
93.03454	1.4
95.01378	3.7
96.96031	1.7
97.06599	1.5
99.00893	1.7
99.04514	39.8
101.01792	2.0
101.02441	33.1
103.53678	1.4
105.01920	2.9
109.06624	1.2
111.00858	1.5
113.02451	21.3
116.92886	1.7
119.03502	29.4
121.06561	1.5
123.08158	3.0
131.03456	1.7
134.03735	2.3
135.08176	12.5
137.09702	7.6
143.03491	4.5
147.04510	4.8
149.04568	2.8
154.45132	1.4
161.04538	5.4
163.04028	1.5
163.11293	15.5
173.13290	1.6
179.05611	13.8
186.30286	1.6
189.12805	4.2
191.14398	8.5
195.08168	1.9
205.12308	6.4
215.14351	2.1
221.09682	5.2
223.11235	3.5
233.15393	2.8
235.13387	74.4
236.13713	3.7
238.59612	1.3
261.14993	2.7
268.72736	1.5
277.14420	22.4
285.03516	1.3
295.09634	5.2
297.10309	1.9
311.09195	3.6
361.25397	1.7
379.26425	4.6
413.17883	1.5
414.19028	10.8
415.19757	5.3
423.25449	9.7
441.26456	51.1
442.26810	6.7
457.20667	3.8
459.14465	4.2
501.15405	4.4
603.31512	1.8
621.18152	2.8
621.32782	53.7
622.33185	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	621.3283
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.3
57.03432	3.8
57.69379	1.1
58.00585	4.8
59.01381	100.0
60.99290	1.2
61.98833	13.8
69.58202	1.0
69.93498	1.0
71.01385	61.5
71.55853	1.1
72.01701	1.0
72.99309	20.5
73.02940	4.6
75.00858	2.9
77.06857	1.0
81.03448	1.1
83.01379	5.2
83.05038	7.3
85.02959	13.8
87.00880	5.7
88.06398	1.0
88.98807	7.8
89.02446	73.7
93.03434	3.1
95.01362	4.4
96.96018	1.4
97.06596	1.9
99.00887	1.5
99.04523	35.4
101.02441	30.1
105.01984	1.3
107.05018	1.1
108.58433	1.2
111.00845	1.2
113.02454	23.4
115.00397	1.9
115.41758	0.9
116.92850	1.2
119.02653	1.8
119.03497	28.9
119.04903	6.0
121.06571	2.2
123.08160	2.7
125.02394	2.3
131.03500	3.5
135.08186	5.2
135.11949	0.9
137.09732	18.3
143.03481	5.7
143.04883	1.3
147.04536	1.7
149.04588	2.2
161.04576	6.7
163.04065	7.2
163.10071	1.4
163.11301	18.1
164.11609	1.3
173.13321	2.1
179.05585	13.1
189.12852	6.2
191.14412	11.3
195.08092	3.3
205.12346	9.5
207.14020	2.4
217.12199	3.2
218.13094	1.5
221.09816	1.7
233.15366	2.5
235.13388	70.9
236.13753	3.5
243.46684	1.2
251.10609	1.2
261.15009	1.9
277.14447	12.5
295.09711	4.5
299.14334	8.8
300.14722	1.4
311.09106	1.8
313.03549	2.1
327.17484	1.6
341.15515	1.8
343.13391	4.7
353.15421	1.7
361.25266	2.5
371.16504	1.6
379.26471	2.9
385.14404	3.8
415.19727	1.5
423.25400	9.9
441.13705	2.6
441.26514	18.9
442.26968	1.6
459.14520	3.8
547.19403	3.7
561.29645	1.8
577.32397	2.3
621.18793	1.5
621.33246	18.4
622.32825	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.3126
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61681	0.5
54.78204	0.5
55.01875	3.7
55.86599	0.5
56.37987	0.5
56.93281	0.6
57.03456	3.4
58.00592	2.6
58.99611	0.5
59.01381	100.0
59.67095	0.5
60.01714	0.6
61.98835	1.6
67.33188	0.5
68.99825	0.7
69.03463	4.1
69.61270	1.5
69.61701	1.6
71.01382	65.6
72.01722	0.7
72.99306	4.8
73.02950	14.4
74.96733	0.5
75.00883	1.2
76.37141	0.5
78.09763	0.5
83.01385	8.6
84.02168	0.5
85.02952	24.8
86.00089	0.9
87.00885	6.1
87.04522	2.0
89.02446	30.1
91.00314	0.5
92.14581	0.6
95.01378	4.7
97.02959	2.3
99.00883	6.3
101.02448	32.9
102.02792	0.7
105.01961	1.1
111.00897	1.8
113.02454	32.0
113.10596	0.5
114.02802	1.1
119.03508	11.0
124.01669	1.7
125.02435	5.1
129.01952	1.6
131.03510	1.0
132.55948	0.6
137.02444	0.7
141.01968	0.7
143.03503	5.1
149.04535	1.6
151.00351	0.7
154.64015	0.5
159.03011	2.7
161.04552	13.3
166.02713	2.4
169.12378	0.7
169.52448	0.6
179.05557	2.6
181.05064	2.7
185.00922	2.3
185.34091	0.5
211.66226	0.6
214.94699	0.5
231.54224	0.5
255.02980	2.0
255.19644	1.2
256.03348	1.7
257.03525	0.9
283.02475	4.1
284.02982	4.0
285.03079	3.0
286.04300	0.9
287.04459	1.1
310.78018	0.6
311.09244	1.4
356.82532	0.6
399.23871	14.6
400.24258	1.0
417.15942	4.3
417.24915	14.4
418.25204	1.0
431.09708	0.7
432.09787	1.6
433.10477	1.3
441.25153	0.6
561.29144	85.8
562.29492	10.1
579.30188	71.5
580.30536	9.1
621.17426	4.1
621.31439	9.2
622.31616	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.3125
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	3.6
57.03445	3.9
58.00594	2.1
59.01381	100.0
60.01728	0.9
61.56730	0.5
61.98831	2.0
68.99825	1.1
69.03459	7.1
71.01382	69.4
72.01730	1.2
72.99313	5.7
73.02950	14.1
75.00877	1.2
81.03442	1.0
83.01385	6.7
85.02951	27.1
86.00121	1.0
87.00883	8.6
87.04551	1.5
88.98833	0.7
89.02446	35.3
90.02790	0.7
95.01392	5.5
97.02946	4.3
99.00874	6.7
99.04530	0.6
101.02445	35.5
101.06079	1.0
102.02785	0.7
105.01937	0.8
111.00896	1.6
112.01717	0.8
113.02450	35.1
119.03502	13.0
119.05025	1.2
124.01682	1.6
125.02448	6.7
129.01964	1.5
131.03502	1.3
135.03038	1.0
135.98347	1.0
136.99149	0.7
141.01981	0.9
143.03496	7.0
143.07101	0.5
147.04549	0.7
149.04541	0.8
159.03015	2.3
161.04567	16.9
179.05638	5.1
180.36446	0.6
181.05067	0.8
185.00883	3.8
193.05014	0.8
195.08084	0.7
251.10793	0.6
256.03009	0.6
284.02957	0.5
285.03809	0.8
286.04523	0.9
295.09753	4.0
311.09271	1.3
399.23904	10.4
402.13449	0.5
417.16190	0.8
417.24979	14.5
418.25211	1.2
433.10843	1.0
435.25977	0.7
445.54739	0.5
493.30515	0.8
513.27075	0.6
525.26978	1.3
561.29138	69.7
562.29590	6.6
579.30194	60.8
580.30646	6.4
611.86749	0.6
621.16815	0.6
621.22314	0.7
621.31219	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	621.2763
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
69.03449	5.8
69.91725	6.2
71.01383	24.7
71.96243	1.5
72.99287	3.9
73.02948	11.6
79.22057	1.7
83.01392	3.1
84.10049	1.7
85.02959	14.9
87.00868	3.5
87.25539	1.5
89.02455	16.9
92.11630	2.1
95.01380	3.1
99.00883	4.4
101.02444	13.6
113.02468	11.2
119.03517	6.3
119.04993	1.7
143.03456	2.0
151.00328	2.4
161.04558	7.2
165.04015	3.1
166.02733	3.3
181.05054	7.3
185.00912	3.1
221.09737	3.7
222.05879	1.6
223.11281	1.9
278.47815	1.7
285.04144	2.3
329.03091	1.8
398.48895	1.7
417.15558	11.9
435.22128	2.2
441.21359	16.8
442.21448	2.2
467.87869	2.0
473.14508	10.5
517.26526	37.7
518.27045	4.7
535.27747	17.8
577.28448	4.4
621.14655	2.4
621.28101	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	621.2764
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.8
57.03440	1.7
59.01382	100.0
60.01717	1.1
61.98822	2.3
69.03441	1.9
70.35610	1.4
71.01381	19.1
72.99305	1.4
73.02947	6.1
75.00877	0.8
83.01373	3.0
85.02953	12.0
87.00864	3.3
88.98779	1.0
89.02449	5.1
95.01397	3.1
96.96048	0.8
97.02998	0.8
99.00877	2.3
101.02451	13.1
105.01945	2.7
107.50621	0.7
109.88453	0.9
111.00882	1.4
112.01659	0.9
113.02455	8.7
119.03502	1.9
125.02425	1.1
129.01997	0.8
135.02972	1.9
143.03516	1.6
145.43645	0.8
159.02979	2.0
161.04581	6.2
163.98212	0.8
165.04050	7.3
166.02711	1.2
172.25281	0.8
181.05070	1.3
185.00911	1.1
300.54236	0.8
373.22305	1.6
407.71338	1.0
417.15485	2.6
435.22406	1.0
473.14172	1.3
517.26538	36.9
518.26782	4.0
535.20044	1.5
535.27618	12.7
536.28052	1.0
567.34143	0.8
577.28735	1.8
584.59143	0.9
621.24878	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2759
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	2.3
59.01377	100.0
63.77622	2.2
69.03444	10.1
69.87747	2.2
71.01381	21.9
72.99308	5.5
73.02937	7.9
82.23159	2.2
83.01377	3.9
85.02944	10.3
87.00861	8.9
89.02447	9.3
95.01387	4.1
97.02978	3.7
98.19780	4.6
99.00878	5.5
100.24829	2.4
101.02455	14.7
105.01908	4.7
113.02444	8.7
116.96387	2.3
119.05050	13.9
135.02980	6.4
143.03464	2.8
147.04488	3.2
161.04506	7.1
163.03954	6.8
165.04015	16.3
166.02689	6.9
181.05040	10.6
183.66328	2.3
185.00937	4.9
192.49011	2.0
193.53479	2.2
208.47392	2.4
221.09805	3.0
229.88475	2.7
251.95055	2.2
311.09363	4.0
417.15634	12.7
435.22128	6.2
473.14517	10.4
504.63779	2.3
517.26459	25.7
518.26648	3.7
535.27856	12.7
621.24304	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	621.2716
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98817	1.2
69.57307	0.5
70.11681	0.5
71.23443	0.6
71.23772	0.9
90.85256	0.4
169.01419	0.6
199.15437	0.5
417.17068	0.6
445.16675	2.3
446.17459	2.6
459.22324	3.2
460.18890	10.2
461.19785	27.4
462.20258	3.9
474.20715	1.5
475.21381	4.6
476.51044	0.6
519.20337	14.8
520.20862	3.3
522.08405	0.7
533.22284	1.6
535.23578	1.2
621.27148	100.0
622.27423	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	621.2761
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43049	1.8
57.03441	2.2
58.00592	2.9
59.01380	100.0
60.01719	1.8
61.98845	8.9
71.01381	49.5
71.05009	3.1
71.55753	2.8
72.31068	2.0
72.99313	8.5
73.02938	10.7
83.01381	4.5
85.02957	17.5
87.00871	7.5
88.98802	4.7
89.02451	33.4
95.01350	3.7
96.96004	3.5
98.50701	2.1
99.00860	3.9
99.04500	3.0
101.02448	28.2
105.01849	2.1
111.00909	4.3
113.02444	20.4
119.03490	11.5
131.03448	2.5
131.45741	1.8
134.03769	2.0
135.02998	4.3
135.98349	7.2
143.03513	3.9
149.04550	2.5
157.01439	1.9
161.04543	8.0
161.13364	2.5
179.05592	3.1
193.05023	4.5
205.12291	3.3
209.06680	3.4
211.07617	1.7
217.16098	2.1
236.86725	2.2
255.02765	1.9
261.14871	4.4
299.02060	2.9
441.21286	72.7
442.21683	9.0
498.66956	1.9
503.24472	2.3
517.26385	27.8
518.26782	4.3
535.27399	18.8
561.28784	7.6
579.29865	4.5
621.27618	41.6
622.27753	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	621.219
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.9
57.03439	2.0
59.01378	72.1
61.98837	2.8
61.99371	1.7
69.03460	4.6
69.53052	10.0
71.01384	44.2
72.99305	7.3
73.02956	12.7
83.01383	5.9
84.02132	2.0
85.02946	15.3
87.00883	3.7
89.02446	20.4
95.01382	3.3
97.02968	3.0
98.19961	4.0
99.00867	5.0
101.02432	26.3
105.01915	3.7
109.02987	2.0
113.02457	19.1
119.03522	9.4
123.00858	3.9
125.02444	3.9
137.02441	11.5
143.03473	3.5
151.00360	18.9
151.03978	2.2
161.04556	6.9
166.01303	3.0
166.02710	60.3
166.04070	3.9
167.03375	4.2
177.01936	2.3
179.05624	3.3
181.05063	79.4
182.05336	3.3
184.03688	2.3
185.00938	3.8
192.04259	2.6
283.02399	5.2
284.02823	5.4
285.03162	3.9
311.09250	2.5
387.10788	14.5
388.11432	1.9
399.24030	4.9
402.13156	7.3
417.15533	100.0
417.24835	6.6
418.15985	9.7
557.11853	2.1
561.29095	57.1
562.29364	5.2
579.30127	44.2
580.30225	5.1
621.16644	4.7
621.31488	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	621.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03468	1.4
59.01380	28.6
61.98833	16.9
69.03433	2.9
71.01384	23.1
71.55595	2.0
72.99311	75.0
73.02946	4.3
75.00880	2.4
78.95885	1.2
83.01392	4.6
85.02934	5.7
87.00877	16.5
88.98782	1.6
89.02443	10.1
91.05540	1.5
93.03456	15.8
95.01382	1.4
96.96014	18.9
98.00105	5.8
99.00880	5.0
99.04502	1.3
101.02461	7.2
105.01926	7.1
111.00907	1.4
113.02444	5.5
115.00394	2.9
117.03496	1.8
119.03529	2.2
119.05032	24.9
120.05360	1.7
121.02938	2.5
125.02450	3.3
127.29932	1.1
129.01929	2.5
130.04257	3.2
131.05048	1.5
133.06577	2.9
135.02988	4.8
139.00417	1.4
142.99858	11.8
143.03500	1.3
143.05022	5.3
145.06596	60.0
146.06895	2.9
147.04539	5.1
151.51547	1.4
158.03751	1.4
159.04521	4.8
161.04556	1.9
163.04013	5.8
170.91629	1.2
189.05582	80.0
190.05960	3.0
195.08162	86.8
196.08467	4.0
206.07520	1.3
207.08124	3.3
219.08176	1.3
221.09731	10.0
223.11272	4.8
231.01352	1.9
232.08923	1.5
235.11176	3.6
237.09135	4.2
249.09171	8.1
250.09882	5.3
267.10339	2.7
295.09482	2.4
299.14432	5.7
311.09232	15.6
312.02722	2.1
312.09311	1.6
340.14935	1.3
341.15439	7.7
343.13220	3.2
353.15259	1.7
385.14459	30.4
386.14746	2.9
399.10846	3.2
459.14304	1.8
547.19727	100.0
548.20227	16.6
561.28906	6.3
577.32471	7.1
579.30145	4.5
605.26190	1.7
621.33923	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	621.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	2.3
57.03455	1.5
59.01383	18.1
61.98835	12.4
71.01381	10.1
72.99309	65.4
73.02940	2.8
83.01389	1.7
85.02945	5.6
87.00873	9.4
88.98797	3.4
89.02446	5.2
93.03456	9.9
95.05123	1.3
96.95992	1.7
99.00883	1.7
101.02438	4.1
105.01939	4.9
111.00889	1.4
113.02463	2.3
114.02005	1.5
115.00313	1.7
115.05491	1.2
117.03473	3.1
119.03626	1.6
119.05023	42.5
121.02956	6.2
125.02499	1.5
129.01947	2.0
130.04242	4.0
131.05017	1.5
133.06616	1.7
135.03035	1.6
142.99864	3.1
143.05002	5.9
145.06595	65.1
146.06947	2.5
147.04492	2.7
149.04474	1.3
158.03687	2.0
159.04518	5.6
161.00960	2.4
163.03970	5.1
182.07372	1.5
187.90802	1.3
189.05566	72.3
190.05907	2.5
195.08151	79.6
196.08510	4.2
197.09735	2.6
204.06355	1.4
214.48465	1.2
217.42130	1.2
221.09753	7.2
223.11249	3.2
226.38441	1.4
235.11374	7.1
249.09171	5.9
250.09944	5.6
295.09793	3.4
299.14334	7.6
302.06766	1.4
311.09335	7.5
312.09503	1.3
323.14322	1.8
327.17462	7.7
341.15442	3.0
353.15411	3.9
385.14456	34.1
386.14856	1.9
415.15164	1.4
459.14725	2.7
492.96399	1.5
547.19714	100.0
548.20099	12.8
577.32227	5.4
599.14856	1.5
621.19843	22.0
621.29767	2.6
621.34595	4.1
622.19995	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	619.261
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	1.2
57.59442	1.0
58.00600	3.7
59.01379	100.0
61.98835	1.2
69.03454	3.0
69.91522	1.2
71.01382	50.4
71.55065	2.0
72.99300	5.9
73.02947	23.4
75.95595	1.1
77.47662	1.2
83.01384	6.8
85.02953	9.0
87.00889	4.4
89.02444	55.8
95.01398	3.1
96.96007	2.3
97.02975	1.3
99.00901	2.1
101.02440	36.6
101.03104	2.0
113.02456	25.0
119.03499	21.6
119.04966	1.6
119.13580	1.3
125.02444	1.2
131.03511	5.8
143.03532	5.2
143.24802	1.1
149.04539	5.5
161.04576	11.3
163.02570	2.0
163.03958	1.5
164.02289	1.0
165.04042	2.0
179.05632	14.1
185.00897	1.2
227.20140	1.1
327.08679	2.1
424.63895	1.3
559.27808	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	619.2607
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05623	1.5
57.28677	1.5
59.01380	100.0
61.98809	1.7
63.21864	1.5
69.03452	3.5
70.71665	1.7
71.01382	39.5
71.55284	2.8
72.99296	4.4
73.02938	15.7
83.01385	4.3
85.02956	11.2
87.00878	5.2
89.02441	36.9
95.01363	3.1
99.00871	2.6
101.02441	28.5
105.01938	2.0
105.12425	1.8
113.02448	21.9
119.03522	13.2
122.01714	1.5
131.03471	3.5
135.04521	2.2
143.03468	5.3
149.04530	5.6
161.04608	8.6
165.04045	5.7
174.03523	1.6
178.03859	1.6
179.03496	1.7
179.05614	8.0
185.00896	2.7
255.02907	1.8
319.77847	1.7
385.13052	2.1
415.10437	3.3
471.57056	1.8
515.24792	12.1
526.35529	1.9
533.25854	6.5
559.27509	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	621.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27773	0.8
54.99995	0.6
55.01870	0.8
57.03436	1.0
58.00581	0.9
59.01381	11.9
60.99298	1.4
61.31419	0.7
61.89010	0.6
61.98815	2.7
64.58784	0.7
69.03446	3.2
69.42928	0.6
69.43472	3.8
69.43881	1.2
71.01379	10.5
72.99300	2.5
73.02932	2.5
83.01387	2.4
85.02953	2.7
87.00883	2.0
88.98808	5.5
89.02448	7.4
89.93918	0.7
93.03461	18.2
95.01402	0.7
99.00880	2.2
99.04518	0.9
101.02435	3.7
105.01937	1.0
109.02946	0.8
111.00842	0.9
113.02425	3.4
115.00396	3.6
117.03447	3.9
119.03467	2.9
119.05031	4.6
121.02935	2.9
129.01892	0.7
130.04234	0.8
131.05040	0.8
134.03737	4.3
137.02444	0.8
143.04974	1.7
145.06581	6.3
147.04512	1.8
157.01418	4.3
161.04424	0.7
162.03223	2.8
163.03996	2.3
179.05534	1.3
193.06560	1.6
195.08141	34.2
196.08525	2.3
206.07352	1.0
206.13350	0.8
207.08147	6.0
207.13890	1.2
209.09727	1.1
210.06865	1.0
211.07550	1.1
219.08211	2.5
221.09712	32.8
222.10263	4.0
223.11269	64.6
224.11565	3.1
233.11879	1.6
234.06740	1.0
235.11252	0.8
237.09186	4.6
248.08389	0.9
249.09186	6.6
265.12280	1.7
267.10168	3.3
267.12100	2.3
286.04013	0.8
291.10239	0.9
293.08182	4.0
295.09799	2.0
301.18182	1.3
309.11288	3.1
311.09155	6.3
327.17715	0.9
329.11655	1.1
353.10635	1.1
413.18259	1.3
441.13348	1.9
441.26309	3.6
459.14456	100.0
460.14835	10.8
501.15543	3.0
522.28308	0.9
561.17853	2.0
586.73663	0.8
621.21283	4.3
621.31604	5.3
622.19385	0.8
622.33472	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.209
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38652	1.6
52.87277	1.6
55.01872	3.7
57.03445	3.0
58.00591	2.4
59.01380	49.5
71.01382	83.8
71.05012	3.7
71.53169	1.7
72.99310	2.4
73.02944	15.1
83.01390	7.5
85.02950	29.3
87.00869	6.4
87.99902	1.7
89.02444	43.9
95.01390	7.1
97.46702	1.6
99.00877	7.5
101.02440	48.0
103.19530	1.8
113.01712	3.0
113.02448	34.6
113.15273	1.7
115.04012	35.3
119.03506	15.4
125.19118	1.6
131.03523	3.1
143.03467	4.6
159.02950	5.5
161.04547	35.9
179.05635	21.7
180.49965	1.6
189.26570	1.9
233.10306	15.2
277.09277	100.0
278.09656	5.0
341.10883	86.9
342.11142	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	619.256
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
70.86236	1.8
70.86569	1.7
99.21564	0.8
104.65647	0.9
114.47176	1.0
128.28783	0.9
132.73631	1.1
150.09323	0.8
153.20448	0.8
186.40897	1.0
200.41022	0.8
389.15448	1.2
401.13959	2.5
415.15305	4.1
416.16388	15.7
417.16672	2.4
429.16977	2.0
430.17755	3.2
431.18576	2.6
444.15732	2.1
458.17368	1.1
459.18246	100.0
460.18591	16.7
473.19757	14.4
474.20648	6.3
485.15915	1.6
501.19409	2.1
503.17508	4.0
504.18796	1.1
508.82031	1.0
509.43732	1.0
517.19141	1.8
518.19580	46.9
519.19647	8.3
532.21167	8.5
533.21918	99.5
534.22247	14.6
560.18750	1.2
587.22998	7.5
619.25586	77.2
620.25995	12.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2561
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47496	1.2
70.19940	4.4
70.20290	1.4
81.42552	1.2
89.66678	1.3
135.93666	1.4
401.13892	2.2
414.14551	1.5
415.15747	4.3
416.16388	12.9
429.17133	1.5
430.17874	2.6
431.18988	2.5
444.15973	1.5
458.17618	1.8
459.18234	100.0
460.18387	11.8
473.19766	17.3
474.20514	5.4
475.21338	1.5
503.17090	2.8
504.17493	1.9
517.18628	3.7
518.19537	52.4
519.20044	6.2
532.21149	8.3
533.21912	93.4
534.22089	10.8
587.22900	7.5
619.25592	91.3
620.26013	12.5
632.08081	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61245	0.8
59.01118	1.0
59.01381	12.5
61.98825	5.0
63.34804	0.9
69.43705	3.4
69.44124	2.5
71.01385	6.6
72.99309	100.0
73.02941	2.7
75.00884	2.2
75.17608	0.9
83.01387	1.5
85.02933	1.8
85.13773	0.9
87.00876	25.9
88.98845	1.3
89.02435	2.7
96.95999	1.8
96.99303	2.6
97.02921	1.1
99.00869	3.1
101.02445	2.9
105.01936	62.3
113.02422	2.1
115.00385	1.9
115.05523	3.2
117.03442	0.9
119.05000	2.8
121.03030	0.9
127.00396	1.7
129.01939	3.9
135.02966	1.0
139.00404	1.2
141.96646	1.0
142.99860	7.3
147.04535	16.7
148.04858	1.1
161.00908	14.1
161.04541	0.9
163.03961	1.4
163.30768	0.9
164.47174	1.0
165.34334	0.9
179.01923	3.3
179.05530	1.1
205.10213	2.1
207.11807	2.1
211.07541	1.1
225.48364	1.0
231.01460	2.7
233.02956	2.8
233.09698	8.1
247.04599	1.9
249.02463	4.1
251.04071	1.2
251.10727	3.4
255.02936	3.9
277.08658	3.4
283.02429	9.9
285.04034	9.2
291.03568	11.1
293.47394	0.8
295.09738	50.9
296.09933	4.6
297.10382	1.8
305.43225	0.9
309.04611	21.1
311.09207	3.1
317.07993	1.8
371.24591	1.0
383.11478	5.9
384.11676	1.1
430.08960	2.8
431.09982	6.1
527.11823	2.4
575.30811	4.0
587.13971	3.9
619.16803	5.0
619.32343	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	619.1228
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	19.9
61.98821	8.9
62.34966	2.0
68.99811	3.3
71.01377	9.8
72.99290	10.4
73.02966	2.8
83.01388	3.2
84.52640	2.0
85.02942	5.6
85.05200	2.0
85.24910	2.2
87.00883	21.6
89.02450	2.8
96.99325	2.5
99.00874	4.9
101.02483	2.4
111.00887	3.1
113.02393	5.0
115.05482	2.5
119.05018	2.8
127.00367	5.1
129.01930	5.9
139.00327	2.3
146.97414	2.1
147.04536	44.0
157.01466	6.2
175.02477	2.7
199.02406	3.5
233.09698	4.5
251.10698	7.3
255.02995	10.8
277.08679	2.5
283.02451	22.7
285.04013	26.6
287.04041	2.3
295.09756	100.0
296.10080	7.9
311.09378	2.6
317.08224	3.0
383.22144	4.0
401.23401	3.4
430.08890	7.7
431.09683	12.4
439.24490	3.5
619.16766	9.4
619.31512	6.5
645.41498	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	619.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17642	0.3
57.24445	0.3
59.01381	0.4
63.02399	0.7
65.00333	0.7
69.56084	1.7
69.56498	0.5
69.77914	0.3
83.01392	0.7
86.30708	0.3
93.03490	1.1
107.01391	0.9
117.03478	1.0
129.52812	0.3
135.00900	0.5
137.02394	0.5
143.05034	0.7
145.02968	0.3
151.00372	2.0
154.04236	1.1
155.04996	0.6
157.06566	0.4
159.04504	1.4
161.02492	0.4
163.00352	0.5
165.01909	0.9
167.05035	0.6
169.06586	3.0
171.04488	0.7
173.02348	0.9
183.04523	3.3
185.02484	0.5
185.06094	2.5
187.03995	1.7
189.05540	2.2
199.03966	0.4
201.05502	0.4
211.03992	3.1
213.05533	3.0
214.02679	1.4
215.03490	0.9
227.03484	7.0
228.03679	0.5
229.05003	2.3
239.03523	1.2
241.05022	1.1
243.02951	1.4
255.02974	44.7
256.03427	3.6
257.04541	3.8
283.02460	84.3
284.03003	10.0
285.04028	100.0
286.04379	6.7
288.35205	0.4
339.52460	0.4
430.09003	18.5
431.09784	48.2
432.10007	4.3
473.10770	3.1
619.16626	33.0
620.16730	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	617.1509
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	2.3
59.01362	6.0
61.98824	1.7
69.50597	6.7
71.01003	2.2
71.01382	33.6
72.99310	14.2
73.02966	1.5
83.01387	17.9
83.98851	1.2
87.00877	68.1
93.03444	3.2
96.95928	1.8
97.02963	1.3
99.00880	16.1
101.02415	1.5
105.01933	16.2
113.02453	1.6
115.00348	4.0
119.05022	41.7
120.05315	1.8
121.02941	3.0
127.00381	14.7
129.01921	1.6
135.02927	1.8
142.99870	12.9
147.04497	11.8
154.99849	1.8
163.04016	11.5
185.80373	1.4
211.94725	1.6
221.09695	8.1
223.11287	6.7
235.06070	5.4
237.09192	2.6
249.09164	3.1
267.10272	10.4
268.10449	1.5
273.02478	4.2
293.08264	1.6
305.05295	2.6
311.09238	100.0
312.09460	7.4
355.11896	2.6
395.20764	2.0
399.05603	2.6
399.10825	47.8
400.11206	3.7
401.99500	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.2089
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	2.3
59.01380	33.0
61.98844	1.8
69.03451	4.0
69.61395	11.3
71.01382	37.7
72.99311	61.5
73.02940	3.4
75.00875	2.6
83.01388	10.8
84.27539	1.9
85.02961	5.3
87.00349	2.9
87.00879	51.7
89.02446	22.1
92.89661	1.6
93.03464	4.3
94.20893	1.8
99.00903	9.0
99.04449	1.6
101.02455	11.6
105.01940	100.0
107.05016	1.8
111.00888	2.5
113.02445	7.5
115.00376	3.3
119.03510	20.3
119.05003	27.5
127.00373	6.7
129.60706	1.9
131.05060	2.5
135.02940	3.2
139.07661	2.5
142.99841	5.2
143.03526	2.6
143.05008	5.6
143.39894	2.1
147.04489	11.3
157.01393	2.7
161.00896	8.8
161.04527	6.4
161.13356	6.4
163.04027	15.7
179.05626	5.9
185.00909	2.9
187.11298	4.2
195.08183	4.3
200.44345	1.8
205.12294	16.2
221.09668	4.5
223.11279	4.3
231.26274	2.2
237.09373	2.8
249.09132	4.5
249.11302	17.0
267.10239	8.4
280.15625	1.8
291.03653	4.7
293.08173	2.6
295.09586	2.6
311.09262	90.0
312.09454	10.5
323.06064	9.6
333.13364	3.3
351.14517	2.0
399.10925	14.7
413.21829	2.7
429.17572	13.0
573.21753	8.5
614.07422	2.2
617.26428	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	617.0042
Annotation	Unknow
Peak:m/z	Relative Intensity
55.84959	3.7
59.01380	100.0
61.98824	15.9
72.61980	3.7
95.20424	4.2
111.04848	3.9
118.77759	4.7
132.98145	7.0
159.01494	65.2
174.99249	26.3
201.02527	14.8
217.00302	75.8
218.98306	4.5
232.98186	4.6
242.02243	4.2
272.85419	19.2
274.85080	18.7
288.83191	39.7
290.82861	11.4
292.86121	11.5
301.02795	25.9
302.02658	4.7
303.81793	6.9
305.81815	4.7
314.86417	14.0
316.86349	28.6
317.00436	69.7
318.00687	4.1
330.84238	44.5
332.52017	3.9
332.84222	19.6
332.98196	20.3
334.87180	6.3
359.01514	6.5
374.99286	39.4
388.83301	7.4
390.82898	7.6
450.78165	6.9
458.87634	6.3
459.01382	6.0
472.85577	29.1
473.85638	8.6
474.85172	63.7
474.99393	22.4
475.85342	4.4
556.98376	40.9
557.98254	7.6
611.94849	4.4
616.86957	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	617.1512
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	2.5
61.98820	0.9
69.03423	0.5
69.47935	0.9
69.48349	2.8
71.01382	3.7
72.99308	33.5
75.00867	1.5
83.01388	1.5
87.00877	20.6
93.03446	3.6
96.99311	1.5
98.19931	0.9
99.00885	1.7
101.02435	0.8
105.01933	100.0
106.02268	1.7
111.00845	0.7
113.02480	0.5
115.00344	0.5
119.05029	11.4
127.00404	0.9
129.01903	0.7
129.83537	0.5
131.05040	0.5
142.99861	0.6
143.05031	1.5
147.04523	5.7
161.00934	7.2
163.04005	8.8
179.01907	1.1
195.08173	1.5
195.62473	0.5
221.09717	1.6
223.11310	1.7
249.09204	3.4
249.11395	0.6
265.60837	0.5
267.10266	2.5
273.02496	0.7
285.11063	0.9
291.03564	7.8
293.07916	1.1
295.09824	1.4
311.09222	32.4
312.09592	3.5
323.06131	4.4
399.10721	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	617.1511
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	1.6
59.01371	4.0
68.99836	1.2
69.47962	1.4
69.48364	6.6
71.01380	14.4
72.99307	27.4
73.02924	1.0
76.38974	0.9
83.01386	6.2
85.02983	1.2
87.00877	51.6
91.80502	0.9
92.38257	0.9
93.03450	8.0
96.99306	1.6
98.20643	2.3
99.00890	7.3
105.01935	62.4
113.02424	1.0
115.00359	2.4
119.05034	13.4
127.00377	6.5
131.05037	1.3
133.02887	0.9
141.01955	1.3
142.99889	5.7
143.05006	3.1
144.19896	0.9
145.06590	1.6
147.04533	6.0
161.00912	4.1
163.04002	8.0
185.00922	1.1
195.08112	3.2
221.09709	5.3
223.11253	3.9
240.37747	0.9
246.31357	0.9
249.09128	7.8
267.10242	13.1
268.10614	1.2
273.02576	3.0
291.03470	3.4
293.08261	2.7
311.09229	100.0
312.09573	8.2
323.06259	1.8
399.10803	27.4
400.11185	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	617.1513
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.7
59.01389	4.0
59.25593	0.5
61.98816	1.5
65.47765	0.5
71.01382	8.0
71.32096	1.0
72.99313	8.2
83.01382	2.5
85.02949	0.9
87.00879	38.3
89.02419	0.8
93.03465	15.5
96.99327	4.8
99.00874	2.6
101.02444	0.8
103.24961	0.6
105.01941	4.9
111.00935	0.7
113.02416	1.1
115.05511	2.2
117.03467	1.2
119.05039	8.6
123.04551	0.6
124.31039	0.6
127.00353	2.5
130.04239	0.7
131.05008	1.2
133.02972	1.4
135.02980	0.8
139.00415	1.1
142.99840	2.5
143.05045	7.5
145.02948	1.1
147.04530	3.6
149.25784	0.6
157.01350	0.8
161.00914	0.7
163.03996	6.2
165.62320	0.7
175.45660	0.6
185.93843	0.6
190.48752	0.6
195.08214	3.5
205.10255	0.6
219.08131	2.2
221.09833	3.6
221.11607	0.6
223.11256	1.3
232.23030	0.7
249.09175	16.7
250.09586	1.3
251.10799	0.8
267.10233	0.8
273.02515	3.1
277.08713	0.6
285.11288	2.1
293.08200	5.7
295.09744	1.7
305.05139	0.8
311.09250	100.0
312.09622	7.6
335.51505	0.6
394.49298	0.7
399.10770	12.0
400.11050	1.1
400.42590	0.6
617.35522	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.2922
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98823	0.6
62.77026	0.3
62.90509	0.3
64.70223	0.2
67.44404	0.3
78.11726	0.3
78.95908	6.0
79.95739	2.6
96.96013	100.0
96.96915	9.2
116.92857	0.6
128.79169	0.3
141.17470	0.3
152.99518	0.3
279.23151	0.4
463.50720	0.4
615.17389	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.3184
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.3
59.01378	3.2
61.98829	100.0
62.98565	0.3
63.99265	0.4
69.03455	2.7
69.29962	0.5
69.30383	0.7
70.03784	0.3
71.01384	2.9
72.99313	2.1
73.02952	0.4
75.00861	0.2
75.35600	0.2
76.52813	0.1
83.01388	1.1
85.02967	0.5
87.00874	2.9
89.02441	0.9
93.03473	0.4
93.47004	0.1
95.01395	0.3
96.96015	0.3
97.02946	0.7
98.19900	0.2
99.00883	1.7
101.02441	0.8
105.01940	0.7
109.02946	0.2
111.00881	0.3
113.02459	0.6
115.00368	0.4
117.01953	0.4
119.03538	0.4
119.05023	1.9
120.05372	0.3
125.02468	0.2
127.00384	0.9
129.01967	0.3
135.03024	0.3
139.00424	0.3
141.01939	0.2
142.99858	0.8
143.05037	0.2
147.04539	0.6
154.99886	0.3
157.01488	0.3
161.04614	0.2
161.13332	0.2
163.04025	0.5
179.03493	0.2
179.05641	0.3
181.06662	0.2
185.00919	1.8
186.01253	0.4
186.63158	0.2
197.09747	1.1
198.10042	0.8
205.12360	0.4
211.02510	0.3
211.11234	0.2
212.02832	0.2
213.12871	0.2
221.09743	0.7
223.11220	0.2
235.06119	0.2
237.09245	0.3
249.11440	0.3
250.11743	0.2
257.11725	0.2
267.10275	1.1
273.02484	0.2
295.09824	0.2
301.10727	0.7
302.11102	1.4
311.09216	4.3
312.09525	1.2
328.09055	0.3
346.10065	0.2
391.26920	0.5
399.10760	1.6
429.17944	0.3
430.12500	0.2
430.17996	0.6
575.27100	0.3
579.30347	0.3
580.30402	0.8
616.19794	0.2
616.30554	0.4
617.28192	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80459	2.4
51.01477	2.9
55.01883	5.7
59.01379	65.6
61.98581	2.7
61.98837	32.0
67.01870	2.7
69.03455	100.0
71.01385	42.7
72.99324	16.0
73.02940	5.2
75.00894	3.6
79.01898	7.3
83.01397	5.3
85.02946	12.7
87.00883	13.8
89.02438	33.7
90.83606	2.3
93.03463	8.4
95.01396	7.4
96.96025	8.1
97.02958	40.7
99.00889	24.1
99.04534	3.8
101.02451	23.1
109.02940	3.1
111.00873	6.8
113.02456	18.5
115.00389	5.9
116.92847	3.1
117.01921	3.3
119.03546	14.3
119.05029	27.3
123.00854	2.5
125.02437	4.7
126.46513	2.6
127.00385	4.8
128.23923	2.6
129.01956	3.5
134.03761	5.2
135.03026	6.0
135.04489	5.0
137.02432	3.4
137.39221	2.6
139.00354	4.5
141.01910	19.9
143.03529	4.7
143.05016	5.6
145.02872	2.5
147.04520	6.1
149.02495	3.7
149.04536	3.7
149.06029	2.5
150.03215	3.3
157.01352	3.1
159.03004	5.6
161.04500	3.4
161.06158	2.4
161.13383	11.1
163.04033	12.5
165.01915	3.8
165.05563	3.1
178.02721	2.4
179.05626	8.3
180.04178	2.9
183.06570	4.2
185.00908	80.5
193.05043	8.0
195.06630	6.2
203.01974	47.4
203.03741	1.9
204.39851	2.7
205.12328	29.4
211.07700	6.4
221.43214	2.9
223.07626	3.8
237.09171	4.6
239.10742	6.0
245.09138	4.3
248.69344	2.8
249.11298	26.7
250.11382	3.1
265.08661	7.1
301.10733	3.9
309.07669	4.4
311.09177	11.0
325.82043	2.5
327.08737	55.9
328.09103	6.9
429.17609	47.2
430.18613	4.0
615.19165	69.6
616.19647	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	615.193
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94905	0.8
55.01867	2.1
57.03426	1.8
58.00613	1.2
59.01378	30.8
61.98823	9.8
67.01884	1.1
69.03451	51.4
69.41663	2.4
69.42072	5.1
71.01377	27.8
72.99300	4.2
73.02914	2.0
75.00858	1.5
79.01890	7.1
83.01390	2.0
85.02948	6.1
86.83080	1.0
87.00880	8.5
89.02437	16.2
95.01404	5.8
96.96006	2.7
97.02946	35.4
99.00891	9.8
99.04494	1.7
101.02422	8.4
111.00857	3.1
113.02454	8.5
115.00360	3.8
117.01852	1.6
119.03524	7.6
119.05017	14.3
125.06110	1.1
127.00381	1.1
129.01949	1.4
135.04509	1.3
139.00363	1.7
141.01936	17.0
143.03534	2.5
143.04889	1.3
149.04471	1.5
154.99879	1.6
157.01331	2.9
159.02959	2.9
161.04526	1.8
161.13371	8.1
161.32739	1.1
163.04012	9.0
179.05592	3.9
185.00908	36.3
187.11287	1.5
193.04980	1.9
203.01958	100.0
204.02287	3.2
205.12318	17.2
206.12683	1.5
223.07639	4.1
239.10793	1.2
249.11298	16.5
271.02478	1.5
272.54617	1.1
283.09799	1.5
299.01871	3.6
327.08759	11.9
429.17572	15.7
430.18100	1.4
523.32214	1.2
579.13348	3.5
615.19147	41.4
616.19696	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	615.1928
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79963	0.7
54.11827	0.7
55.01884	4.7
59.01381	10.0
59.95546	0.7
60.03919	0.7
64.46896	0.8
67.01904	1.2
69.03457	100.0
69.19651	8.9
70.03779	0.8
71.01380	6.6
72.99307	2.5
78.44028	0.6
79.01895	6.5
81.27704	1.1
85.02950	2.2
89.02441	7.7
95.01399	3.4
97.02953	19.8
99.00879	26.9
100.01230	0.8
101.02439	2.3
113.02470	2.5
119.03533	2.9
122.93914	0.7
123.00924	0.9
141.01950	11.5
160.97018	0.7
161.13403	2.6
175.69649	0.8
179.05557	4.0
185.00908	90.0
186.01274	3.1
189.75949	1.0
203.02014	6.6
205.12350	7.0
206.12663	1.1
249.11356	8.5
301.10825	1.1
385.18936	1.0
411.92258	0.8
429.17691	15.2
430.18137	1.0
448.25342	0.9
550.90417	0.8
615.19482	9.3
615.29218	1.3
616.20105	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.193
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	5.4
59.01110	1.5
59.01381	22.2
60.27838	0.8
61.98825	9.6
67.01889	1.1
68.02635	0.8
69.03456	100.0
69.42097	4.7
69.42505	1.4
70.03777	1.4
71.01387	15.6
72.99313	4.0
73.02971	0.8
79.01897	7.8
83.01397	0.8
85.02959	5.3
87.00881	1.5
88.04482	0.9
89.02449	17.2
95.01412	4.3
97.02958	17.0
99.00879	27.9
99.04528	1.8
100.01191	1.1
101.02450	7.6
113.02444	6.7
119.03510	10.1
123.00866	2.1
131.03485	1.5
135.03004	1.1
136.12123	0.9
141.01941	10.0
143.03490	1.9
161.04544	2.8
161.13309	6.6
179.05618	10.1
185.00909	63.0
186.01155	1.4
197.09708	0.9
203.01910	2.3
205.12321	19.3
206.12692	1.1
249.11298	26.1
267.65588	0.8
274.12387	0.8
311.09097	1.1
345.09662	1.2
385.18594	2.7
411.74551	1.0
429.17624	67.8
430.17819	6.2
530.78943	0.9
579.29688	1.1
615.19318	12.1
616.19275	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.172
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42240	1.1
59.01383	5.9
61.98829	5.6
62.83554	1.1
65.03949	1.9
68.99833	1.5
69.19003	12.3
71.01382	5.7
72.99282	1.9
73.02967	2.2
77.02100	1.1
83.01416	1.5
87.00872	7.4
93.03452	2.0
93.54032	1.1
96.99315	1.6
99.00925	2.3
109.03001	1.3
111.00880	4.3
113.02454	3.2
125.02463	1.8
127.00373	4.8
129.01869	1.7
139.00374	4.9
141.01956	1.4
147.04515	9.0
157.01419	13.0
161.06023	1.8
183.02962	1.6
191.08607	1.8
205.10193	3.9
207.11781	9.5
211.02432	6.9
233.09752	3.2
251.10764	26.3
251.56516	1.2
252.11179	1.9
277.08774	1.4
295.09750	100.0
296.10141	7.9
311.09436	2.2
337.10706	5.2
367.11740	1.7
392.70731	1.3
583.13898	1.8
615.33411	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28314	1.9
54.34816	1.7
70.04366	3.1
70.04763	4.6
71.01372	8.8
72.99318	4.5
83.01398	3.2
85.02971	2.8
87.00873	20.4
97.02956	1.9
99.00887	6.9
111.00900	5.6
113.02435	3.6
115.00372	3.2
115.05496	3.8
125.02407	2.3
127.00375	43.4
129.01907	7.3
129.10405	1.7
141.01991	2.2
147.03366	2.6
147.04526	41.3
153.01964	2.2
157.01430	12.1
159.02985	1.9
169.01411	8.3
175.02444	4.0
181.01460	2.7
199.02475	14.9
207.11740	6.0
211.02524	3.3
229.03496	14.7
233.09683	4.8
251.10757	8.0
252.10637	1.8
287.03973	3.6
288.61887	1.9
295.09760	100.0
296.10107	6.9
305.05087	3.9
319.06699	6.3
334.27533	1.9
344.01245	1.8
369.47116	2.1
562.61877	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	615.1928
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31094	2.2
55.01864	2.6
57.03426	2.1
58.00596	2.2
59.01383	69.8
61.98832	27.0
69.03455	100.0
71.01012	3.2
71.01385	50.9
71.55820	4.1
72.99300	11.7
75.00861	3.5
79.01900	11.3
79.26743	2.3
83.01373	2.6
85.02966	13.5
87.00882	11.3
89.02453	35.7
95.01367	9.1
97.02956	40.8
99.00875	26.6
99.04507	4.2
101.02450	22.4
111.00861	4.0
113.02428	13.5
115.00395	3.2
119.03508	17.5
119.05011	5.4
123.00842	3.0
135.02980	2.6
141.01964	21.6
143.03468	2.8
147.04437	2.5
149.06091	2.8
151.00357	2.3
155.00005	2.4
161.04582	2.8
161.13319	12.4
163.04022	3.6
165.05556	2.2
179.05603	12.3
185.00916	81.0
187.11264	3.5
203.01958	70.8
205.12323	31.3
205.14137	4.1
211.07625	2.8
227.03471	33.0
229.05136	3.5
249.11316	35.9
255.02974	42.8
256.03488	3.8
265.16568	2.1
284.03241	75.7
285.03925	28.1
301.11008	2.4
311.09396	4.8
327.08752	10.6
385.18423	3.3
429.17627	80.4
430.17841	5.7
471.40558	2.2
552.61755	2.2
579.13489	76.9
580.13989	10.5
615.19244	75.0
615.27063	2.5
616.19373	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	614.2665
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54145	0.2
59.01376	1.0
61.98830	100.0
69.03432	0.3
70.31586	0.2
70.31927	0.8
71.01377	0.6
72.45277	0.2
73.50552	0.2
76.37484	0.3
85.02961	0.4
89.02460	0.2
98.19956	0.3
113.02473	0.3
116.53346	0.2
119.05119	0.3
151.00429	0.3
167.29149	0.2
184.58699	0.2
185.00842	0.2
203.01987	0.3
209.04662	0.4
327.08752	0.4
343.00430	0.2
344.47263	0.2
570.33618	0.3
580.58868	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.2766
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98823	0.6
63.20488	0.2
71.54243	0.4
78.95908	5.3
79.95740	2.9
87.85638	0.2
96.96014	100.0
96.96914	7.9
97.95952	0.3
109.77378	0.2
141.97047	0.2
181.11081	0.2
198.06883	0.2
209.66927	0.2
226.44513	0.2
296.97025	0.2
379.91516	0.2
450.54547	0.2
555.00104	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	612.2509
Annotation	Unknow
Peak:m/z	Relative Intensity
54.69716	0.2
55.70034	0.2
57.60887	0.2
59.01379	4.1
60.01723	0.4
61.98829	100.0
64.75810	0.2
69.03476	0.3
71.01390	1.6
71.55106	0.3
72.99311	0.6
73.02945	0.5
83.01400	0.3
85.02962	0.8
88.81006	0.2
89.02423	1.2
96.96013	0.2
99.00895	0.4
101.02445	1.1
102.02797	0.3
110.00085	0.3
110.92285	0.2
111.00902	0.3
113.02493	0.7
119.03487	0.3
119.05036	0.5
121.02971	0.6
125.02422	0.4
129.01932	0.3
135.04552	0.5
139.00420	0.3
150.03262	0.4
153.13782	0.2
161.04573	0.6
165.01854	0.4
165.05545	0.5
166.99649	0.2
179.03519	0.4
191.80823	0.2
259.71503	0.2
271.02466	0.4
272.02969	0.5
287.02103	0.4
288.02209	0.4
316.02267	0.5
317.02744	1.0
343.07910	0.3
390.22147	0.5
412.52533	0.3
493.13834	0.3
526.26251	0.2
551.27032	0.5
552.27362	1.9
612.12579	1.6
613.18347	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	612.2609
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	0.4
61.98831	0.6
73.02948	6.4
73.73701	0.3
75.00863	0.4
78.95923	0.4
97.72012	0.3
99.00874	1.3
99.92581	8.2
100.92650	0.5
114.93417	0.3
116.92862	100.0
116.97246	5.0
117.01936	13.2
117.05546	0.3
117.92873	4.1
156.39790	0.4
229.54367	0.4
262.46042	0.5
404.61014	0.4
414.29730	0.3
480.30826	0.7
568.94464	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	612.3176
Annotation	Chasmaconitine
Peak:m/z	Relative Intensity
61.13867	0.8
61.98837	2.0
63.58633	0.6
69.87910	1.1
69.88322	2.2
78.94309	0.6
90.05550	0.6
117.68665	0.6
121.02959	100.0
122.03296	1.7
139.93732	0.6
177.93739	0.6
180.05876	0.7
181.06606	8.1
225.05563	7.5
289.61646	0.7
313.07156	15.7
314.07373	0.9
357.06067	10.4
358.06406	1.2
371.15482	0.7
405.53949	0.7
558.04095	0.6
612.31775	51.2
613.32117	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	613.1564
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48911	0.6
51.20559	0.6
55.01867	1.5
55.28315	0.6
59.01361	2.0
61.98829	3.5
68.99807	2.4
69.03448	1.0
69.47121	4.8
69.69624	0.8
71.01385	5.2
72.99337	1.5
73.02934	1.0
75.00855	1.4
83.01384	2.2
85.02940	1.8
87.00874	11.5
89.02422	0.8
93.03458	8.1
96.99311	2.3
97.02938	1.8
99.00883	4.5
101.02437	1.8
103.05548	0.9
103.21356	0.6
109.02878	1.0
111.00887	3.0
113.02457	1.1
114.21276	0.6
115.00302	1.1
115.05535	1.4
117.03468	0.8
119.05031	19.9
123.00856	0.8
125.02427	1.1
127.00376	30.1
129.01952	4.6
131.05052	1.0
135.00815	0.7
137.02400	1.0
138.89154	0.7
139.00349	2.8
141.01921	2.1
143.05040	4.4
145.03006	0.7
145.06641	0.7
147.04514	11.3
148.04945	0.7
151.45923	0.6
153.01962	0.9
157.01437	11.4
163.04015	16.9
164.04439	0.7
165.01878	1.5
167.41740	0.6
169.01448	4.5
175.02470	2.1
181.01393	1.9
182.07285	0.6
183.02939	1.3
191.68137	0.7
195.08145	3.3
199.00734	1.0
199.02441	7.2
206.07266	0.7
211.02498	7.6
219.08234	1.1
221.09692	3.5
222.10266	0.8
223.11241	3.8
229.03496	6.7
249.09207	8.1
257.02957	0.7
267.10257	8.5
287.04074	1.4
293.08145	2.3
311.09241	100.0
312.09583	8.5
319.06668	1.8
353.38425	0.6
439.49356	0.7
449.27362	0.8
619.07581	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	612.1205
Annotation	Unknow
Peak:m/z	Relative Intensity
57.79953	0.7
59.01381	6.6
61.98830	100.0
69.03467	0.8
69.34867	6.5
71.01388	2.4
75.00899	1.2
85.02949	0.9
87.00893	1.4
89.02447	2.0
93.03433	0.7
113.02446	1.5
119.05011	1.3
119.98486	0.8
127.00469	1.0
130.91682	0.7
143.05052	1.1
149.02484	1.1
150.03224	3.5
151.00352	0.9
157.01445	0.7
159.34189	0.8
163.04044	0.9
164.43129	0.7
165.05595	2.8
175.02457	0.8
178.08742	1.2
178.99948	0.8
185.06108	0.8
195.06685	1.5
196.07253	0.8
217.95505	0.7
222.07695	1.3
227.03482	16.7
228.04105	1.3
229.05182	1.7
255.02969	30.6
256.03564	3.6
257.04480	1.0
284.03250	49.2
285.03998	20.1
286.04404	2.1
311.09161	4.7
331.13007	4.9
332.13306	6.1
355.14307	0.8
395.81628	0.7
449.15533	1.6
450.15915	3.7
493.28201	0.8
494.19250	1.3
504.19827	1.3
522.20959	1.0
549.12494	82.1
550.12787	9.7
611.21777	1.0
612.22162	1.6
626.19000	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	612.2299
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04751	0.9
55.97314	1.0
57.03453	1.5
59.01380	15.3
60.01697	0.9
60.31280	0.8
61.98832	32.8
66.86352	1.0
69.03482	2.3
71.01384	6.9
71.55750	1.4
72.99294	2.3
73.02944	3.3
75.00867	2.6
83.01363	1.8
85.02941	2.3
87.00867	2.4
89.02464	2.8
93.03461	1.3
96.52686	1.0
96.96046	1.2
97.02946	1.9
99.00919	2.0
101.02415	4.8
107.05027	1.9
108.02145	2.0
109.02959	2.4
109.06636	0.9
113.02442	2.9
119.03472	0.9
119.05040	1.6
121.02951	2.8
123.04552	2.4
129.10512	0.9
131.03406	1.0
132.08192	9.9
134.09708	1.3
135.02963	1.2
135.04489	3.5
137.02461	1.7
137.06007	1.6
139.03993	1.0
143.05003	2.1
145.05310	2.2
146.03732	1.9
149.02499	1.6
149.06067	3.2
150.03224	1.9
151.04019	2.1
153.05569	2.3
159.04466	1.3
160.07689	10.7
161.06062	9.5
163.03989	1.7
163.07690	2.1
165.05585	4.2
167.07120	2.2
171.04581	1.3
173.06068	1.8
174.03212	4.9
177.05542	2.7
178.08736	97.5
179.03471	1.2
179.07138	3.1
179.09027	4.1
181.05179	1.3
187.04002	1.9
189.01967	1.3
189.05550	24.1
190.05846	1.2
190.08740	3.3
195.06567	2.7
201.05557	2.3
204.06589	6.7
207.06607	10.6
219.06624	2.7
222.07709	100.0
223.08064	2.9
225.07700	2.6
236.09280	1.5
255.08745	3.3
263.09348	1.3
278.10330	11.0
283.02533	2.1
285.04013	4.8
296.88602	1.0
311.09259	1.5
335.13477	2.4
365.14694	5.6
407.16037	1.2
408.26611	1.3
431.09921	1.7
504.19009	1.4
522.19806	6.0
570.21863	14.6
570.30902	1.5
571.22290	2.3
577.15778	2.1
612.13531	1.8
612.22827	25.6
612.31207	1.9
613.23126	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	611.2921
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01910	1.7
57.03452	1.8
59.01382	100.0
61.98830	15.7
64.44138	1.3
68.04319	1.4
70.48497	5.3
71.01008	2.8
71.01385	46.3
72.99310	2.8
73.02950	10.8
74.92095	1.5
83.01379	4.2
85.02961	17.8
87.00863	2.4
89.02441	22.6
91.76440	1.3
95.01409	3.8
99.00870	6.8
101.02451	29.5
111.00902	2.4
113.02448	20.9
119.03505	5.6
121.02899	2.6
139.00345	3.6
143.03435	2.3
149.04498	1.9
151.00349	5.1
155.10802	2.3
159.02942	2.4
161.04552	25.3
163.51570	1.5
165.99069	5.2
178.99841	2.3
179.05588	4.4
190.94185	1.4
209.04539	3.9
213.17381	1.5
227.03561	2.4
227.16539	2.6
243.02757	2.4
255.02953	6.7
256.03357	2.5
257.03488	2.4
271.02496	10.2
283.02472	6.8
284.02969	7.3
285.03528	9.0
286.04105	4.5
287.01889	6.1
287.04739	3.2
290.16913	1.7
299.02011	2.8
316.02206	20.2
317.02911	3.7
352.67349	1.7
389.21768	25.1
390.22107	3.3
447.09152	3.7
448.09534	6.0
449.09897	9.1
491.10922	2.4
551.27112	77.3
552.27399	8.8
611.12732	19.1
612.13263	4.6
621.10303	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	611.292
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58732	1.0
55.01859	3.9
57.03437	2.2
58.00585	1.6
59.01381	69.8
61.98830	67.3
62.28160	1.0
67.49529	1.0
69.63828	8.1
71.01382	43.8
72.99297	3.4
73.02940	13.3
73.66101	1.0
75.00865	2.7
83.01385	9.0
83.83623	1.1
85.02954	18.9
85.73550	1.3
87.00877	3.7
88.98794	2.1
89.02436	20.5
90.25582	1.2
93.03463	1.2
95.01381	3.2
96.37602	1.1
97.02890	2.5
99.00886	6.4
101.02437	32.9
102.36769	1.1
113.02444	19.4
119.03493	8.8
121.02946	2.1
125.02396	3.1
134.03702	2.6
135.04520	1.2
143.03455	3.8
149.06064	1.7
151.00337	3.6
159.02966	2.9
161.04541	13.3
165.01895	2.7
165.05629	1.6
175.02515	1.3
178.99911	1.6
179.05598	4.6
179.07074	1.5
193.05040	7.8
195.06580	3.3
195.62396	1.2
227.16580	1.5
239.08655	1.4
271.02451	5.3
277.05154	1.3
299.02014	5.5
316.02240	3.2
317.02997	3.8
371.19821	4.5
389.21838	16.9
419.14249	1.3
433.20795	1.3
493.17084	3.6
551.27075	100.0
552.27380	10.2
611.13147	5.2
611.28351	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2918
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	2.3
57.03439	1.7
59.01381	100.0
60.01710	1.0
61.98832	19.2
69.03442	1.7
71.01382	38.8
71.55041	1.2
72.99310	2.1
73.02945	8.7
81.03457	1.2
83.01376	3.7
85.02951	14.6
87.00866	3.2
89.02449	15.1
95.01379	4.4
97.02943	1.3
99.00869	3.5
101.01791	1.5
101.02439	23.1
113.02458	15.0
119.03513	5.7
125.02397	2.0
127.03963	1.1
131.03447	1.2
135.03027	1.0
135.04509	3.6
137.02441	1.0
139.00368	1.0
139.07587	0.9
143.03494	2.1
150.03152	1.2
151.00307	1.8
151.04031	1.5
155.10822	1.5
159.02975	3.3
161.04558	21.7
163.04066	1.1
165.04048	1.0
165.05527	0.7
166.02737	2.2
175.03970	1.3
178.99861	1.0
179.05714	4.3
181.05043	2.6
193.05054	1.0
195.06604	1.2
205.03545	0.9
209.30525	0.9
213.81107	0.9
219.02950	1.4
227.16576	2.9
234.05376	2.3
235.02449	1.2
249.07674	1.2
267.08752	2.4
271.02414	2.6
287.02100	1.1
299.01932	2.8
316.02130	2.8
371.07550	2.1
387.09283	0.9
389.21790	20.0
390.22189	2.1
401.08844	1.2
431.09848	1.2
485.96417	0.9
551.27075	57.4
552.27490	5.6
561.32813	0.9
610.95587	0.9
611.12585	2.3
611.22400	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2731
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98838	4.3
71.01392	1.6
75.56327	1.6
78.95905	74.9
79.95760	3.9
95.22903	2.0
96.96015	94.4
96.96970	100.0
98.17333	1.8
113.92560	2.8
114.93422	2.5
138.69960	1.9
196.80815	2.1
198.94113	2.0
214.63109	1.8
253.09224	2.2
277.21725	9.8
351.06210	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	611.2553
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.2
55.62594	0.8
57.03427	1.4
58.00587	2.9
59.01378	76.6
61.27634	0.9
61.65253	0.9
61.98820	1.2
69.37853	2.8
69.38280	4.5
71.01379	37.3
72.99298	3.9
73.02954	2.0
81.72035	0.9
83.01378	2.2
85.02951	8.7
85.49931	0.9
87.00890	1.5
89.02444	33.3
95.01400	4.3
99.04514	20.8
101.02441	19.0
102.81363	1.0
103.66455	0.9
111.04514	2.0
113.02453	11.1
114.62950	1.1
119.03500	10.5
131.03502	0.8
134.03743	1.0
143.03456	2.1
149.04562	1.0
161.04556	1.2
168.61546	1.0
179.05612	3.6
189.12833	6.4
193.05028	2.2
204.23038	0.9
207.13896	42.3
208.14227	1.3
209.11842	3.2
225.15001	1.5
251.12875	82.7
252.13193	4.4
269.13950	7.4
311.14990	0.9
387.20242	2.7
431.19189	100.0
432.19528	7.9
449.14621	1.2
449.20255	13.0
611.25470	88.0
612.25647	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	611.1408
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	26.0
61.98829	25.3
65.00324	1.9
71.01376	5.4
72.99299	1.1
73.02945	1.0
73.41929	0.8
79.75725	0.9
83.01392	3.6
85.02954	2.3
87.00885	2.6
88.98806	3.3
89.02451	2.2
98.20645	3.5
107.01413	6.3
108.02169	1.0
109.02954	1.7
113.02416	2.4
115.00372	1.0
121.02913	3.9
122.50948	0.9
125.02506	1.1
135.00894	1.5
135.03041	1.1
147.04471	2.3
148.01685	1.8
149.02423	3.0
150.03242	2.6
151.00380	25.6
162.82542	1.0
163.00363	3.2
164.04820	1.0
165.05540	3.8
169.01329	1.1
175.02463	1.6
175.03853	1.2
177.40486	0.9
178.99867	11.2
195.06622	4.1
199.04054	1.1
201.05580	1.3
211.04060	2.0
213.05492	1.8
227.03571	1.4
229.05109	1.8
229.71400	1.0
239.03503	1.9
241.04955	1.9
242.02179	1.6
243.02948	7.9
254.02162	2.1
255.02983	22.9
256.03571	3.4
257.04523	4.9
267.02908	1.4
268.03668	1.8
269.04086	1.2
270.01724	1.1
271.02478	55.0
272.02921	4.3
283.02615	1.4
284.02820	1.5
285.04037	5.2
295.09720	2.2
299.02039	5.0
300.02744	92.3
301.03491	74.8
301.06351	0.9
302.03833	4.0
313.03543	27.1
314.03931	2.5
326.11508	1.3
341.10352	2.0
341.13876	5.5
347.09195	2.1
359.09149	2.6
375.08594	2.8
387.08771	2.2
389.16284	1.6
403.08389	1.2
404.08987	37.7
405.09692	13.8
431.07751	11.1
431.26968	1.4
449.08746	12.8
450.09140	1.1
451.91269	1.5
463.08826	100.0
464.09274	8.2
567.15045	26.2
568.15192	3.4
593.13037	2.0
611.14020	25.1
611.27948	1.6
612.14398	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	611.141
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.3
59.01379	14.2
61.98833	58.0
65.00325	2.6
71.01383	7.8
72.99315	2.1
73.02934	1.3
83.01396	4.0
83.88376	0.9
85.02965	3.0
87.00863	2.0
88.98789	2.3
89.02444	3.7
93.03447	1.4
93.81773	0.9
95.01376	1.6
96.95993	1.1
98.83076	1.1
101.02454	4.7
107.01389	5.1
108.02191	1.2
109.02961	1.7
113.02445	2.4
119.03511	2.1
119.05050	0.9
121.02959	4.0
125.02478	1.8
127.00398	1.6
135.00888	1.1
135.02972	1.1
147.04555	2.7
149.02502	1.0
150.99179	1.6
151.00368	24.3
157.01462	1.2
158.06793	0.9
163.00385	2.9
169.01443	1.1
175.02541	1.9
178.99889	9.8
179.05511	1.0
199.03966	1.6
201.05486	1.3
215.03369	1.0
226.02693	1.3
227.03479	2.7
229.05309	1.0
229.47763	0.9
243.02930	11.1
245.04523	1.8
254.02252	2.8
255.02979	27.3
256.03442	1.9
271.02457	51.6
272.02997	3.8
273.04037	2.4
283.02374	1.6
295.09802	3.7
299.01904	6.1
300.02753	100.0
301.03494	74.3
302.03934	4.9
313.03461	1.9
341.10220	2.1
387.08508	1.1
404.08405	1.0
405.09680	1.3
431.07623	13.4
431.26559	10.6
449.08783	29.4
450.09192	1.5
462.59238	1.0
463.08807	91.6
464.08914	7.3
492.95990	1.2
511.37906	1.1
543.75568	1.0
573.19543	2.3
593.13214	1.6
594.13763	1.2
611.14288	14.1
611.33972	6.3
612.14685	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1406
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88874	1.0
59.01376	6.3
60.36683	0.9
61.98531	1.5
61.98832	23.7
63.02384	1.7
64.26194	0.9
65.00319	4.3
70.69541	2.3
71.01379	3.0
72.99284	1.4
73.02954	1.3
83.01389	4.3
83.70109	1.0
87.00842	1.6
88.98803	1.3
89.02439	1.4
101.02423	1.8
107.01396	10.6
113.02422	1.9
119.05016	1.0
121.02970	1.0
124.01608	1.6
125.02419	1.9
147.04472	1.3
149.02449	1.0
150.99191	1.9
151.00372	35.8
152.01216	4.6
161.02394	1.0
163.00328	2.1
169.01442	1.4
175.02420	1.0
178.99847	16.0
192.00676	1.3
193.01309	1.2
197.09695	1.4
213.09038	1.1
225.09189	3.3
228.63681	0.9
253.08615	1.3
255.02826	1.5
257.03815	1.1
271.02499	5.2
279.06641	1.3
295.09836	1.1
299.01892	1.7
300.02725	5.7
301.03195	1.6
313.03632	7.6
327.05121	2.5
341.10260	2.6
347.09229	1.4
359.08978	4.7
361.06824	1.2
375.08673	3.3
403.08240	12.9
404.08936	22.1
405.09744	16.8
406.10059	2.1
416.30978	1.4
419.23117	1.3
431.07684	28.9
432.08273	1.5
436.07974	6.3
448.07935	8.5
449.08749	57.3
450.08765	5.1
494.30673	1.0
567.15070	3.1
593.13104	2.7
611.14014	100.0
612.14478	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	611.0956
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21760	13.8
60.51302	13.1
61.98825	29.6
70.99550	30.3
70.99894	16.5
78.95902	81.9
86.64647	13.5
96.96033	100.0
96.96973	90.1
141.63110	14.4
205.89297	13.6
372.62305	17.5
496.77628	14.6
505.98221	15.3
638.36749	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	611.1259
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	10.1
59.38037	0.5
61.98832	5.8
65.00335	1.1
71.01379	5.3
71.55115	1.0
72.99335	1.6
73.02965	1.2
74.33453	0.6
75.00888	0.9
83.01429	1.3
85.02970	2.4
87.00903	1.7
88.98832	0.9
89.02439	4.1
91.01932	0.6
95.01422	1.0
96.96027	0.7
97.02974	0.7
101.02441	2.9
104.25705	0.7
107.01434	2.2
109.02939	1.1
113.02482	2.7
118.91323	0.5
119.03500	1.2
124.01680	3.1
125.02459	2.7
134.03722	0.6
135.03099	1.0
136.01677	1.3
137.02448	2.1
147.04552	0.8
151.00371	9.4
152.01141	2.0
161.04659	0.7
163.00397	1.6
164.01140	3.2
165.01947	1.7
165.05533	0.8
175.03992	1.0
178.99863	11.6
180.04222	0.5
185.00798	0.6
193.05092	2.6
195.06650	1.0
199.03984	0.6
201.01910	0.6
203.03561	0.8
214.02693	5.6
215.03329	0.7
219.03053	0.7
227.03497	1.2
242.02193	6.0
243.03075	3.2
259.02444	5.8
270.01709	6.4
271.02460	40.0
272.02921	2.9
287.01962	20.0
288.02457	2.5
299.01892	5.6
300.02325	2.0
301.02899	2.3
302.03705	0.7
315.01602	1.5
316.02228	100.0
317.02850	16.2
318.03305	1.4
331.12909	1.3
448.09259	0.9
463.15839	0.6
465.09113	0.7
493.17078	1.5
551.27094	2.3
611.12482	69.8
611.28900	2.5
612.12854	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	610.1993
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	23.9
61.98832	100.0
69.03458	1.1
71.01389	8.5
71.55679	0.7
72.97491	0.6
72.99331	1.1
73.02949	13.5
75.00850	0.9
80.90346	0.4
83.01391	4.7
85.02972	1.8
87.00902	1.1
89.02464	3.0
95.01411	0.6
97.02959	0.5
99.00845	0.6
101.02448	13.4
107.01382	0.8
113.02448	5.1
114.95937	0.5
119.03478	2.3
125.02494	1.0
131.03557	1.7
135.03062	0.6
143.03525	1.6
149.04568	4.7
151.00400	2.3
152.00677	1.2
161.04561	7.3
162.04863	0.5
169.17038	0.5
175.07661	3.0
178.99898	1.4
185.00989	0.6
200.59505	0.5
203.03159	0.5
203.05608	0.8
221.06729	3.3
242.02277	0.6
243.02885	2.5
244.03337	1.6
251.12849	1.5
255.02843	1.2
256.03314	1.1
258.04941	0.6
271.02512	3.4
272.02878	3.2
285.04398	0.5
286.04498	0.8
299.02069	2.5
300.02582	6.3
301.03320	7.1
302.03900	5.0
314.04327	1.9
315.04776	3.4
315.07928	0.5
316.05273	1.3
331.13232	0.9
447.09360	3.8
448.09689	7.6
463.08975	0.7
464.09128	1.4
481.55777	0.7
610.14874	8.3
610.30011	0.9
611.14612	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	610.2717
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	1.5
61.98830	100.0
71.01400	0.9
71.55674	0.2
72.99290	0.2
73.02938	0.4
83.01387	0.2
85.02966	0.2
87.00896	0.3
88.98800	0.3
89.02441	0.3
101.02416	0.3
107.01409	0.3
109.02979	0.2
117.01955	0.2
118.01121	0.2
125.02477	0.4
137.95763	0.2
147.04587	0.2
151.00386	1.2
155.74382	0.2
178.99860	0.5
206.54369	0.2
243.02979	0.6
255.02948	0.9
271.02521	2.1
272.03137	0.2
295.09897	0.3
299.02112	0.6
300.02756	3.3
301.03482	3.2
341.10370	0.4
431.07941	0.5
435.06064	0.2
449.08719	1.6
463.08768	2.7
506.35034	0.2
535.10449	0.3
569.25549	0.2
610.15179	0.7
610.32880	0.2
611.13824	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.4136
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38474	1.2
59.01372	4.7
61.98826	2.7
63.43084	1.3
71.54823	1.7
95.04996	3.2
96.95931	1.4
109.06547	1.6
114.38068	1.3
121.10241	22.9
122.10545	1.4
125.02477	1.6
125.09736	1.4
127.93327	1.6
128.85088	1.2
133.86198	1.4
171.10265	70.0
172.10602	1.8
185.11772	2.3
207.10014	2.2
220.53738	1.5
224.88908	1.5
231.21156	6.0
271.02539	1.9
275.20145	78.8
276.20508	5.2
278.11334	12.7
293.21228	83.5
294.21552	7.4
297.18314	3.6
299.02072	3.3
300.02615	2.4
315.19388	42.3
316.19580	2.6
359.18378	8.6
462.76834	1.4
609.14380	4.6
609.41260	100.0
610.41840	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	609.5093
Annotation	Unknow
Peak:m/z	Relative Intensity
70.77185	31.9
70.77511	28.1
108.45033	17.3
109.12838	17.9
130.60669	16.6
139.64992	18.4
235.80687	18.9
279.23239	100.0
435.73749	20.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2763
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	1.6
56.36024	1.2
57.03443	2.1
58.00586	2.4
59.01380	100.0
61.98816	5.5
71.01383	45.3
71.55315	1.9
72.99302	4.3
73.02948	6.4
75.00847	1.9
83.01374	4.5
85.02946	9.8
87.00873	5.0
88.98827	2.7
89.02444	47.5
95.01353	3.6
96.96029	1.6
97.02954	2.0
99.00895	2.1
101.02440	28.1
107.01378	1.8
109.02931	3.1
109.28703	1.2
111.00883	1.9
113.02453	20.7
119.02667	1.9
119.03502	20.8
121.02921	2.3
125.02465	8.2
131.03526	2.3
135.02998	3.1
137.02406	2.0
143.03481	5.8
149.02422	1.4
149.04491	2.3
151.00391	7.6
151.03955	1.4
158.03654	1.5
159.02895	1.4
161.04550	14.2
163.00327	1.5
165.01860	2.3
165.05545	2.1
177.01984	2.8
179.05617	18.6
183.42873	1.4
187.03891	1.8
199.04037	1.5
202.02702	1.9
215.03496	1.5
227.03447	6.4
229.12347	1.7
242.02310	1.4
243.02879	7.3
243.15929	1.5
255.02985	23.3
256.03534	2.1
258.01648	3.6
267.12320	2.3
271.02441	28.8
272.02954	2.9
273.03799	1.4
283.02499	27.4
284.03122	11.1
285.04013	18.3
286.01242	1.9
286.04416	1.5
299.01935	31.9
300.02728	17.5
301.03479	21.7
302.03928	1.9
313.03604	1.3
314.00635	10.4
314.04004	2.3
315.01321	4.8
362.55603	1.4
369.19153	2.9
387.20123	10.0
445.07800	1.7
446.08670	7.2
447.09286	36.8
447.18857	3.4
448.09756	4.6
462.07773	7.0
463.08707	10.6
489.09906	1.7
502.12375	1.5
549.25537	41.4
550.25702	4.9
567.70038	1.3
609.14429	44.8
609.22144	1.9
610.14551	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1459
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11125	0.6
54.46799	0.7
59.01376	1.9
59.67760	0.6
60.96194	0.7
63.78578	0.6
65.00331	1.7
66.93011	0.7
71.00816	1.5
71.01396	0.8
90.75964	0.6
107.01385	4.0
108.02206	1.4
109.02943	1.5
116.17010	0.8
121.02965	2.1
125.36089	0.7
132.80687	0.7
139.89873	0.6
144.55573	0.6
148.01649	1.4
151.00374	13.0
163.00307	2.0
164.01129	0.8
165.01898	0.9
178.99905	5.3
179.01237	0.9
199.03993	0.8
226.02707	1.5
227.03502	3.5
229.04939	0.9
243.02972	12.3
244.03513	1.1
254.02127	2.5
255.02975	29.5
256.03302	1.9
271.02481	61.4
272.02966	4.6
273.03943	1.7
273.92114	0.8
299.02054	1.6
300.02737	100.0
301.03452	31.7
302.03937	1.6
343.04419	0.7
359.59241	0.7
447.09286	9.4
449.20120	0.9
495.18906	0.8
609.14606	99.9
610.14862	13.0
610.23889	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1459
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77829	1.1
59.01384	6.7
61.34023	0.9
61.98821	3.5
63.02361	1.0
65.00319	2.5
69.03453	2.7
69.91045	4.2
71.01381	4.4
73.02946	1.6
83.01411	1.2
87.00893	1.4
89.02436	3.2
97.02915	1.3
98.19922	1.3
99.00849	1.3
101.02432	1.6
107.01388	4.2
108.02150	1.8
108.53800	1.0
113.02442	1.8
121.02934	3.1
135.02966	1.0
150.03252	1.7
151.00369	17.1
163.00388	1.9
164.01060	1.0
164.86661	1.1
165.05553	1.4
178.99828	6.2
181.12349	1.8
185.00905	1.8
188.56235	1.1
195.06523	1.2
211.03981	1.9
225.11235	3.3
226.02681	1.1
227.03468	3.0
229.05066	1.5
243.02934	9.9
245.04440	2.2
254.02257	1.9
255.02986	30.3
256.03418	1.4
271.02466	61.4
272.03030	4.3
283.02502	2.5
284.03030	1.2
299.02032	3.5
300.02750	100.0
301.03470	48.6
302.03812	2.7
315.22250	0.9
405.17984	2.3
405.24591	1.9
447.09317	23.7
448.09570	2.1
463.08929	1.7
609.14587	92.9
610.14850	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	609.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93637	0.7
57.03450	0.8
59.01381	54.3
61.98824	3.9
68.99121	0.7
69.03466	1.4
69.48303	5.4
69.48619	1.3
71.01385	19.6
72.99290	1.8
73.02951	26.1
75.00871	0.7
83.01388	6.1
85.02969	3.7
87.00893	1.4
89.02474	4.0
93.03447	4.7
95.01362	1.0
95.05074	0.8
95.84872	0.8
97.06596	0.8
98.19863	0.8
99.00871	1.7
99.04525	0.8
101.02447	24.5
104.15823	0.7
109.02969	2.2
113.02457	11.9
115.00364	0.8
119.03544	3.3
121.02940	6.6
122.03754	15.4
125.02505	0.8
131.03502	2.3
132.02184	1.0
133.02951	1.6
134.03738	0.7
135.00957	0.8
135.04529	0.8
136.01750	0.9
137.02414	1.0
139.03926	0.7
143.03496	3.0
149.02446	40.4
149.04535	3.2
150.03229	100.0
151.00443	0.8
151.03581	3.9
156.10597	0.7
159.64708	0.8
161.02466	1.2
161.04587	7.7
162.03250	1.6
163.04002	1.5
163.07640	1.0
164.04793	12.6
165.05571	97.0
166.05908	4.3
176.04778	0.7
177.05582	2.8
178.99623	0.8
179.03471	2.0
179.07132	0.8
180.04254	6.7
191.07138	1.1
193.08684	2.2
194.05762	2.3
195.06627	64.4
196.06972	2.3
198.05531	0.6
201.11365	0.8
203.05594	2.5
209.08185	6.4
221.06673	3.3
227.03555	1.2
234.27267	0.7
240.17606	0.6
255.02971	1.6
257.04382	0.8
271.02505	3.2
285.03949	1.3
299.02060	1.3
300.02863	3.6
301.03448	2.4
313.10889	1.5
314.04242	0.8
315.05038	4.6
327.08640	1.0
342.11038	4.4
357.13422	61.8
358.13751	4.5
360.24866	0.7
387.14389	1.0
405.15591	3.7
405.20145	0.8
501.17950	5.7
549.19556	1.7
561.19879	1.4
565.28156	0.8
567.20679	2.2
609.13367	5.4
609.22473	4.3
609.30170	1.3
610.14807	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1459
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54772	0.6
52.90680	0.6
54.00568	0.6
59.01381	2.2
59.69685	0.5
64.05238	0.5
64.56287	0.5
69.60685	1.2
69.61090	2.6
71.01388	1.2
83.01385	0.9
85.02942	0.7
89.02441	0.7
98.19829	1.0
107.01418	1.9
109.02992	1.2
118.05614	0.5
121.02940	0.8
135.00958	0.8
135.03050	0.6
137.02524	0.6
151.00357	9.3
158.35863	0.6
163.00394	1.4
164.01193	0.7
165.01974	0.9
171.04561	1.4
175.04077	0.9
178.99866	2.4
187.03990	1.8
192.78180	0.6
199.03992	3.1
201.05518	1.0
211.04030	0.9
215.03500	1.7
226.02814	0.9
227.03506	5.5
229.05093	1.5
242.02197	0.7
243.02969	4.8
255.02969	8.9
256.03696	1.3
257.04269	0.8
271.02469	49.8
272.02695	3.4
283.02417	1.8
284.03220	6.0
285.03955	4.7
287.01971	6.3
299.01968	91.4
300.02621	15.3
301.03534	33.1
302.03952	2.2
315.01459	16.1
316.02054	2.1
317.02951	2.9
328.68796	0.6
446.08524	26.6
447.09244	24.3
448.09857	1.4
462.08017	5.1
463.08813	15.8
464.09100	1.5
609.14575	100.0
610.14771	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	609.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
58.15945	0.4
59.01372	1.4
61.98820	0.9
63.84098	0.4
65.00334	1.0
69.42096	1.5
69.42526	1.7
71.01392	0.6
73.98035	0.4
83.01375	0.7
93.03452	0.4
98.20608	0.7
107.01382	1.6
108.02182	1.5
121.02967	0.7
135.00876	0.9
148.01649	0.9
151.00366	4.6
153.01979	0.5
161.78056	0.5
163.00386	1.1
164.01149	0.9
178.99896	2.6
199.04091	0.7
211.04060	0.8
215.03473	0.7
226.02681	1.4
227.03369	2.8
243.02977	10.2
244.03278	0.6
254.02115	1.6
255.02975	26.3
256.03278	1.5
271.02460	54.4
272.02890	4.4
273.03897	0.7
284.03232	1.1
299.01981	2.5
300.02740	100.0
301.03342	12.6
330.88849	0.5
609.14575	66.4
610.14899	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	609.146
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62963	1.1
59.01373	15.1
61.98813	2.3
66.14541	1.0
69.47143	5.5
69.47573	3.4
71.01385	10.2
73.02943	1.8
83.01381	2.2
85.02936	3.6
87.00881	2.1
89.02423	8.7
101.02435	4.8
107.01383	3.0
108.41574	1.0
109.02929	1.9
113.02443	3.9
113.76355	1.3
119.03497	2.9
121.02933	1.7
125.02409	2.1
133.02934	1.8
135.02954	2.6
137.02406	1.3
147.00893	1.3
151.00380	10.5
161.04500	2.6
164.01134	1.7
171.04478	1.4
175.00415	1.4
178.99861	2.7
179.05603	3.9
199.03946	4.1
211.04045	1.3
215.03557	1.7
226.02460	1.5
227.03511	6.7
231.03006	1.4
237.09045	1.2
243.02980	4.7
245.04390	1.4
255.02986	16.9
257.04520	1.2
269.01004	2.0
271.02466	69.8
272.02899	4.2
283.02512	15.6
284.03192	2.7
285.04025	9.4
297.00134	1.8
299.01956	98.5
300.02631	22.6
301.03516	74.9
302.03824	3.5
343.04532	2.5
369.19177	3.0
387.20279	3.3
445.07822	6.3
446.08664	4.2
447.09293	24.9
448.09662	2.0
462.07968	24.1
463.08759	31.6
464.08841	3.7
466.48508	1.2
489.10654	1.2
549.25427	6.3
609.14587	100.0
610.14838	13.7
624.01935	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1459
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79349	0.6
56.64354	0.6
59.01371	2.3
61.98825	1.1
62.63969	0.6
65.00336	1.2
67.24873	0.6
69.24366	1.0
69.24780	5.0
71.01376	0.9
83.01376	0.7
87.20258	0.7
95.38118	0.7
97.20034	0.6
101.02478	0.9
105.54821	0.6
107.01388	2.0
109.02977	1.1
122.99863	0.7
133.02934	0.7
151.00351	6.4
163.00363	1.4
171.04509	0.9
175.04063	0.8
178.99954	0.9
187.03912	0.9
199.04025	3.1
201.01974	1.4
201.05515	0.9
211.03995	1.4
215.03526	1.7
227.03462	3.7
229.05109	1.4
238.73540	0.7
243.02951	5.3
255.02974	6.9
257.04443	0.7
271.02463	55.0
272.02914	4.1
283.02588	3.9
284.03293	1.0
285.04099	2.1
299.01959	100.0
300.02536	14.5
301.03525	39.8
302.03857	2.7
425.32388	0.7
444.36185	0.8
446.02277	1.5
446.08517	28.0
447.09244	25.6
448.09741	2.0
463.08817	12.1
464.09015	0.9
512.73999	0.8
609.14575	80.4
610.14752	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	609.1461
Annotation	Cyanin
Peak:m/z	Relative Intensity
50.11487	0.7
57.03431	0.8
59.01381	20.7
61.98832	6.4
65.00334	1.5
71.01382	12.3
71.55269	1.0
72.99318	1.0
73.02931	2.3
83.01377	3.0
85.02955	4.8
87.00868	1.2
88.98817	0.8
89.02442	8.5
91.15121	0.7
96.96027	2.6
99.00866	0.9
101.02433	8.2
102.98681	0.7
107.01392	2.8
109.02975	2.3
110.00085	0.8
110.22704	0.7
111.00826	1.3
113.02449	5.2
119.03484	2.9
121.02940	1.8
125.02442	3.9
134.06067	1.0
135.02988	2.6
137.02452	1.2
137.99442	0.7
139.00320	1.3
139.04037	1.2
143.03543	1.2
145.03015	0.9
149.04466	0.7
150.03329	0.7
150.15382	0.7
151.00363	11.4
153.09100	0.9
159.60934	0.7
161.02477	1.4
161.04581	3.0
163.00320	1.3
163.05847	0.8
163.81203	0.8
164.01218	1.1
165.05490	0.7
165.99138	1.7
175.00378	1.1
175.03978	1.4
177.01871	1.3
178.99841	2.5
179.05634	2.8
183.04501	1.5
187.03931	0.8
191.03452	0.8
192.06674	1.3
199.04059	4.3
211.04048	2.4
215.03575	1.2
223.13481	1.0
226.02690	1.3
227.03465	7.0
229.05145	1.6
243.02940	8.2
254.02272	1.8
255.02963	24.3
256.03363	2.3
262.59293	0.9
271.02472	62.0
272.02945	5.6
283.02496	17.2
284.03217	3.3
285.04056	16.0
286.04465	1.4
299.01968	79.5
300.02692	29.5
301.03516	62.8
302.03790	3.0
315.01422	1.1
343.04553	1.4
357.13278	1.1
369.19510	1.0
375.14856	0.8
387.20209	2.1
445.07892	4.1
446.08487	6.5
447.09290	27.0
448.09512	1.8
462.08020	23.5
463.08817	24.9
464.09003	2.4
489.10336	2.2
519.19873	2.6
549.25519	9.5
567.26563	2.7
609.14587	100.0
610.14899	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	609.1249
Annotation	Kaempferol 3-(6''-caffeoylglucoside)
Peak:m/z	Relative Intensity
57.03447	13.1
59.01367	4.4
61.98827	2.5
65.88782	1.1
69.03432	1.2
69.92787	3.7
71.01378	2.4
81.03439	1.4
83.01377	2.5
83.05049	1.2
93.03472	3.6
96.95990	2.2
97.02938	2.2
98.20506	1.6
99.04459	1.2
105.03428	1.3
107.05021	1.5
108.02148	2.9
109.02946	13.7
111.04503	2.2
121.02940	9.2
123.00887	4.3
123.04510	1.4
124.01670	3.0
125.02445	100.0
126.02801	2.1
126.14975	1.4
126.72517	1.0
131.05022	1.4
133.02940	2.7
135.04524	2.0
137.01448	2.0
137.02434	25.5
139.04010	13.3
142.80626	1.2
149.02423	8.5
151.03961	4.8
152.01172	3.4
159.04430	1.6
161.02446	3.8
163.04019	2.9
164.01143	4.1
165.01932	13.3
166.02620	1.1
167.03481	12.3
173.06273	1.0
175.04005	6.1
175.07799	1.0
177.01921	72.9
177.05508	3.0
178.02373	2.1
179.03503	9.1
187.03954	5.3
193.05038	1.2
199.04053	2.2
200.04886	1.4
201.05569	1.6
203.03496	3.3
204.04233	2.6
205.01328	1.8
211.03969	2.0
215.03523	1.8
217.05014	3.5
219.06593	8.9
221.04588	5.4
227.03496	3.7
228.04236	2.2
229.05061	3.4
243.02963	6.7
255.02968	24.3
256.03702	4.4
257.04507	1.9
261.04031	3.2
261.07635	2.5
269.04459	3.7
271.02420	2.1
273.04041	3.6
279.10843	1.5
282.01840	2.1
283.02478	16.5
285.04056	8.2
297.04047	6.4
298.04504	1.4
299.01996	3.9
301.03482	2.7
303.05069	8.1
305.06653	70.2
306.06940	4.8
314.00757	1.4
315.05084	2.5
397.09235	3.1
423.07184	88.5
424.07645	6.9
441.08243	19.5
442.08853	2.0
447.09244	5.5
483.09497	6.0
609.13574	14.9
610.13586	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	608.3205
Annotation	Unknow
Peak:m/z	Relative Intensity
56.19444	0.8
59.01385	0.7
59.08060	0.6
60.99307	16.4
61.98848	0.9
65.51576	0.7
70.59954	2.1
78.95908	11.1
88.00401	4.7
88.98808	100.0
89.02448	13.4
89.99133	1.0
96.96964	2.0
115.37970	0.7
144.21860	0.7
152.86166	0.7
152.99611	1.8
172.79395	0.7
256.03815	0.7
279.23328	3.4
312.53494	0.8
346.05569	4.0
459.25226	1.4
609.14734	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	608.3202
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57594	0.5
60.99311	15.3
61.98841	1.0
69.24779	1.4
69.25198	2.7
71.42636	0.5
78.95896	3.7
84.72018	0.4
87.00888	1.2
88.00396	4.6
88.04051	0.5
88.98808	100.0
89.02445	14.7
89.99114	0.8
95.65706	0.5
98.20782	0.4
101.63482	0.4
125.00091	0.6
152.99602	1.4
279.23230	4.6
280.23779	0.7
346.05634	0.6
433.23523	0.7
459.25208	0.7
460.26291	0.5
504.30927	1.2
504.70346	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42245	5.2
54.37454	4.8
57.03441	5.1
59.01382	90.9
61.98835	41.4
69.03459	79.6
69.60038	16.8
69.60451	15.3
71.01382	45.5
72.99309	13.2
73.02951	30.2
83.01406	5.4
85.02959	27.2
87.00879	19.7
89.02458	20.2
94.79390	6.5
96.96001	13.6
97.02937	11.3
98.69563	5.5
99.00896	39.9
101.02470	25.7
102.98581	6.0
111.68651	4.9
113.02417	17.5
121.02950	7.7
127.00381	5.1
131.03505	5.4
131.10336	5.2
133.04233	5.4
135.02992	9.4
141.01935	8.2
145.28726	5.0
157.01404	5.1
161.02448	6.6
171.10263	5.2
185.00917	100.0
193.05122	9.9
193.07140	7.8
194.05765	6.7
215.12845	7.9
220.43336	6.0
258.89557	5.9
269.08167	6.0
269.37891	5.6
281.08231	9.5
311.09302	6.6
315.18149	11.5
316.77493	6.0
403.23267	11.6
421.24271	20.3
458.15845	7.4
473.18109	22.5
473.24298	5.5
476.16956	7.8
485.18399	24.4
489.23172	12.2
491.18912	19.1
503.19168	26.7
533.20258	50.3
534.21198	6.9
545.20294	23.2
547.27838	13.2
607.25922	30.3
614.87317	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	607.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01099	1.2
59.01380	14.4
61.98818	2.7
62.20097	0.6
70.30817	1.4
71.01376	4.9
72.99310	100.0
73.02958	1.1
73.99654	0.8
75.00880	2.3
83.01390	1.1
84.71006	0.6
85.02952	1.7
87.00874	3.2
89.02447	1.4
91.05553	2.2
97.02973	1.3
99.00913	1.2
101.02450	2.0
113.02453	3.0
115.05449	1.1
117.03476	5.3
119.05006	0.8
121.02949	5.1
127.00427	0.7
135.03033	0.7
135.04597	0.9
142.99821	1.1
147.04530	6.5
163.04015	0.8
173.22928	0.7
193.10262	1.1
205.10242	1.2
207.11790	9.7
221.09666	3.7
233.09694	19.9
233.12006	1.2
234.10095	1.1
238.05878	0.9
245.09634	0.8
293.08804	4.5
295.09747	3.7
325.15955	3.5
369.14938	93.8
370.15259	9.4
381.15051	2.5
533.22369	0.8
551.58313	0.7
563.34369	1.3
571.18298	2.7
589.21289	2.1
607.27576	1.9
614.28009	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	608.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29943	0.5
59.01379	100.0
60.01706	1.3
60.57208	0.5
60.99281	0.8
61.98840	1.5
65.00705	0.6
69.97264	2.6
78.95915	2.4
88.98800	3.2
89.02475	0.9
94.98092	1.2
96.96994	0.6
121.02969	2.2
122.02490	3.8
136.21976	0.6
172.26552	0.5
184.87126	0.7
252.45615	0.5
271.02625	0.7
308.09467	0.8
308.99640	0.6
346.05579	1.8
489.11533	0.7
552.96564	0.7
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	607.1668
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	2.4
59.55505	0.4
65.00396	0.6
71.01405	1.4
73.02975	0.8
83.01392	0.8
85.02981	0.4
89.02457	1.0
98.19836	1.0
101.02429	0.7
104.06200	0.4
107.01405	1.2
125.02440	0.4
130.92171	0.5
134.03838	0.6
148.01753	0.6
151.00375	2.8
159.46440	0.4
163.00323	0.9
184.05292	2.0
186.03223	0.5
195.05086	0.7
198.03180	0.7
199.04051	1.3
200.04762	1.6
201.01949	0.4
204.04335	0.6
214.02724	2.5
215.03491	0.8
216.04269	0.9
219.06610	1.0
226.02846	0.9
227.03519	3.0
228.04254	1.7
229.01331	0.7
230.02232	0.5
241.01376	2.4
242.02194	18.0
242.04663	0.9
243.02942	6.4
243.06662	0.7
244.03783	2.1
245.00885	4.2
254.02318	0.7
255.03020	4.0
256.03763	0.9
257.04590	1.7
270.01678	26.2
271.02423	10.0
272.03180	4.5
273.00476	0.7
283.02411	0.5
284.03336	0.5
285.04034	10.2
286.04681	1.1
287.05621	1.1
298.01123	6.5
299.01968	7.9
300.02737	24.9
301.03064	1.3
313.03528	79.9
314.04105	10.5
315.05087	95.4
316.05399	5.8
403.14011	0.8
409.05710	0.5
445.07672	4.3
460.10095	22.9
461.10873	100.0
462.11194	9.2
521.74323	0.5
607.16522	35.8
608.16559	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	606.3046
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	1.1
60.99305	15.8
61.98829	1.0
69.24951	3.0
69.25374	3.2
78.95898	3.1
87.00904	0.9
88.00420	3.3
88.98805	100.0
89.02447	12.0
94.34327	0.6
109.02924	0.7
123.86858	0.7
131.39430	0.6
152.99539	1.3
156.92439	0.7
160.40825	0.7
277.21707	2.2
295.04028	0.6
334.75751	0.6
431.21869	1.2
502.29309	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.3044
Annotation	Unknow
Peak:m/z	Relative Intensity
54.75382	0.4
60.99305	15.3
61.98829	0.7
69.25842	4.4
78.95898	10.1
87.00870	1.2
88.00415	3.5
88.98803	100.0
89.02438	16.8
89.99137	1.2
90.25925	0.3
96.96962	2.3
100.44238	0.4
134.04735	1.3
152.99597	1.4
154.92526	0.4
161.72182	0.4
251.74661	0.5
277.21622	3.7
346.05600	5.0
409.29639	1.3
431.22116	1.3
502.29330	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.1591
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01846	2.1
57.03436	2.4
59.01377	30.4
61.98833	20.9
69.03471	2.5
71.01381	38.7
71.55967	2.3
72.99296	20.4
73.02927	5.0
83.01372	4.8
85.02945	22.4
85.03403	2.5
87.00875	27.4
89.02451	10.7
92.84509	1.7
95.01382	2.6
97.02926	5.6
99.00863	6.8
99.04492	2.5
101.02428	10.8
105.01913	3.1
108.70449	1.6
109.02950	5.0
111.00875	3.2
111.04497	2.0
113.02447	32.1
115.00341	2.7
117.02400	1.5
119.03485	3.6
119.05022	2.3
121.02941	9.4
125.02444	8.9
127.00375	3.0
127.04005	2.8
129.01918	3.2
131.03479	1.8
142.54192	1.8
142.99832	2.8
143.03497	1.9
147.04485	6.0
155.03482	8.4
173.04550	1.7
191.97475	1.8
211.54247	1.6
231.05023	2.2
233.09715	4.8
248.81534	1.6
279.71344	1.6
293.08768	100.0
294.09155	4.4
295.09827	11.2
301.18039	11.9
329.06412	3.0
333.05045	1.9
351.05258	2.1
369.15005	7.7
371.28784	1.9
389.19421	4.2
397.26831	1.6
409.36963	2.1
443.15125	1.9
446.77167	2.0
563.34076	2.2
571.18201	41.5
572.18579	4.7
607.34290	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	607.1667
Annotation	Rhamnetin 3-rhamnosyl-(1->4)-rhamnoside
Peak:m/z	Relative Intensity
57.03439	1.0
59.01108	1.2
59.01378	16.4
61.98814	3.8
69.03445	2.1
71.01383	7.8
71.55169	1.5
72.99288	2.3
73.02927	3.3
75.00851	2.5
82.22790	0.8
83.01382	1.5
85.02947	2.6
87.00859	2.6
88.98802	1.4
89.02448	6.0
96.95998	1.5
99.00877	2.2
101.02438	5.4
107.01382	1.5
113.02417	3.5
115.00333	0.8
119.03487	1.8
135.03001	6.1
149.04507	1.8
149.58972	0.9
150.03209	1.0
151.00343	3.3
161.04465	2.1
177.03984	1.4
179.05580	2.2
179.10623	1.4
183.13324	0.9
184.05251	1.7
193.04948	1.1
195.05022	1.3
199.03876	1.1
200.04747	1.9
211.07419	1.1
214.02637	2.6
223.09729	1.7
226.02699	1.1
227.03554	2.3
227.22568	1.1
228.04224	1.6
241.01451	1.5
242.02226	15.7
243.02975	5.2
243.06535	1.1
244.03490	2.5
245.00937	4.9
255.02776	3.0
256.03616	1.2
270.01682	24.9
271.02429	12.0
272.03195	4.4
272.39749	0.9
285.04077	9.1
286.04419	1.9
287.05566	1.1
298.01239	6.8
299.01898	7.6
300.02707	22.7
301.02988	1.9
313.03528	73.6
314.03998	8.8
315.05087	86.1
316.05396	6.0
359.14984	1.3
407.26172	1.2
445.07800	4.3
460.10040	15.6
461.10876	100.0
462.11435	7.4
514.94952	1.0
565.24854	1.0
607.16400	37.5
607.24573	2.4
608.17401	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	605.2406
Annotation	Trigonosin B
Peak:m/z	Relative Intensity
60.71630	0.2
61.98792	0.3
78.81895	0.2
79.69235	0.3
81.51818	0.2
97.03380	0.3
106.06604	0.6
134.06203	0.3
162.05598	0.4
196.06970	0.3
214.15945	0.3
368.29642	0.3
394.11441	0.3
415.15588	0.9
416.16537	0.8
427.19821	0.4
429.16995	1.0
430.17780	1.8
433.20544	0.3
435.11230	0.3
443.14386	0.5
443.19302	0.8
444.18591	0.4
457.20642	2.8
458.18069	0.4
458.20682	0.4
459.17770	2.7
461.23306	0.6
468.19904	0.5
469.19928	0.5
470.20889	1.1
471.18021	2.4
472.18869	0.7
473.19733	5.5
474.20026	1.1
475.21521	0.7
485.19708	2.3
485.23846	1.5
486.20853	3.7
487.21771	1.4
496.19113	1.0
497.19409	0.5
499.17468	2.9
500.17987	0.4
500.21869	0.3
501.22565	3.0
502.19623	0.6
503.20346	0.4
504.18359	0.3
511.21329	2.7
513.19360	4.1
514.20111	10.1
515.20325	1.4
517.18781	0.8
518.19446	1.6
527.21100	0.4
528.21692	0.8
529.22418	100.0
530.22766	13.3
532.21045	2.3
533.21832	2.3
546.22809	0.4
561.24994	0.8
573.21130	0.9
605.23761	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.2408
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90844	0.2
53.60365	0.3
59.52364	0.3
61.98819	0.4
70.04975	1.3
83.43355	0.3
95.47787	0.3
97.36974	0.3
98.19970	0.4
104.41095	0.3
106.06625	0.4
112.23056	0.3
135.63132	0.3
154.99828	0.3
225.08243	0.3
374.30225	0.3
391.19031	0.3
401.18076	0.4
415.15463	0.5
416.16422	0.7
428.16312	0.7
429.17224	1.0
430.18045	1.4
443.19296	0.8
444.19992	0.3
455.19147	0.3
457.20581	1.9
458.21548	0.4
459.17490	2.5
460.18771	0.5
461.23264	0.4
470.21585	0.7
471.18405	1.0
472.19040	1.3
473.19662	4.2
474.20401	0.4
485.18759	2.2
485.24200	0.8
486.20914	3.5
487.21243	1.2
496.19110	0.5
499.17508	2.5
500.17883	0.6
501.22714	2.7
502.19684	0.8
503.20804	0.4
511.21347	2.4
512.22089	0.6
513.18970	2.1
514.20154	8.7
515.20099	0.8
517.18878	0.8
518.19464	1.8
528.21991	0.7
529.22449	100.0
530.22784	13.8
532.21075	1.5
533.21692	2.0
546.22919	0.5
561.25110	1.0
573.21509	1.1
605.24048	1.6
630.29468	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.2772
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43635	2.2
57.17947	2.7
66.46303	2.7
69.02559	2.3
69.81892	2.3
81.05894	2.2
83.99559	2.7
92.92193	2.8
143.62317	2.5
226.43683	2.6
429.17270	2.8
430.17801	9.2
445.20316	100.0
446.20905	12.7
459.21811	21.4
460.22501	5.5
473.19559	2.5
504.21634	65.7
504.28998	3.8
505.21973	8.7
516.94879	2.9
518.23236	16.3
519.23956	86.6
520.24377	8.5
605.27661	58.8
606.28143	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	605.2768
Annotation	Unknow
Peak:m/z	Relative Intensity
65.79718	0.9
69.68509	4.0
81.65948	0.6
83.51408	0.7
87.04939	0.7
101.71858	0.8
109.20567	0.8
127.43710	0.7
174.62993	0.7
236.58604	1.0
409.69702	0.8
429.17120	1.9
430.17966	8.0
443.18423	1.3
444.19504	2.7
445.20291	100.0
446.20572	10.9
459.21887	20.4
460.22437	8.6
462.16754	1.7
473.19849	1.8
485.19916	1.3
487.21289	2.4
503.20654	1.5
504.21664	56.5
505.21997	5.9
518.23248	12.9
519.23962	84.3
520.24249	12.2
573.25098	3.1
605.27643	61.8
606.27997	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	604.0019
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	25.9
61.98831	100.0
70.00431	1.5
71.53618	2.5
80.90563	1.6
107.19085	1.5
134.96133	6.8
136.94020	23.7
142.42229	1.5
159.01448	9.2
160.01620	5.2
161.01210	3.0
161.98938	8.4
174.99216	3.5
176.98117	7.7
177.98209	4.3
178.95068	68.4
178.97667	3.3
201.02567	2.7
202.02733	2.7
203.02370	1.9
203.99962	4.6
217.00293	9.9
218.00597	1.8
219.00838	1.8
219.97746	24.0
231.38530	1.7
274.85074	2.4
276.84866	2.8
276.97144	2.3
278.95126	2.3
301.02621	2.9
302.02740	4.5
303.02524	5.7
303.99933	16.2
313.52499	1.7
316.86087	4.5
317.00302	2.9
318.00574	4.4
318.85861	3.7
318.99698	4.9
319.97766	9.7
320.96176	67.5
326.81778	1.7
359.01617	2.1
361.99014	6.0
419.93484	2.0
460.87030	5.9
460.93927	2.3
461.86990	6.1
461.94431	7.2
462.87177	2.3
462.97260	5.2
544.00598	9.2
545.00256	3.6
582.53198	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.1432
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77809	1.1
57.03448	1.3
57.81956	1.1
59.01382	12.0
59.02725	1.1
60.66304	1.3
61.98828	5.3
68.99822	3.0
69.03474	2.0
69.91570	6.8
71.01379	11.7
72.99305	18.1
73.02943	7.7
81.17579	1.2
83.01387	3.0
85.02967	6.0
87.00874	17.5
89.02442	3.6
95.01392	2.4
97.02918	2.2
99.00899	3.5
99.04578	1.8
101.02459	4.2
105.01969	7.0
111.00869	7.6
113.02460	6.3
115.00365	2.0
115.05539	2.2
119.03504	1.1
119.04987	2.9
125.02449	1.5
129.01955	7.8
131.73782	1.0
139.00414	1.7
141.01950	6.1
142.99872	1.4
147.04520	54.5
148.04866	1.6
152.68005	1.2
159.02988	52.7
160.03313	1.9
161.00934	4.2
161.05867	1.3
166.33521	1.1
167.01244	1.6
177.00056	1.2
181.04979	1.7
181.07132	1.3
190.91458	1.2
207.11824	4.8
221.09505	1.3
233.09668	4.3
243.05037	5.0
251.10788	11.3
261.41467	1.4
295.09747	100.0
296.10107	9.6
374.59125	1.2
395.25656	1.9
412.36511	1.3
425.26819	1.8
437.12488	3.2
443.14691	3.2
479.13580	1.2
569.16766	4.4
605.20453	1.7
605.29144	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	605.1512
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	0.5
51.99199	0.5
55.01883	4.1
59.01379	6.6
61.42601	0.4
61.61258	0.4
61.98822	1.6
67.01884	1.2
67.77277	0.5
69.03457	100.0
70.03780	1.5
71.01386	5.6
71.55486	0.8
72.99303	4.3
73.02940	1.5
79.01879	4.8
83.01379	0.9
85.02945	3.3
87.00867	1.4
88.98794	0.6
89.02444	2.0
93.03467	0.4
95.01382	3.4
96.96004	2.4
97.02952	20.2
99.00883	26.3
99.04505	0.6
101.02441	1.7
111.00877	0.7
113.02465	2.4
119.03510	0.6
119.05013	2.2
121.02979	0.8
123.00858	1.6
135.03027	0.9
141.01936	7.7
142.99919	0.6
147.04553	0.6
149.02440	1.4
149.04530	0.9
150.03191	2.3
151.30203	0.5
163.04070	0.9
164.04774	1.0
165.05551	2.2
185.00929	66.6
186.01271	1.9
193.01314	0.7
195.06581	1.6
195.08173	2.0
208.03728	0.8
212.70567	0.4
221.09706	1.0
223.06088	1.6
223.11320	0.9
235.06108	0.5
247.93468	0.5
247.96051	0.5
249.09142	0.5
271.38086	0.4
300.50281	0.5
311.09250	1.1
312.09589	0.6
313.09940	0.8
337.56943	0.4
338.05670	0.5
401.11200	0.5
407.26358	0.6
419.22748	0.5
473.14651	2.7
480.75064	0.5
545.27142	0.6
605.17267	1.4
605.26514	1.1
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
59.01394	1.8
60.99301	6.3
65.35732	1.7
69.21505	12.8
69.21912	4.7
87.00851	5.1
88.00396	15.8
88.04021	3.0
88.98814	33.5
89.02446	100.0
133.45222	1.5
220.82130	1.6
427.60101	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	603.302
Annotation	Unknow
Peak:m/z	Relative Intensity
57.16028	2.2
58.25982	2.0
60.99300	8.3
72.52089	2.1
87.00855	2.6
88.00397	14.5
88.98805	49.3
89.02442	100.0
98.19885	7.9
108.13160	2.0
168.14839	2.1
195.48273	1.8
223.26343	2.3
247.29718	2.4
431.40906	1.8
503.54086	2.3
603.19617	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	603.4056
Annotation	3-O-(E)-Caffeoylbetulin
Peak:m/z	Relative Intensity
61.98827	1.8
71.54586	0.9
84.20804	0.8
102.37028	0.8
112.46403	0.7
133.02959	13.0
134.03767	3.8
135.04506	2.5
137.02432	2.5
139.04117	0.8
160.34398	0.8
161.02444	30.2
176.01958	0.8
179.03505	1.2
231.78337	0.8
309.97296	0.8
455.81506	0.8
536.80035	0.8
603.40527	100.0
604.40918	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	603.1355
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	2.6
59.01382	12.7
61.98836	6.0
65.03980	1.7
69.03433	3.1
69.56403	7.9
69.56746	1.0
71.01384	19.7
72.99308	59.5
73.02935	3.5
73.19485	1.2
75.00879	1.2
76.73467	0.9
83.01386	9.8
85.02920	3.1
87.00876	49.6
89.02429	2.5
93.03476	3.3
95.01381	1.3
99.00880	10.9
99.04522	1.1
101.02439	3.2
105.01939	56.4
106.02274	1.2
108.69804	1.1
111.00893	1.7
113.02440	3.8
115.00364	3.7
117.02002	1.2
118.24480	1.2
119.05007	14.9
119.58862	1.1
120.99640	1.6
123.64295	1.2
127.00422	5.6
128.98935	1.2
129.01912	3.4
135.02899	1.2
141.01892	1.2
142.99863	10.6
145.06586	1.3
147.04568	7.7
161.00916	5.0
163.04077	6.4
185.00879	2.6
195.08144	2.6
207.07982	1.2
221.09666	9.3
223.11172	5.7
237.09283	2.0
249.09059	2.7
267.10248	19.8
273.02475	2.6
291.03549	5.5
309.04568	4.2
311.09241	100.0
312.09564	5.6
399.10818	50.1
400.11227	2.9
516.04950	1.2
530.01971	1.4
543.27960	1.5
585.12103	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.3912
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08981	1.4
54.21355	1.3
57.78084	1.4
61.98832	100.0
74.19521	1.4
98.29560	1.5
206.42284	1.5
358.17661	1.4
525.15649	1.6
555.06293	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.1357
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	6.2
56.89352	1.5
59.01380	27.9
61.98831	55.3
69.03458	17.4
69.46060	10.7
71.01006	2.5
71.01382	42.4
72.99307	51.3
73.02947	5.2
83.01391	13.8
85.02963	4.7
85.82441	1.3
87.00879	56.3
89.02444	7.6
93.03458	3.7
95.01389	1.9
96.96009	5.4
97.02960	4.2
99.00882	17.7
101.02443	7.8
101.55003	1.4
105.01951	21.4
108.02208	2.6
109.02932	2.0
113.02438	6.8
115.00374	3.9
119.03640	2.2
119.05026	54.3
120.99638	2.4
121.02859	1.4
121.20550	1.4
127.00389	8.0
129.01944	4.2
131.03491	2.8
134.03758	1.5
141.01939	3.0
142.99863	23.6
143.05016	2.4
147.03247	2.6
147.04530	20.4
149.04605	2.2
160.70863	1.4
163.04001	16.8
173.00922	1.5
185.00920	12.9
187.11357	2.6
203.01959	2.1
205.12354	5.0
221.09721	11.6
222.10236	3.1
223.11261	5.7
231.01378	1.8
233.03015	1.8
235.06168	10.4
237.09164	5.6
249.09129	2.3
267.10272	15.1
273.02563	3.7
291.03653	3.2
311.09238	100.0
312.09695	7.3
323.72256	1.4
355.11804	1.6
363.14236	2.3
379.13486	1.6
389.85080	1.3
399.10855	63.6
400.11172	5.2
403.23364	2.4
405.24997	2.1
451.31900	1.4
455.10071	2.4
575.88434	1.5
585.12701	1.9
603.22742	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	601.2137
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	4.1
61.98808	2.7
69.64328	8.8
71.01370	1.8
72.99331	1.4
96.96069	1.4
98.19891	2.0
113.02548	1.6
115.38613	1.4
116.31870	1.6
121.02935	3.0
122.03738	4.5
137.02426	3.3
149.02457	16.6
150.03229	44.3
151.03687	1.4
164.04747	4.1
165.01932	28.1
165.05576	49.8
166.05803	2.2
180.04276	25.8
181.04796	2.0
195.06625	100.0
195.30405	1.3
196.06897	2.3
239.06850	1.3
243.08720	9.4
301.07260	2.7
316.09607	2.1
331.11938	7.4
331.15317	1.4
391.13904	18.3
392.14182	1.9
439.16080	41.5
440.16241	4.1
515.26501	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
58.56896	2.2
59.01377	71.7
59.75228	2.6
61.06678	2.4
61.98836	16.3
69.38229	22.1
69.38564	4.2
71.01378	8.2
72.99286	2.8
75.00865	2.6
76.85521	2.4
78.95885	4.7
85.02979	2.7
86.49145	2.6
87.00876	5.6
100.60400	2.4
101.02481	3.1
105.01939	9.6
117.44713	2.7
119.05008	4.2
121.02946	4.5
121.09174	2.8
122.03748	9.1
133.02872	3.0
136.04753	2.4
149.02441	40.5
150.02017	3.9
150.03229	63.4
153.01939	3.0
163.03986	6.3
164.04808	16.3
165.05560	88.0
166.02652	2.5
166.05917	4.2
168.04306	6.3
177.45911	2.7
180.04224	3.9
181.05034	3.5
183.06641	16.8
195.06621	100.0
196.07016	3.9
237.09113	3.7
316.09396	10.1
327.08688	8.6
331.11838	76.9
332.12204	6.1
379.13943	59.9
380.14288	7.0
458.64392	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	601.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24224	0.7
51.39806	0.7
53.09374	0.6
59.01381	6.2
61.98829	6.3
62.37607	0.6
69.93451	1.6
69.93862	2.6
71.01369	3.9
72.99272	1.1
85.02930	1.2
87.00873	1.1
88.98823	0.8
89.02444	3.5
93.03419	1.4
93.33881	0.7
96.96045	1.1
98.19963	0.7
101.02457	1.6
105.01930	0.7
113.02436	1.1
119.03521	1.8
121.02960	1.9
122.03738	4.5
123.04476	1.0
133.03026	0.8
134.03825	0.8
135.02890	0.8
137.02440	3.1
141.37561	0.6
143.03545	0.8
149.02426	9.5
150.03226	43.7
151.00410	0.9
151.03680	1.0
153.96909	0.6
162.03192	1.8
164.04785	3.0
165.01936	25.0
165.05566	54.1
165.85858	0.7
166.02341	0.8
166.05905	1.7
167.03345	0.8
175.02515	1.1
177.02014	0.7
177.05542	1.7
179.05591	0.9
180.04286	20.7
181.04836	0.8
183.06561	0.9
195.06619	100.0
196.07008	3.4
232.95232	0.7
243.08771	4.5
331.11829	2.0
354.20291	0.7
379.14005	1.4
439.16046	24.3
440.16510	1.5
565.25006	2.5
601.21979	3.5
601.32086	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28207	1.5
58.12479	1.7
58.53751	1.5
59.01379	11.9
61.98828	10.9
69.78848	4.2
71.01369	7.5
71.25674	1.9
72.99301	2.3
73.24123	1.6
74.69799	1.6
77.70217	2.0
78.95864	1.8
87.00867	4.0
89.02438	8.6
93.03455	2.5
96.96017	8.1
96.96980	1.6
101.02438	2.7
113.02439	2.1
119.03531	4.2
119.05030	2.3
121.02940	3.6
122.03733	4.2
125.02448	5.9
125.13439	1.8
137.02423	4.5
149.02425	17.6
150.03227	43.8
151.03935	2.4
159.51761	1.8
162.03278	1.6
163.03970	3.4
164.04822	3.3
165.01912	32.8
165.04147	3.6
165.05550	57.1
167.03458	2.0
177.01906	6.0
180.04254	23.8
192.04225	3.3
195.06616	100.0
196.06897	2.0
203.63300	1.8
207.06653	6.0
235.54987	1.8
243.06479	2.4
243.08733	20.0
246.05505	2.0
251.06340	1.6
271.09763	1.7
301.07092	2.9
331.11694	8.5
391.13922	19.0
428.59854	1.8
439.16016	37.8
517.56970	1.9
553.19281	2.8
601.21814	3.4
618.45941	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	601.1564
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	3.9
55.82651	0.9
58.81511	1.1
59.01373	3.7
61.98830	2.9
65.03990	1.1
71.01381	38.1
72.99312	16.6
79.33475	1.0
83.01386	21.1
87.00878	67.4
96.95950	1.2
97.02976	1.0
98.19884	2.8
99.00880	15.2
101.02434	1.0
103.05562	1.7
105.01935	20.1
111.00896	1.8
113.02500	1.1
115.00388	2.5
119.05070	1.2
119.93057	1.1
127.00370	17.5
129.01904	1.2
129.07080	1.1
137.09650	1.2
139.00351	2.0
142.99846	12.1
147.04541	6.6
151.65309	1.0
157.01332	1.3
205.10225	2.2
207.10141	1.4
207.11774	7.8
211.02396	1.5
229.57158	1.2
233.09749	1.2
251.10776	14.7
273.02481	3.5
295.09756	100.0
296.10086	7.2
310.15247	0.9
358.20486	1.3
383.11349	45.3
384.11676	3.3
439.10522	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.1577
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.7
61.98829	100.0
69.03437	0.2
69.29647	0.8
69.30072	0.9
71.01382	0.4
85.02938	0.2
87.00892	0.4
88.20658	0.2
89.02444	0.2
97.03011	0.2
98.19924	0.3
101.02514	0.2
105.01933	0.3
109.02103	0.2
119.05067	0.7
120.05370	0.2
129.02028	0.2
143.05078	0.2
147.04700	0.2
153.01982	0.2
157.01472	0.2
163.04073	0.4
173.39217	0.2
181.33978	0.2
193.07307	0.2
267.10135	0.3
268.10706	0.3
281.66068	0.2
311.09372	0.8
312.09555	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.3239
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65656	0.2
54.61726	0.2
56.11887	0.2
56.73891	0.2
57.57106	0.2
59.01378	1.7
61.98830	100.0
62.98539	0.4
63.99243	0.3
69.03446	0.3
69.25225	1.4
69.25629	0.3
70.82696	0.2
71.01381	0.9
72.99317	0.8
73.02947	0.4
75.00871	0.3
83.01374	0.2
85.02940	0.2
87.00883	1.6
89.02471	0.4
93.03471	0.6
96.96019	1.5
99.00891	0.4
101.02460	0.5
105.01965	0.4
111.00921	0.5
113.02445	0.6
115.00373	0.3
115.92036	0.2
116.92879	0.7
117.02027	0.2
119.05023	1.4
120.01859	0.2
120.05356	0.4
127.00370	0.3
129.01961	0.4
136.57774	0.2
139.00392	0.4
143.04997	0.4
144.45517	0.2
147.04501	0.6
148.04840	0.2
157.01479	0.7
163.03998	1.0
164.04375	0.4
166.97595	0.2
175.02440	0.2
195.08162	0.4
196.08475	0.3
221.09807	0.3
222.10304	0.4
223.11264	0.3
224.11668	0.3
239.10693	0.4
249.09352	0.4
250.09628	0.6
251.10904	0.4
267.10349	0.4
268.10577	0.4
294.08560	0.2
295.09787	1.0
296.09970	0.2
311.09280	3.1
312.09561	4.2
313.10107	0.2
375.27963	0.2
619.84479	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.1412
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31506	0.8
55.01871	1.2
57.03427	1.4
59.01379	8.5
61.98832	46.7
67.76881	0.8
67.79226	0.8
68.99545	8.6
69.03450	2.4
69.57886	5.7
71.01390	6.5
72.99310	11.1
73.02956	2.4
74.32676	0.8
75.00858	1.0
83.01369	4.2
85.02959	3.6
87.00885	11.0
89.02454	4.0
93.03465	8.3
95.01382	1.0
96.95998	1.6
96.99297	1.5
97.02921	1.0
98.19901	1.8
99.00874	3.6
101.02434	2.7
106.19179	0.8
109.02934	2.2
111.00879	6.8
112.98560	12.9
113.02444	3.7
115.00382	1.9
115.05489	1.0
117.01958	6.7
117.03401	1.2
119.05033	22.1
120.05387	1.1
121.02937	1.8
125.02464	1.7
127.00378	7.2
129.01915	3.4
131.04964	1.1
133.02936	1.1
135.03014	2.2
137.02475	2.0
139.00394	5.6
141.01920	2.1
143.05006	4.1
147.04526	13.4
150.03270	1.0
153.01875	1.1
154.99908	2.5
157.01439	10.0
163.04004	12.5
165.01891	1.8
169.01436	2.0
175.02419	2.3
181.07219	1.4
183.02974	2.7
195.08147	6.4
199.02470	1.6
205.10272	2.3
207.11778	2.1
211.02435	4.6
217.05124	0.9
219.08144	1.9
221.09766	6.6
222.10252	1.2
223.11351	4.3
229.03470	1.5
237.09267	1.2
249.09195	9.9
251.10783	3.0
267.10242	12.3
293.08237	3.7
295.06390	1.4
295.09747	26.2
296.09979	2.8
305.05081	1.7
311.09253	100.0
312.09604	6.7
353.10440	2.5
401.25430	1.8
413.12469	4.4
599.30316	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.2714
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	1.6
61.98828	100.0
63.37819	0.2
71.01378	0.6
73.02948	0.3
74.50320	0.2
74.71951	0.2
75.00879	0.2
83.01395	0.3
85.02975	0.2
87.00896	0.5
88.70934	0.2
88.98832	0.2
97.02998	0.3
99.00880	0.2
101.02467	0.5
111.00884	0.5
112.98830	0.2
113.02457	0.3
119.03568	0.2
119.05037	2.1
120.05370	0.8
123.00926	0.3
125.02457	0.4
127.00378	0.5
133.38437	0.2
135.02950	0.3
139.00421	0.4
153.01958	0.4
163.04039	0.9
163.43279	0.2
164.04398	0.4
165.01950	0.3
166.99825	0.6
169.01407	0.3
211.02522	0.3
237.16119	0.3
250.54332	0.3
269.03064	0.3
287.04071	0.3
327.08871	0.8
328.08987	1.2
478.14835	0.3
481.26688	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.308
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46824	0.2
59.01119	0.3
59.01369	1.6
61.98830	100.0
65.03942	0.3
69.03420	0.2
69.53225	1.6
71.01383	1.8
72.99319	1.4
73.02961	0.3
75.00876	0.3
78.57935	0.2
83.01395	0.5
85.02948	0.5
87.00879	1.8
89.02447	0.5
93.03471	1.7
95.01354	0.2
96.96016	3.3
96.99356	0.3
99.00879	0.6
101.02464	0.3
103.05611	0.3
109.02943	0.3
111.00906	1.0
113.02470	0.3
115.00359	0.3
115.05594	0.2
117.01966	0.8
119.05026	2.6
125.02470	0.4
127.00393	0.7
129.01982	0.6
135.02991	0.4
135.15015	0.2
139.00423	0.5
141.01985	0.3
143.05084	0.6
147.04526	1.4
151.00432	0.2
157.01457	1.0
163.04050	1.4
165.02034	0.3
169.01544	0.3
175.02483	0.5
181.01466	0.2
188.10880	0.2
195.08240	0.9
207.11938	0.4
211.02611	0.7
212.02786	0.2
221.09821	0.8
223.11305	0.6
229.03497	0.3
249.09303	1.5
251.10814	0.5
252.11139	0.3
267.10361	0.8
293.08270	0.5
295.09756	3.3
296.10153	1.0
311.09244	12.8
311.38376	0.3
328.09122	0.4
413.12750	0.3
450.28177	0.3
460.67554	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.3867
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.6
57.03468	0.5
59.01380	13.7
61.98834	21.0
68.99837	0.7
69.03460	1.5
69.71828	0.9
69.72244	2.3
71.01389	9.2
72.99307	2.9
73.02948	3.5
75.00875	18.8
80.38723	0.5
81.03458	13.7
83.01389	2.6
83.05032	38.7
84.05470	0.5
85.02959	3.8
87.00887	3.8
88.98821	0.7
89.02460	3.0
93.03487	1.4
95.01392	1.0
96.96036	1.3
97.02975	1.3
99.00868	2.2
100.07693	6.1
101.02438	5.6
108.02214	0.5
108.04588	0.6
109.02974	2.5
111.00900	2.2
111.04546	0.5
113.02457	4.1
113.03102	0.5
115.00424	1.8
117.07169	0.5
119.03526	1.5
119.04996	3.5
120.99617	0.4
121.02962	0.9
123.00889	0.5
123.04581	1.1
125.02488	1.2
126.05611	0.9
127.00379	1.7
127.04076	0.5
129.01967	1.1
131.03574	0.5
133.06645	0.5
134.03748	0.5
135.04538	5.7
135.05540	0.6
137.02379	1.0
139.00420	2.1
141.01984	0.7
143.03534	0.5
143.05008	0.5
147.04494	2.3
149.02469	0.7
151.00464	0.5
151.04111	0.6
153.01988	1.0
154.99916	0.6
157.01433	1.4
159.03029	0.6
161.04602	1.4
163.04070	1.9
165.01979	0.7
166.99872	0.6
169.01422	0.8
173.06119	1.8
175.02518	0.9
179.03534	2.9
181.01503	0.6
199.18161	6.7
211.02534	1.6
211.07651	6.4
215.07104	0.6
225.16096	8.0
227.11732	0.5
229.03883	0.6
230.09615	0.6
231.10213	3.5
237.09369	1.0
238.09880	0.5
239.10735	5.7
243.17128	20.5
244.17447	0.7
265.08868	0.9
269.03137	0.8
269.15176	0.9
273.21014	0.5
283.09949	1.3
287.04239	1.4
287.18735	1.7
295.09894	0.6
302.03381	0.8
309.07822	0.5
309.21982	1.0
311.09372	1.1
327.08713	11.5
327.12231	0.9
328.09320	1.4
341.06946	1.2
353.20813	6.4
393.15781	1.9
435.11310	0.6
435.26108	1.8
451.33017	2.3
465.27042	0.9
469.33926	13.0
470.34592	1.5
537.29553	1.5
553.40070	0.7
555.30212	0.9
579.37921	3.1
583.14954	0.6
597.39014	100.0
598.39203	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	598.2717
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.3
61.98829	100.0
62.65033	0.3
69.98889	0.9
71.01396	0.6
72.99327	0.4
75.00903	0.3
75.82007	0.3
83.01382	0.3
85.02977	0.4
89.02447	0.4
93.99396	0.2
97.02972	0.3
99.04470	0.3
101.02445	0.4
109.03001	0.3
109.34222	0.2
111.00877	0.3
113.02467	0.3
119.05017	1.6
120.05392	0.7
125.02409	0.4
135.03075	0.3
150.03204	0.3
151.00345	0.3
153.01978	0.3
153.15169	0.3
157.01364	0.3
163.03969	0.7
166.99796	0.5
238.50932	0.3
242.76691	0.3
270.03781	0.2
327.08902	0.6
328.09039	0.7
340.31863	0.3
548.85382	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.3045
Annotation	Cinnafragrin D
Peak:m/z	Relative Intensity
52.49995	0.5
59.01361	0.8
61.98822	0.7
62.02501	0.4
71.51262	0.7
78.95902	59.7
96.96947	6.9
127.08678	0.5
141.10034	0.5
147.88190	0.5
150.97987	1.0
152.99580	100.0
153.99945	1.1
171.00664	3.2
192.20009	0.5
225.01772	0.9
243.02722	8.3
244.54900	0.5
279.23267	14.5
280.23694	0.7
317.06430	13.3
318.06857	0.8
380.65262	0.5
433.23505	4.0
597.30426	36.6
598.30609	4.0
620.19470	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.3049
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58610	0.8
61.98827	1.0
62.56401	0.7
69.87142	2.2
69.87537	1.7
75.00879	1.4
78.95906	76.1
96.96963	7.3
98.19850	1.0
101.66484	0.9
150.98019	1.3
152.99588	100.0
168.06808	0.7
171.00635	1.8
228.07428	0.8
243.02751	9.5
265.53055	0.8
279.23282	15.2
280.23807	0.9
295.09790	1.1
299.37424	0.8
317.06396	1.6
335.07269	0.9
338.34650	0.8
415.22485	3.3
422.12595	1.0
433.23630	8.9
597.30469	51.1
598.30713	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	597.1827
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06884	1.3
57.03440	1.6
59.01374	10.4
61.98840	7.2
62.66080	1.3
69.59248	4.7
69.59673	4.4
71.01380	9.8
72.14858	1.6
72.99322	2.0
73.02963	5.7
75.00880	1.8
77.34125	1.5
77.37191	1.5
80.88652	1.5
83.01396	4.3
85.02934	3.7
87.00874	28.0
89.02425	2.8
93.03468	4.8
95.01328	1.7
97.02944	3.1
99.00874	5.4
100.01691	2.8
101.02430	3.4
105.01952	1.6
109.02948	2.8
111.00880	16.4
112.98804	4.8
113.02463	2.2
119.05050	2.9
121.02970	5.7
122.03744	12.7
123.00884	9.1
123.04549	2.9
125.02421	1.9
127.04028	2.3
131.03522	2.6
133.02980	2.9
134.03706	1.8
135.04489	2.6
136.01688	2.6
137.02408	2.8
138.03110	1.7
142.99843	4.8
147.03140	1.4
147.04523	1.7
149.02440	28.3
150.03229	95.3
151.00378	3.7
151.04039	9.5
161.02420	4.5
161.04530	1.7
163.04022	6.4
164.04755	10.8
165.05573	100.0
166.02744	6.4
166.05962	2.1
167.03537	1.6
173.00966	8.1
173.02318	2.5
174.01701	2.5
175.04030	2.3
176.04787	5.4
177.02000	1.7
178.06319	4.5
179.03531	5.7
179.07126	6.2
180.04274	8.6
181.05046	9.1
190.02760	2.7
190.06358	1.8
191.03506	6.0
191.07188	4.2
193.08652	2.7
194.05875	6.4
195.06621	46.2
203.03403	2.7
205.04996	3.0
206.05836	3.7
207.06551	2.4
209.08199	7.8
211.57547	1.6
219.03024	2.8
221.08160	8.8
234.05424	3.1
247.02490	4.8
249.03738	1.7
249.07742	3.8
255.41394	1.5
261.04053	4.9
262.04904	8.0
264.06403	6.2
265.07065	4.9
271.02435	2.3
276.06427	3.6
277.07166	11.8
277.45132	1.5
291.08594	2.7
299.02029	1.9
300.02463	1.8
301.02795	2.0
322.07040	2.0
328.97647	2.8
337.09283	36.7
338.09601	2.3
369.13425	11.3
386.09784	1.8
413.12384	5.8
443.13464	3.1
461.14536	33.9
462.14758	3.7
473.14413	4.5
485.14252	2.7
491.15759	2.9
503.15582	2.0
521.16376	3.5
531.15192	2.0
533.16687	6.8
579.17200	17.7
580.17511	2.3
597.18274	87.6
598.18774	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
54.86252	1.3
57.03430	1.6
59.01379	14.0
61.98833	7.0
69.47868	8.9
71.01382	12.0
72.99297	2.4
73.02946	3.4
83.01387	5.3
85.02974	3.8
87.00882	34.0
89.02422	7.9
93.03448	2.6
97.02962	2.1
98.19847	1.4
99.00887	4.1
100.01656	3.4
101.02440	8.4
104.74554	1.3
106.72425	1.5
109.02927	2.4
111.00877	31.7
113.02452	2.7
119.05046	2.7
121.02956	4.8
122.03752	12.9
123.04505	3.4
125.02418	2.9
129.01909	1.9
131.03477	5.3
134.03767	1.8
135.04544	2.5
136.01669	1.8
137.02455	2.6
138.03218	2.0
139.03920	1.4
147.03030	2.9
149.02448	24.2
149.04532	6.2
150.03226	85.7
151.00345	2.3
151.04018	9.8
152.01155	1.9
161.02417	3.1
162.03238	1.6
163.03993	2.5
164.04803	15.5
165.05565	78.1
166.02710	4.5
166.05885	3.8
176.04820	2.4
177.01897	2.2
179.03502	4.6
179.07126	10.6
180.04298	6.6
181.04994	7.3
191.01900	1.6
191.05563	3.2
193.08572	3.0
194.01767	1.5
194.05750	4.5
195.06628	31.4
205.05006	3.2
209.08162	8.6
219.06468	1.9
221.04604	1.7
231.03075	1.8
234.05304	2.7
237.07521	1.6
246.05438	1.6
249.04028	3.1
249.07692	6.4
250.04707	2.1
264.06323	14.3
265.07150	7.9
276.06689	1.6
277.07239	2.3
279.08875	2.2
285.04141	2.7
291.08804	2.4
337.09274	11.3
357.08960	3.2
357.13113	3.2
387.10025	1.6
413.12390	5.6
417.15427	1.8
449.12082	1.8
461.14526	53.4
462.15158	3.8
473.14771	2.4
477.12643	1.7
487.15628	1.9
505.17126	2.8
517.17688	2.3
521.16699	5.0
537.25494	10.5
560.43524	1.4
579.17303	9.6
597.18219	100.0
598.18378	7.6
601.14099	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	0.8
57.03448	1.2
59.01364	4.4
61.98818	4.8
64.08250	0.8
68.99821	1.3
69.03459	1.9
71.01376	4.2
71.31795	1.1
71.32129	0.7
72.99348	0.6
73.02935	1.8
75.00873	1.2
79.01896	0.9
81.03464	9.2
83.01379	6.6
83.05040	0.8
85.02939	3.7
85.60410	0.6
89.02448	1.7
90.70396	0.7
92.14569	0.6
93.03456	6.8
94.11755	0.6
95.01377	2.7
95.05026	6.2
97.02943	5.0
99.00889	2.0
99.04517	2.7
101.02438	1.9
107.05025	2.2
109.02944	4.5
111.00880	1.2
111.04505	3.2
113.02446	2.3
115.00338	0.9
119.05029	10.4
121.02953	4.5
121.06595	1.3
123.00869	1.3
123.04524	17.6
125.02443	13.8
125.06085	0.8
133.01416	1.6
135.04530	5.1
137.02441	5.4
137.06058	8.2
139.00391	0.8
139.04012	10.0
141.05560	0.8
143.05054	1.4
145.02841	1.4
147.04549	4.1
149.02415	2.2
149.06113	1.9
151.03992	3.5
153.05545	1.3
161.06076	1.4
163.04007	5.6
163.07674	1.7
164.04851	0.8
165.01920	3.4
165.05551	8.4
167.03488	28.8
168.03806	1.1
177.05609	1.9
179.03476	10.3
179.07076	1.4
180.04202	1.4
181.05045	2.4
189.05565	7.8
191.03494	2.7
193.05116	3.6
197.04568	5.0
207.02899	1.6
207.06502	1.8
209.04546	29.2
210.04851	0.8
211.02414	0.7
219.02942	1.0
219.06760	0.8
221.04535	6.5
223.06142	1.7
229.08711	1.0
233.04578	1.7
235.05984	1.0
237.09343	0.9
239.05597	11.9
239.10768	0.9
251.05609	4.4
263.05573	2.6
269.06668	2.2
273.07654	4.0
281.06723	1.7
285.07648	1.5
299.09140	0.9
315.05432	0.9
315.08749	16.0
316.08868	0.8
327.08752	13.4
328.09030	1.1
341.10175	1.7
345.09766	6.5
357.09769	100.0
358.10059	8.2
369.09833	4.4
371.11386	0.9
387.10831	78.2
388.11230	7.1
399.10870	5.1
400.11243	0.8
417.11890	25.5
418.12311	2.1
429.11893	3.0
441.12097	1.5
447.12988	1.0
459.12909	9.8
460.13235	1.3
461.50940	0.8
471.13440	1.2
477.14038	18.7
478.14221	2.1
489.14078	7.3
507.15164	1.8
561.16669	1.1
579.17188	1.6
597.18365	9.7
597.34961	6.7
598.18823	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83865	0.5
55.01883	0.7
59.01353	0.8
59.40165	0.6
61.98827	1.3
64.94208	0.6
66.96548	0.6
68.99810	2.2
69.03433	0.7
69.22728	0.8
69.23067	5.8
71.01371	4.4
72.99310	1.5
73.02947	1.2
83.01381	2.5
85.02953	1.4
87.00872	9.7
91.71754	0.5
95.01394	1.2
96.99302	4.9
97.02955	1.1
98.64900	0.5
99.00877	3.0
103.05544	1.4
109.02929	0.8
111.00881	1.8
113.02437	1.2
115.05531	3.6
117.03497	1.0
125.02426	1.3
127.00375	31.5
129.01926	3.3
131.05019	1.0
137.02412	0.7
139.00359	2.2
141.01917	2.1
141.16145	0.6
147.04524	19.0
153.01964	1.3
157.01430	8.0
165.01967	0.9
169.01381	3.6
175.02408	1.1
181.01396	1.7
183.02997	0.7
191.08669	0.6
199.02478	8.1
205.10260	2.7
207.11765	1.7
211.02483	6.3
229.03510	6.9
233.09702	12.2
234.10135	1.0
240.90881	0.5
251.10828	5.1
252.34288	0.6
257.02982	0.7
277.08609	4.4
287.04227	1.4
295.09744	100.0
296.10059	5.2
319.06689	2.6
479.82404	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52990	0.5
55.01870	1.8
68.99820	2.7
69.03448	1.4
71.01383	7.3
72.99289	0.9
73.02937	1.8
75.00877	0.6
75.81486	0.5
76.29997	0.5
83.01383	3.4
85.02957	2.2
87.00874	13.9
91.05551	0.7
95.01382	0.7
96.99310	4.6
97.02984	1.2
99.00887	5.7
101.02441	1.2
101.38547	0.5
102.78328	0.5
103.05529	2.4
109.02954	1.0
111.00886	3.7
112.64208	0.5
113.02448	1.8
115.00378	0.9
115.05557	4.5
119.05013	1.1
123.00880	1.3
125.02430	1.9
125.10528	0.5
127.00376	41.1
129.01935	5.9
133.96523	0.5
136.17690	0.5
137.48102	0.5
139.00381	2.7
141.01938	3.3
147.04521	30.4
148.04840	0.8
153.01970	0.7
156.67908	0.5
157.00140	0.9
157.01416	11.6
159.02977	0.8
165.01994	0.7
169.01453	4.9
173.54803	0.5
175.02434	2.0
176.28595	0.7
181.01405	2.4
183.03014	1.0
191.08766	0.6
199.02469	9.3
199.09570	0.5
202.18152	0.6
205.10205	2.6
207.11801	3.1
211.02473	7.7
229.03523	8.9
233.09715	12.3
234.10036	0.8
251.10712	6.8
252.11247	0.6
257.02802	0.6
277.08612	3.9
287.04037	1.8
295.09747	100.0
296.10074	7.7
319.06662	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.1614
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05302	0.4
59.01338	0.7
68.99810	2.3
69.03452	0.8
69.21548	0.4
69.21857	4.4
71.01370	3.8
72.99300	1.5
73.02945	0.7
73.94046	0.5
81.03448	0.7
83.01379	1.5
85.02963	1.3
87.00877	9.8
87.01381	1.0
92.17953	0.5
92.64017	0.5
93.03442	0.6
95.01367	0.7
96.99311	4.0
97.02942	0.9
99.00871	3.6
99.58131	0.5
103.05556	1.4
107.25310	0.5
109.02935	0.5
111.00871	2.2
113.02447	1.5
115.05521	3.7
117.03466	0.9
123.00912	0.8
125.02435	0.9
127.00378	27.1
128.00694	0.6
129.01965	3.9
137.02419	0.7
139.00360	1.7
141.01964	2.4
147.04524	21.7
148.04851	0.7
153.01913	1.1
157.01416	7.0
162.64444	0.5
165.01910	0.7
167.36107	0.5
169.01408	4.0
175.02499	1.0
181.01431	1.4
183.02936	1.2
187.72728	0.5
199.02483	8.5
205.10214	1.6
207.11827	2.0
211.02521	6.2
229.03513	8.2
233.09703	11.5
234.10049	0.6
239.01823	0.5
251.10793	4.2
257.03088	1.2
277.08731	3.8
287.04153	2.2
295.09750	100.0
296.10086	6.2
319.06622	2.2
332.56134	0.5
370.06790	0.5
401.68530	0.5
414.83890	0.5
468.95856	0.5
622.20148	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.1248
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	7.0
57.03452	3.4
59.01104	2.5
59.01381	31.6
61.98832	60.9
67.01895	4.7
68.99809	4.9
69.03458	6.3
71.01385	29.5
71.55085	1.9
72.99315	9.7
73.02956	7.0
75.00882	5.6
79.01900	2.5
81.03453	5.9
83.01397	12.5
83.05039	2.8
85.02965	11.8
87.00880	16.7
88.74803	1.5
88.98788	2.9
89.02452	14.8
90.55363	1.5
93.03473	11.0
95.01408	9.3
95.05038	3.2
96.96016	2.8
96.99319	1.9
97.02958	8.3
99.00891	14.4
99.04547	3.4
101.02447	15.1
107.05028	2.6
108.02163	3.5
109.02947	10.8
111.00887	20.4
111.04546	4.0
112.98796	2.0
113.02443	11.9
115.00385	4.3
117.01954	2.4
117.03468	3.8
119.03558	5.8
119.05033	100.0
120.05424	2.5
121.02979	9.3
123.00887	9.4
123.04530	4.0
124.98786	1.8
125.02431	13.0
127.00373	13.1
127.04049	4.4
129.01921	6.0
130.06335	1.8
132.05836	2.1
134.03720	1.6
135.02998	3.7
135.04549	4.4
137.02457	10.4
139.00383	20.9
139.04037	4.2
141.01938	7.7
143.05025	4.7
145.01422	2.1
145.02988	3.4
145.06609	1.8
147.04543	1.9
149.02431	7.1
150.03226	2.0
151.00360	8.3
151.04034	4.9
152.01093	2.3
153.01947	14.9
154.99867	6.0
157.01422	6.1
161.02419	1.8
161.04599	2.9
161.06065	3.0
163.04005	47.7
165.01936	7.1
165.05560	2.6
166.02725	9.2
166.99879	31.1
167.03482	5.2
169.01443	8.8
177.01947	2.1
178.99945	2.8
179.03490	4.2
179.05659	1.7
181.01462	5.8
181.05049	19.5
182.02168	1.9
183.02988	5.4
185.92323	1.6
190.06252	1.8
193.01399	4.4
193.05043	2.0
194.40581	1.6
195.02995	3.0
195.06581	2.5
197.00841	2.1
197.04518	1.9
205.05212	3.0
205.08676	4.2
207.02937	2.0
207.13847	1.7
209.00903	3.1
210.12294	1.7
211.02481	25.9
221.00864	2.4
223.02451	3.6
223.07632	4.1
227.07047	1.7
235.07442	1.7
237.09235	8.4
239.10785	4.4
251.01968	4.6
261.99304	1.7
265.08655	3.9
269.03003	9.8
269.13940	8.3
271.02438	2.0
283.09875	8.3
287.04135	16.1
300.02640	3.2
301.03070	3.4
302.03369	3.4
327.08743	71.0
328.09174	5.6
346.80038	1.6
387.14389	7.3
405.15707	2.3
433.07925	1.7
449.20090	11.4
477.13480	3.6
479.24951	7.3
536.27783	1.9
597.12756	14.8
597.21777	2.8
597.29584	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	595.3125
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
60.01705	0.8
61.18951	0.3
61.98830	22.3
63.02401	0.3
63.96241	0.3
69.03467	0.4
70.12399	0.3
71.01387	2.1
71.55933	0.4
71.56346	0.4
72.99326	1.1
73.02942	1.2
75.59981	0.3
83.01389	0.8
85.02973	0.8
86.94939	0.3
87.00887	0.7
89.02475	1.3
96.96027	0.9
97.02966	0.3
99.00941	0.4
99.04503	0.4
101.02472	1.2
104.46568	0.3
105.01892	0.4
107.01419	0.8
108.02183	0.4
109.02962	0.4
113.02454	1.0
121.02986	0.6
125.02430	0.7
135.03035	0.4
137.02449	0.6
147.04532	0.6
148.01653	0.4
151.00391	4.4
152.01103	0.5
154.59892	0.3
156.07841	0.3
164.01227	0.3
165.01909	0.8
178.99876	2.1
189.05702	0.3
209.98950	0.3
227.03516	0.7
235.07639	0.4
237.09216	0.5
243.02953	2.7
251.07043	0.4
254.02135	0.7
254.09499	0.4
255.02974	6.4
256.03333	1.0
257.03442	0.5
271.02469	15.3
272.02890	1.5
284.03027	1.0
285.03741	0.9
286.04102	0.9
287.04477	0.4
295.09741	0.5
299.01941	2.2
300.02744	25.9
301.03320	4.6
352.05927	0.3
370.43918	0.3
373.26016	1.5
387.08624	0.7
405.09464	0.4
431.07635	4.2
432.08398	0.5
445.08426	0.4
449.08948	0.6
535.30188	0.4
551.15790	0.5
577.13226	0.7
595.13287	17.0
595.33551	0.7
596.13861	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	595.2974
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	2.5
57.03458	4.2
59.01381	100.0
61.98827	4.4
69.54131	11.4
70.09689	1.9
71.01011	2.4
71.01386	35.6
71.05054	2.0
72.99297	3.0
73.02937	9.4
76.67537	1.6
83.01365	5.4
84.65614	1.7
85.02962	15.7
87.00898	3.5
89.02450	12.0
95.01377	3.5
96.95995	2.8
99.00857	4.8
99.25507	1.7
101.02436	23.5
108.02163	2.3
113.02460	17.7
116.40196	1.8
119.03482	4.4
121.02954	21.1
125.02428	4.2
129.01941	1.8
134.03687	2.3
135.00787	2.0
143.03490	4.8
150.03186	2.9
150.93195	1.7
151.00394	3.3
161.04541	9.5
165.04037	4.1
165.05502	3.0
176.04851	1.8
178.99875	3.6
179.05629	3.0
191.09032	1.8
193.05066	5.0
195.06656	2.3
209.04561	18.0
227.03593	2.6
243.02933	6.4
244.73796	2.0
255.02953	20.5
256.03406	2.8
267.12225	2.0
271.02481	43.9
272.03073	3.8
283.02313	3.7
284.02795	2.7
285.03769	6.7
286.04248	5.6
287.04568	3.9
299.01843	2.8
300.02744	79.7
301.03421	14.4
335.09445	1.9
373.22089	8.4
433.10556	1.9
433.24902	1.7
449.10181	2.0
477.23605	3.1
525.67688	1.9
535.27606	80.4
536.27924	11.4
595.12976	41.1
595.21808	3.2
595.29626	3.4
596.13574	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	595.2889
Annotation	Neobonaspectin B
Peak:m/z	Relative Intensity
69.23760	1.3
69.24101	8.5
74.02325	0.7
78.95905	61.3
87.44513	0.8
96.96966	11.3
101.16585	1.0
150.98087	1.2
152.99590	94.8
153.99904	1.5
171.00650	3.3
175.68048	0.9
175.73842	0.9
197.29497	1.1
213.88879	0.9
219.04523	0.8
223.00122	12.2
240.98712	1.4
241.01184	22.4
259.02225	2.2
279.23282	65.6
280.23596	3.1
292.24380	0.9
315.04852	16.6
323.62286	0.9
333.06021	1.5
366.42236	0.8
494.94333	0.8
595.28894	100.0
596.29181	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	595.2974
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01847	2.5
57.03428	2.2
58.00568	1.0
59.01379	85.8
61.98829	7.9
69.98885	4.4
71.01382	33.5
72.99281	1.8
73.02952	10.5
75.00845	2.2
83.01395	6.4
85.02454	1.0
85.02944	13.8
87.00864	2.3
88.98797	1.4
89.02431	9.5
93.03419	0.9
95.01355	2.9
96.95975	0.9
97.02914	1.4
99.00873	5.8
101.02441	19.9
102.98562	1.1
107.01381	1.9
111.00858	2.1
113.02446	11.6
119.03483	4.3
119.04963	2.3
121.02915	1.6
123.00764	1.2
125.02366	2.2
129.01865	1.0
131.03342	1.1
134.03658	1.0
135.02945	1.3
135.04388	1.2
136.01624	1.1
139.00301	1.5
139.03973	1.4
143.03407	1.8
145.02881	1.1
147.04407	1.4
148.01552	0.8
149.04457	1.0
150.03160	1.0
151.00276	3.6
159.02864	2.5
161.04555	10.6
163.03874	0.9
164.01067	0.9
165.01904	0.9
165.05443	0.9
166.02632	1.1
178.99751	3.4
179.05510	2.4
180.71341	0.9
191.03406	1.3
193.04854	1.9
194.05200	0.9
209.04504	1.2
227.03380	1.9
235.02213	1.0
243.02975	6.4
244.03526	1.1
254.02057	1.9
255.02989	11.8
256.03159	1.5
257.41534	0.9
271.02490	28.8
271.05499	2.0
272.02814	1.9
284.02744	1.5
285.03143	1.5
286.04001	1.2
299.01733	1.5
300.02731	48.4
301.03348	7.7
302.30847	1.0
313.07016	1.8
355.07849	3.3
358.10403	1.7
373.12991	4.6
373.22287	7.1
385.09592	4.4
403.09732	1.2
415.10233	2.1
418.13254	1.1
433.15143	19.3
447.18057	1.4
449.09454	2.0
475.12302	1.2
477.22888	2.4
505.12909	2.8
535.27545	100.0
536.27899	8.3
565.15845	1.0
595.12622	29.7
595.19611	2.4
595.28613	3.7
596.13025	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1901
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	92.3
61.98830	10.3
69.34921	28.8
71.01383	38.2
72.99305	4.3
73.02956	40.0
75.00947	3.2
81.03466	7.7
83.01385	17.1
85.02941	6.8
87.00870	4.4
88.98751	3.6
89.02443	12.7
93.03464	9.3
95.01382	4.4
95.83936	3.3
96.96024	4.8
97.02920	9.8
98.19904	7.3
99.00910	6.1
99.12504	3.0
101.02438	44.0
107.01398	10.8
107.05047	4.8
108.02194	7.9
109.02950	11.6
113.02441	12.3
116.92864	6.6
119.03506	2.8
119.05024	54.4
121.02925	7.9
123.04495	7.3
125.02442	44.0
126.02822	5.0
131.03500	5.5
135.04535	10.3
137.02446	13.8
137.06114	3.4
139.04033	11.0
143.03505	4.6
143.05058	7.5
144.05472	3.1
145.02925	12.5
146.03790	4.6
149.02414	10.6
149.04541	8.3
149.06056	9.9
150.03244	6.7
151.00305	9.0
151.03961	10.0
152.01138	3.8
153.95700	3.5
155.03471	3.4
159.04497	11.0
161.02452	6.1
161.04553	13.0
161.06039	7.3
162.03146	3.7
163.00351	4.4
163.03979	9.3
165.01936	10.3
165.05557	9.3
167.03499	14.0
177.01996	7.3
177.05560	10.1
178.02397	4.5
179.03471	8.4
187.03970	22.8
190.02647	8.9
191.03497	7.9
193.01410	14.3
197.04562	5.9
199.07661	5.2
205.01379	10.2
205.03506	6.8
205.05096	58.1
207.03041	3.8
209.04451	5.7
219.02916	4.5
223.02550	4.7
223.06114	51.7
227.07237	4.3
235.02448	15.8
239.05540	4.3
255.02963	7.1
256.03391	5.8
263.09225	5.3
265.03497	8.9
271.02481	12.5
271.06122	7.4
281.10361	23.7
284.03323	5.5
299.01993	11.6
299.11365	40.3
300.02771	9.3
301.03348	4.4
305.06870	4.6
306.07101	5.4
307.07071	5.4
313.07159	23.4
325.07166	12.2
343.08231	7.3
355.08179	98.0
356.08514	8.8
367.08069	4.9
385.09271	80.1
386.09796	3.9
397.09143	5.8
415.10321	23.6
425.07751	10.1
427.09720	5.2
433.15161	6.5
447.11520	4.3
457.11435	11.0
475.12485	38.7
487.12613	8.7
505.13049	15.5
577.15381	7.6
595.16620	100.0
596.16766	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	595.1302
Annotation	Peltatoside
Peak:m/z	Relative Intensity
59.01365	0.7
65.00311	1.1
65.87077	0.6
69.53407	3.8
83.01372	0.8
105.55268	0.6
107.01414	2.3
108.02163	3.4
135.00908	1.1
148.01683	2.3
151.00397	6.1
163.00406	1.9
164.01123	1.2
178.99847	4.7
199.04036	1.3
203.03465	0.7
211.03915	1.2
215.03458	1.1
216.04192	1.1
225.02057	0.7
226.02771	1.7
227.03516	4.5
243.02954	16.4
244.03535	1.0
248.88101	0.6
254.02197	2.4
255.02977	39.1
256.03275	2.2
271.02466	91.8
272.02896	5.5
273.03934	0.7
299.01996	2.7
300.02747	100.0
301.03357	12.3
357.13712	0.6
445.07828	0.9
463.09280	0.9
595.13037	81.4
596.13269	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	595.1305
Annotation	Peltatoside
Peak:m/z	Relative Intensity
57.00038	0.5
59.01379	5.4
61.98857	1.8
63.02437	0.6
65.00353	1.1
69.03445	0.6
71.01388	3.8
71.55305	0.7
72.02848	0.5
72.99340	1.1
73.02984	0.6
73.26336	0.5
81.03493	0.9
83.01427	1.2
85.02974	1.1
87.00895	1.2
89.02443	3.5
93.03497	0.5
97.06615	2.0
101.02479	1.9
107.01426	2.0
109.02953	1.2
113.02466	1.3
119.03572	0.8
119.05037	4.3
121.03002	1.7
123.00918	1.0
123.04578	1.1
125.02457	5.1
125.06094	0.5
126.02822	0.8
129.02005	0.5
133.02953	0.7
135.03009	0.6
137.02502	0.9
139.04097	0.5
141.05630	0.6
143.04959	0.6
143.83653	0.5
145.02972	0.8
147.00891	0.7
147.04578	0.7
149.02490	1.2
149.04562	1.0
150.03151	0.7
151.00375	6.7
151.04039	0.6
161.04703	0.7
163.00391	0.9
163.41852	0.4
165.01952	1.2
165.04077	3.1
165.05534	0.9
166.23813	0.5
167.03535	0.8
171.04549	1.1
175.00383	0.6
175.04115	0.5
177.02008	1.2
178.99883	1.3
179.03423	0.9
183.04608	0.5
187.03996	1.5
191.03622	0.8
193.01433	0.6
199.03966	3.5
201.01990	0.7
203.03531	0.8
205.01726	0.8
205.03476	2.6
215.03494	1.8
223.13423	0.9
225.02083	0.6
226.02721	1.2
227.03568	2.9
235.02538	1.2
243.02954	4.4
254.02290	0.5
255.03029	3.0
256.03494	0.6
256.41544	0.5
257.04068	0.5
261.04120	0.5
271.02472	55.1
272.02905	3.3
272.08887	0.8
273.04056	0.8
273.09399	0.8
283.02609	0.6
283.12000	1.0
285.03748	1.9
286.04318	0.8
287.04889	0.9
299.01962	100.0
300.02628	16.8
301.03534	31.0
302.03860	2.0
313.03644	0.9
313.07254	1.6
343.04437	0.7
343.08267	0.7
355.08240	6.5
385.09286	5.4
415.10291	1.8
427.09750	0.6
433.07678	14.8
433.14554	0.9
434.08017	1.7
447.18314	0.6
457.11234	0.9
462.08041	33.0
463.08743	14.1
464.09036	0.9
475.12173	2.2
505.13342	0.8
595.12946	70.3
595.21307	2.5
596.13422	7.0
596.23016	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1669
Annotation	6,8-Di-C-glucopyranosylnaringenin
Peak:m/z	Relative Intensity
55.01919	1.7
69.03457	2.6
70.99978	3.9
71.01387	1.8
79.01864	4.1
81.03429	3.0
83.01379	4.6
93.03467	8.1
95.01388	2.1
97.02931	6.3
101.02445	1.9
107.01403	9.4
107.05021	1.8
109.02937	3.6
111.04483	2.0
113.02502	1.9
117.03450	1.9
119.05030	50.1
121.02946	4.2
123.00855	2.3
123.04552	2.7
123.96288	1.9
125.02415	12.6
135.04503	3.2
137.02437	7.8
139.04007	6.4
143.04991	5.8
145.02946	6.6
147.04520	3.8
149.01407	1.6
149.02467	6.3
150.03195	2.4
151.00342	7.3
151.03979	3.7
155.03526	2.5
161.06018	2.5
163.00375	4.2
163.03963	4.5
164.01123	2.0
164.39406	2.0
165.01953	7.9
165.05571	1.9
167.03519	11.6
177.01903	6.4
178.02707	2.0
179.03496	4.6
184.39148	1.8
187.03984	5.6
189.01825	2.0
191.03500	6.4
193.01329	12.9
197.04449	2.6
199.07678	3.4
203.03438	2.3
205.01376	9.8
206.01942	2.0
207.03000	5.9
209.04526	4.6
219.03006	5.5
235.02481	15.0
239.05450	3.3
249.03908	2.9
261.03928	2.4
265.03607	8.8
271.06149	3.0
283.06024	1.9
313.07147	25.6
313.10516	2.9
314.07401	2.5
325.07321	9.9
330.10229	1.8
339.08694	2.2
343.08240	9.8
355.08224	100.0
356.08661	3.8
367.08371	5.0
385.09280	72.5
386.09570	6.2
397.09164	4.4
405.64719	1.9
415.10355	24.4
427.09937	3.2
457.11197	10.9
475.12485	44.0
476.13055	3.0
487.12433	6.3
505.13498	13.0
577.15765	4.8
595.16681	92.3
596.16803	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	594.3437
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
70.77364	2.0
70.77733	2.2
147.60577	1.0
163.11279	2.9
178.09982	2.4
179.10747	9.8
185.47972	1.1
191.10799	1.6
354.21561	1.2
355.22772	21.1
356.22940	1.7
436.95697	1.1
474.27899	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2818
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	1.1
56.97750	0.8
57.03436	1.3
58.00587	1.7
59.01381	60.7
59.32178	0.8
61.98830	3.2
63.02414	1.3
65.00361	1.0
69.03457	2.3
69.35587	6.3
71.01384	33.2
72.99311	3.4
73.02955	5.6
75.00874	9.6
75.44885	0.7
78.96397	0.6
83.01392	4.4
85.02954	9.2
87.00885	3.5
89.02445	29.4
93.03460	2.9
95.01396	3.8
97.02988	1.0
99.00877	2.3
101.02448	19.5
102.98598	2.5
107.01391	1.6
111.00851	1.3
113.02462	14.7
117.01974	1.5
117.03498	1.0
119.03487	9.0
119.42130	0.7
121.02960	2.6
122.03743	2.1
123.04548	1.7
124.01596	0.8
125.02442	4.6
131.03479	1.6
133.02956	1.5
134.03752	16.4
135.03003	30.8
136.03368	1.0
137.02461	5.1
139.04027	1.7
141.01990	0.9
143.03468	3.4
143.04547	1.0
145.02983	0.9
149.02422	5.0
149.04590	2.0
149.06062	4.5
150.03230	12.6
151.00392	5.9
151.03883	1.0
154.04156	0.9
155.05019	1.0
159.02951	0.9
159.04539	0.8
161.02480	1.2
161.04590	6.1
163.00360	2.0
163.04031	1.0
164.04718	0.9
165.01918	0.8
165.05554	13.2
166.05984	0.7
169.06596	1.7
175.03961	1.1
177.01898	1.7
178.02710	9.5
179.03241	0.8
179.05620	10.9
180.04289	0.8
183.03044	0.7
183.04469	3.6
185.00964	1.1
185.06035	2.0
187.04021	2.7
189.01901	1.4
189.05576	1.8
193.05049	37.0
194.05402	1.6
195.06612	10.2
204.14920	1.0
205.01625	0.8
207.03003	1.6
209.06244	1.1
211.04063	3.8
213.05559	2.3
214.02611	0.9
215.03453	0.8
217.05063	1.0
227.03497	24.1
227.16487	1.5
228.03899	1.2
229.05055	2.2
239.03407	0.9
241.04919	1.2
243.02953	1.0
255.02985	72.4
256.03510	8.6
257.04599	2.6
267.03186	0.8
271.02530	2.7
281.04556	1.4
282.08963	1.1
283.02475	100.0
284.03177	47.1
285.04031	67.9
286.04343	5.5
297.03949	1.0
299.01984	3.3
300.02621	1.2
301.03580	1.9
327.05048	1.1
341.10413	3.1
371.20520	1.0
389.11914	3.8
389.16595	1.7
389.21680	2.6
429.08405	1.3
430.09061	24.2
431.09778	13.1
431.22815	1.1
432.10483	0.8
442.60046	1.0
446.08401	1.8
447.09332	68.9
448.09604	10.1
449.39371	0.9
455.11484	1.4
533.26111	18.2
534.26581	2.2
535.54999	0.8
551.27155	16.6
552.27356	2.4
593.15076	73.5
593.26953	4.6
594.15485	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	593.273
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	1.7
61.98823	4.5
70.55566	3.6
78.95901	86.6
93.06242	1.0
96.96957	19.5
98.10236	1.0
121.02911	2.8
150.14146	1.0
150.98033	1.6
152.99585	66.1
179.72922	0.9
192.15288	1.2
209.04509	1.1
223.00011	2.0
227.03574	1.6
241.01207	36.9
255.02945	8.3
256.03555	1.2
277.21710	57.4
278.22192	2.2
283.02466	6.3
284.03162	5.6
284.78842	1.1
285.04111	6.5
289.66702	1.2
299.01846	1.9
315.04840	14.2
413.20776	6.8
431.21918	1.3
447.09296	4.3
466.40750	1.1
520.10693	1.2
565.29718	1.1
593.15509	6.9
593.27264	100.0
594.27679	10.4
607.56512	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2732
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31391	0.6
57.97854	0.6
59.01375	1.0
64.67233	0.6
71.31147	0.7
71.31490	0.9
78.95904	66.6
81.89623	0.6
96.96963	11.6
112.48425	0.5
113.10809	0.6
120.97089	0.5
150.98074	1.4
152.99588	100.0
171.00743	2.7
192.53537	0.5
223.00128	10.2
240.98715	1.2
241.01175	24.3
259.02234	1.4
277.21719	45.9
278.22052	4.5
284.72012	0.6
315.04877	17.5
333.05792	1.8
593.27338	68.0
594.27679	9.0
618.15643	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2454
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43253	2.4
57.03444	4.5
58.00578	2.9
59.01380	99.8
61.98832	33.5
69.03447	18.3
69.29871	20.9
71.01380	51.4
72.88822	2.3
72.99319	7.3
73.02940	13.2
75.00884	3.1
78.83636	2.6
83.01384	6.6
84.18021	2.5
85.02951	20.2
87.00867	8.9
89.02445	44.4
97.02952	4.0
98.19846	4.4
99.00886	8.5
99.04523	11.4
101.02426	31.7
111.04507	4.8
113.02440	16.4
113.22886	3.1
119.03500	15.7
119.04948	2.8
121.02943	3.2
125.02431	3.3
131.03482	4.5
134.08287	2.6
135.03117	3.0
135.04486	3.9
137.02473	3.2
143.03413	3.1
144.79842	2.5
151.00383	3.2
161.02466	3.3
161.04549	3.6
161.13354	33.1
163.04047	6.3
163.06107	2.9
165.05592	3.8
167.03387	2.8
174.03255	3.1
175.02571	3.1
175.03920	15.4
177.05656	4.1
179.05612	5.3
180.04216	7.3
181.07152	26.5
181.12250	3.4
185.00940	7.5
187.11279	11.8
188.04771	2.9
189.05534	6.6
190.06345	19.6
191.07109	14.3
193.05051	10.6
194.05766	5.4
205.08740	19.9
205.12331	52.2
207.06479	4.2
207.13838	6.4
208.07388	16.7
221.09808	4.3
225.11331	7.5
227.03500	20.8
249.11331	32.1
251.12819	12.3
255.02982	40.6
256.03625	4.3
283.02417	25.5
284.03223	49.7
285.03961	39.5
301.03415	4.2
359.10513	5.5
359.15012	100.0
360.15369	7.7
389.25711	2.9
405.17590	5.8
407.26260	6.2
413.18134	72.6
414.18481	5.1
429.17548	4.5
430.08963	5.5
431.09634	6.7
431.19141	24.9
447.09244	11.6
475.14957	3.4
533.26361	4.5
549.29388	5.1
593.15021	44.4
593.24603	46.7
594.15381	7.9
594.24683	5.5
594.34595	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.151
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61325	0.7
59.01372	1.3
64.87221	0.8
69.31952	6.6
69.32289	1.3
73.02966	1.0
80.42946	0.6
83.01403	0.8
98.20664	1.4
101.02444	1.1
107.01395	1.2
109.44453	0.7
126.09264	0.7
132.02159	1.3
135.00829	1.3
135.02966	0.8
144.90942	0.7
151.00375	1.8
151.91075	0.8
178.99864	1.2
195.01122	0.7
211.04005	2.0
227.03494	33.6
228.03792	2.0
229.04991	1.3
255.02977	65.2
256.03638	6.0
257.04520	2.1
259.46579	0.8
283.02457	1.6
284.03256	100.0
285.03903	16.4
307.79257	0.8
429.08243	2.2
511.54773	0.8
533.26422	1.1
551.26782	1.0
593.15088	73.8
594.15332	9.7
607.62097	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	11.2
61.98829	19.1
69.03448	1.5
69.75621	3.4
71.01373	5.4
72.99303	1.0
73.02940	1.7
83.01358	0.8
85.02953	1.4
87.00879	0.8
89.02443	4.0
96.03146	0.6
98.20642	0.7
99.04515	1.4
101.02424	3.2
102.56412	0.6
103.00381	0.7
103.60619	0.6
105.13793	0.7
105.82337	0.5
113.02440	2.8
119.03493	1.6
121.02930	3.2
122.03751	0.9
125.02368	0.8
134.03697	0.7
135.04523	0.6
136.05237	0.9
137.02452	1.3
138.03244	0.6
145.02946	1.5
147.04512	2.3
152.04805	0.6
161.13322	0.8
163.04004	5.9
163.11299	0.7
164.04626	0.6
165.02017	0.9
165.05568	1.3
173.06006	0.8
174.03210	3.5
174.04488	0.6
175.03990	18.7
175.05501	1.0
176.04753	5.4
177.05525	2.0
179.03539	1.2
180.04277	7.4
181.07126	0.6
181.12265	1.0
185.00838	0.9
187.11293	0.7
188.04782	4.0
189.05571	7.0
190.06348	20.6
191.07114	15.7
192.04251	0.8
192.07469	1.0
193.05054	9.2
194.05817	4.7
195.06279	0.6
203.07104	2.1
205.08675	17.8
205.12346	2.3
206.09032	1.3
207.06570	5.2
208.07394	15.7
209.07722	1.1
222.08994	2.8
223.09857	1.0
225.11340	2.0
227.03525	5.1
249.11319	1.1
251.12830	3.3
255.02988	10.6
256.03568	1.6
271.02524	0.8
283.02408	5.3
283.15430	0.9
284.03241	14.3
285.03976	8.6
299.01849	0.8
344.12799	3.0
359.14975	100.0
360.15335	9.5
389.16071	2.3
405.17725	0.8
407.26053	1.3
413.17984	1.9
430.09119	1.3
431.09848	1.6
431.19058	2.6
445.20792	0.9
446.08759	0.7
447.09213	3.3
448.09811	0.7
476.21420	0.6
487.21814	1.3
549.29327	1.9
551.27051	0.8
575.13422	0.8
593.15338	11.3
593.24438	2.0
593.31604	2.5
594.15594	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.151
Annotation	Datiscin
Peak:m/z	Relative Intensity
54.00031	0.3
59.01379	3.7
65.00325	0.8
66.89193	0.3
68.05335	0.3
69.43851	3.3
71.01370	1.0
71.60851	0.4
83.01393	0.5
89.02468	0.8
93.03458	1.0
98.19888	0.7
101.02440	0.7
101.91048	0.4
107.01400	0.8
107.87522	0.4
125.02463	0.4
134.03783	0.6
136.18193	0.5
137.02386	0.7
149.06061	0.4
150.03226	0.5
150.55612	0.4
151.00378	1.4
152.93198	0.4
158.22520	0.4
159.04471	0.7
161.04610	0.4
165.01923	0.4
169.06688	0.7
171.04471	0.6
183.04539	2.5
185.06120	0.5
193.05052	0.6
201.05540	0.6
207.39601	0.4
211.04030	2.2
213.05540	0.7
227.03473	3.3
229.05051	1.4
233.26303	0.4
237.69334	0.4
239.03557	0.5
255.02980	27.5
256.03387	2.4
257.04523	0.5
269.04346	0.5
281.04712	0.6
283.02466	50.3
284.03000	5.7
285.04031	100.0
286.04358	7.3
297.03961	0.8
307.06021	0.6
327.05054	3.5
340.02362	0.5
357.06622	0.4
431.09818	8.2
432.10110	0.8
446.08545	11.4
447.09253	17.9
448.09686	1.5
473.11072	0.5
533.25684	1.0
551.26862	0.8
593.15057	25.3
594.15637	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	593.1511
Annotation	Unknow
Peak:m/z	Relative Intensity
64.90210	0.6
67.32117	0.7
69.17089	5.1
69.17495	1.4
69.17687	0.5
107.01391	1.5
110.42938	0.6
132.02158	0.7
135.00874	1.0
151.00366	2.2
163.00397	0.9
164.01108	0.7
168.44040	0.6
178.99864	1.3
183.04527	0.8
187.03911	0.6
199.03998	0.6
211.03967	1.7
227.03499	31.0
228.03790	1.5
229.05037	2.8
239.03534	1.0
241.05162	0.9
254.53651	0.7
255.02974	58.7
256.03519	7.0
257.04474	2.7
264.33099	0.6
283.02475	3.0
284.03250	100.0
285.03949	27.9
286.04282	1.3
304.43625	0.7
384.98428	0.6
429.08011	1.2
593.15088	56.9
594.15326	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	593.1513
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	6.9
59.83271	0.4
60.67515	0.4
61.98829	0.7
63.02396	1.1
65.00336	0.8
69.03447	2.0
69.46928	2.2
69.47355	1.1
71.01375	4.0
73.02966	0.9
82.63738	0.4
83.01392	1.3
83.96040	0.5
85.02970	1.2
87.00890	0.8
89.02435	2.2
91.01926	0.4
93.03469	1.6
93.81715	0.4
97.02975	0.6
99.00877	0.7
99.04512	1.0
101.02456	1.8
107.01385	2.5
109.02951	0.7
113.02431	1.3
119.03543	0.8
119.05011	0.6
120.99656	0.8
125.02443	0.5
131.05003	0.5
132.02177	1.2
135.00824	2.2
135.02992	0.4
135.64680	0.4
143.05058	1.0
151.00366	4.2
153.01874	0.6
157.06667	0.7
159.04523	1.7
163.00374	2.3
164.01215	0.5
165.01945	0.7
167.04980	0.8
169.06551	0.7
171.04497	1.1
178.99820	0.5
179.05611	0.6
183.04547	1.7
185.00827	0.9
185.06064	2.8
187.04002	3.4
189.05574	1.7
195.04552	1.2
196.05388	0.5
197.06075	1.1
199.04042	1.0
201.05669	0.7
205.12463	0.4
207.13777	0.8
211.04022	2.8
213.05592	2.8
214.02763	0.8
221.09589	1.1
227.03482	39.9
228.03868	1.9
229.05026	12.2
230.05405	0.6
236.23648	0.4
239.03461	1.9
240.04367	0.7
241.05075	2.2
243.03011	0.7
251.12918	2.1
255.02982	66.2
256.03571	8.4
257.04538	7.2
267.03049	0.8
275.12848	0.5
283.02438	5.9
284.03253	80.4
285.04016	100.0
286.04459	6.3
299.01895	0.7
327.05084	1.7
429.08026	0.5
430.08975	1.1
431.09784	5.4
431.18945	3.0
447.09412	3.2
471.17969	0.5
533.20099	0.5
549.29413	0.6
575.14063	0.6
593.15088	97.3
594.06183	0.7
594.15405	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	593.1512
Annotation	Kaempferol-7-O-neohesperidoside
Peak:m/z	Relative Intensity
56.95478	0.3
59.01379	3.6
61.98816	0.9
63.02383	0.6
65.03983	0.5
69.93414	1.8
71.01387	1.7
72.99319	0.6
73.02943	1.2
83.01393	0.7
87.00874	0.5
87.16043	0.4
89.02439	0.5
93.03474	1.7
99.00934	0.6
99.42412	0.3
101.02456	0.7
107.01393	1.6
109.02974	0.7
119.05036	0.4
121.02972	0.5
125.02389	0.4
135.00894	1.7
136.71037	0.4
143.05031	1.6
151.00337	0.6
153.01869	0.5
154.04297	0.6
155.03683	0.4
155.04929	0.5
157.06639	0.6
159.04517	1.3
161.01033	0.4
161.02412	0.6
162.00488	0.4
163.00356	2.7
165.01942	0.5
167.04994	0.6
169.06555	1.0
171.04501	0.7
177.05597	0.4
183.04468	0.6
185.06064	3.0
187.03983	3.2
189.05605	1.0
195.04517	1.2
197.06071	1.5
199.03990	1.5
201.05562	0.7
211.03976	2.2
212.04695	0.5
213.05536	2.5
215.03455	0.4
227.03502	6.8
228.03870	0.5
229.05055	14.1
230.05385	0.9
239.03508	1.8
240.04240	1.0
241.05019	2.0
255.02995	7.5
256.03586	1.8
257.04562	7.4
267.03006	1.2
283.02463	1.9
284.03275	6.3
285.04044	100.0
286.04398	6.6
305.06781	0.4
389.25458	1.3
423.07129	0.6
430.08823	0.5
431.09747	0.9
447.09109	1.3
471.46283	0.4
515.19324	0.5
533.20074	0.9
549.29706	0.6
563.21320	0.5
575.21167	0.4
592.33453	0.8
592.70691	0.4
593.15112	32.3
593.31885	2.4
594.15509	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	593.1513
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45003	0.8
57.79596	0.8
59.01363	2.3
65.00337	0.9
69.88497	3.2
69.88905	1.3
81.46432	0.9
93.03432	0.9
94.81924	1.0
97.70296	0.8
151.00357	2.7
153.30914	0.9
163.00407	1.0
169.06601	1.2
183.04510	2.2
185.06108	1.2
187.03995	1.5
189.05539	1.9
211.03981	2.1
213.05545	2.0
214.02716	1.2
227.03500	9.7
229.05029	1.1
255.02975	55.1
256.03537	4.5
257.04614	2.1
283.02475	100.0
284.03143	25.1
285.04050	45.4
286.04453	2.1
327.04834	1.1
396.64612	1.0
430.08990	26.0
431.09793	11.2
447.09320	76.8
448.09711	8.7
593.15100	60.6
594.15424	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	593.151
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	1.2
65.00326	1.8
65.47668	0.7
69.27850	7.4
78.57941	0.8
80.71328	0.7
83.01427	1.6
87.78819	0.9
90.03626	0.8
91.14581	0.8
107.01399	1.9
117.03460	1.2
119.03474	0.8
121.37589	0.8
151.00340	4.3
151.44524	0.9
153.01898	0.9
155.05037	1.1
159.04565	1.1
163.00386	2.1
165.01961	1.4
169.06612	2.0
171.04529	1.2
173.02443	0.8
178.89948	1.0
183.04468	3.0
185.06122	2.0
187.04033	2.3
189.05501	1.0
193.04991	0.9
199.04019	2.4
211.03967	3.2
213.05579	2.6
214.02670	1.5
215.03461	2.2
217.41939	0.8
227.03514	9.7
229.05029	2.9
239.03429	0.9
243.02965	4.1
255.02988	49.3
256.03461	3.7
257.04684	1.9
271.02490	30.0
272.02756	1.9
283.02484	83.4
284.03110	11.4
285.04050	53.6
286.04456	3.2
299.01984	42.4
300.02536	6.4
301.03525	30.7
301.06906	1.9
324.44205	0.9
327.04745	1.1
430.09064	18.0
431.09796	31.7
432.09979	2.7
446.08493	16.9
447.09293	53.8
448.09467	4.3
489.09564	0.9
593.15100	100.0
594.15417	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	593.13
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	0.2
66.01078	0.2
71.54790	0.2
74.14994	0.2
76.03188	0.2
77.03960	0.4
80.96525	0.2
88.15959	0.1
91.01917	0.4
93.03453	0.2
93.04278	0.1
120.02161	0.9
121.02953	100.0
122.03285	2.6
122.84826	0.2
125.02447	0.2
136.01648	0.5
162.24611	0.2
165.01924	5.3
179.04944	0.3
180.05783	0.3
181.05043	0.4
181.06551	2.3
182.94740	0.2
197.06039	2.0
199.07672	0.2
207.04494	0.9
207.07883	0.2
207.18398	0.2
209.04536	60.4
210.04886	2.2
225.05531	1.7
227.03459	0.3
241.83614	0.2
251.07088	0.3
255.02898	0.8
256.03516	0.2
257.09613	0.5
257.94012	0.2
283.02429	0.8
284.03256	0.7
285.04047	0.8
285.09122	0.2
299.01859	0.2
301.08603	0.3
307.91226	0.2
313.07080	1.5
314.07654	0.2
320.30490	0.2
357.06094	1.3
373.10736	0.3
383.07687	1.2
401.08661	0.3
417.09793	1.3
418.10562	0.2
447.08920	0.7
505.04745	0.3
505.11420	3.0
506.11737	0.2
549.10345	6.6
550.10449	0.8
593.13074	9.5
594.13293	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1513
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	7.4
59.63587	0.5
61.98820	1.7
69.03428	0.6
70.22966	0.8
70.23309	2.1
71.01023	1.0
71.01376	4.5
73.02936	1.4
74.37733	0.7
74.38147	0.6
74.57521	0.5
83.01407	1.1
85.02940	1.5
87.00858	1.1
88.25806	0.6
89.02442	2.1
93.03426	0.6
95.01371	0.7
99.00884	0.8
100.70388	0.6
101.02451	2.9
107.01397	2.1
113.02452	2.0
121.51424	0.7
125.02513	0.7
127.20010	0.7
132.02231	1.1
134.03741	1.0
135.00894	1.2
135.02979	1.3
151.00369	2.7
161.04524	0.7
163.00357	1.2
164.01146	0.9
176.92102	0.7
178.99812	1.1
185.06149	1.1
187.03961	1.5
193.05171	0.7
205.12318	0.9
211.04021	2.5
213.05586	1.0
216.99342	0.6
227.03482	40.3
228.03877	2.6
229.05067	5.0
229.09810	0.7
239.03477	2.5
241.05098	1.0
245.93156	0.6
251.12950	1.1
255.02979	71.8
256.03467	8.3
257.04535	3.7
271.02628	0.6
283.02454	2.7
284.03250	90.7
285.03986	37.6
286.04355	2.6
301.03622	0.8
327.05078	1.5
339.04587	0.7
359.14920	0.7
389.21722	0.6
413.17865	1.2
431.18854	1.4
447.09396	0.8
501.89325	0.7
533.26154	1.1
551.27405	1.6
593.15106	100.0
594.15527	14.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.13
Annotation	Tribuloside
Peak:m/z	Relative Intensity
53.54417	1.0
57.03445	9.4
59.01381	4.8
63.02361	0.9
63.23484	0.9
69.03438	1.5
69.95665	5.0
71.01381	3.1
72.56422	1.0
81.03455	1.8
83.01386	2.6
87.00885	1.3
89.02451	1.7
93.03470	2.7
95.01408	1.9
95.05050	1.6
95.43551	1.0
96.95986	2.6
97.02937	1.9
107.01390	1.2
107.05064	1.2
109.02943	13.0
111.04496	2.2
113.02512	1.4
121.02927	3.2
123.00869	3.8
123.04529	4.9
124.01643	1.2
125.02451	100.0
126.02785	1.6
133.02948	2.8
133.05067	1.7
135.04550	1.7
137.02448	22.9
138.03212	1.7
139.04001	9.9
143.82240	1.1
149.02458	3.4
149.06134	1.6
151.00310	1.4
151.04004	7.1
159.04471	2.3
161.02457	16.8
161.04559	1.0
161.05959	1.2
162.03223	1.6
163.03996	3.3
164.01126	5.0
165.01941	10.2
167.03476	11.9
173.06027	1.3
175.04021	7.7
175.07547	1.1
177.01930	25.9
177.05534	3.5
179.03474	8.2
187.03998	3.2
188.04681	1.6
189.05417	1.0
191.03461	1.6
191.07028	1.2
193.05106	1.2
193.80614	1.1
199.04004	1.4
201.05522	1.9
203.03569	2.2
203.07222	2.2
204.04298	1.1
205.01375	3.8
205.04977	1.8
211.03961	1.8
213.05519	2.0
214.02730	1.3
215.07132	1.5
217.05103	2.1
219.06624	6.5
221.04570	5.3
225.05553	1.1
227.03497	11.8
229.05055	3.3
231.06590	1.3
243.02917	3.9
243.06648	2.2
245.04524	4.4
245.08125	3.0
253.04997	1.5
255.02991	26.3
256.03757	4.9
257.04553	3.2
261.07626	2.8
269.04480	3.5
273.04013	2.2
283.02484	8.3
284.03265	18.4
285.03998	10.1
287.05670	6.6
289.07190	11.7
297.04068	3.7
299.05566	1.6
305.06659	60.4
306.06955	2.1
341.02881	1.2
345.06149	1.2
347.07718	1.4
355.08163	2.0
369.41434	1.1
397.09195	1.9
407.07700	11.7
423.07233	52.8
424.07471	3.5
425.08670	5.8
426.04724	1.1
431.09747	2.4
441.08051	5.7
447.08963	2.1
467.09875	14.2
575.11652	2.0
593.14539	14.8
594.14313	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.13
Annotation	Kaempferol 3-(5''-feruloylapioside)
Peak:m/z	Relative Intensity
54.43439	0.8
56.58008	0.9
57.03451	13.0
60.17300	0.6
69.03439	0.7
69.91418	3.8
80.14352	0.7
81.03462	1.8
83.01389	2.8
93.03434	1.0
95.01376	1.8
97.02966	1.9
107.05077	0.8
109.02953	11.2
109.15680	0.8
111.04519	2.8
114.76659	0.7
114.89465	0.8
121.02966	2.2
123.00884	3.2
123.04514	1.9
124.01654	2.1
125.02448	100.0
126.02753	1.5
133.02966	2.9
135.04515	2.0
137.02452	21.0
137.03514	1.0
138.03304	1.4
139.04008	11.6
145.06651	1.1
149.02434	2.6
149.06142	1.3
151.04030	5.0
159.04536	1.4
161.02432	17.1
162.03131	1.1
163.04044	2.2
164.01160	5.2
165.01932	11.7
167.03506	10.6
173.06032	1.1
175.04010	5.7
177.01924	14.2
177.05551	2.5
178.02382	1.3
179.01924	1.1
179.03476	10.5
183.78583	0.7
187.04088	2.5
189.01817	1.0
191.03447	0.9
191.07091	1.1
199.03963	1.5
201.05579	1.9
203.03473	3.4
203.07179	1.3
204.04289	2.0
205.01363	2.4
205.04997	1.3
211.03955	1.2
215.03419	1.1
217.05038	1.8
218.05865	0.8
219.06676	6.3
221.04562	5.1
227.03503	2.7
229.04984	1.8
237.07794	1.2
243.03033	5.6
243.06602	1.5
245.04623	7.1
245.06924	0.9
245.08177	1.2
255.02983	13.7
256.03748	3.4
257.04633	2.5
261.07556	1.8
269.04526	4.1
273.04034	2.5
282.01529	1.3
283.02542	7.9
284.03171	2.4
285.03992	2.7
287.05664	6.2
288.02628	0.9
289.07220	6.3
297.04016	4.9
299.05658	2.7
305.06650	66.8
306.06927	4.3
339.08960	0.8
345.06223	1.3
355.08334	1.4
397.09116	1.3
404.16760	0.8
407.07626	2.8
423.07184	62.9
424.07574	4.1
425.08792	4.3
441.08353	4.8
449.09003	0.7
465.08401	0.9
467.09845	12.7
467.16180	1.5
468.10394	1.8
575.12000	2.4
593.13165	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	593.13
Annotation	CHEMBL448883
Peak:m/z	Relative Intensity
50.84906	0.9
56.04220	1.0
57.03451	12.5
58.89936	0.9
59.01387	2.1
60.19294	0.9
71.00084	1.1
71.00410	1.7
81.03455	3.1
81.71956	0.8
83.01385	3.6
85.02950	0.9
93.03467	2.1
95.01389	1.6
97.02954	2.0
107.05013	0.9
109.02951	13.5
111.04510	4.0
121.02969	1.9
123.00866	3.0
123.04524	1.9
124.01659	2.0
125.02447	100.0
126.02808	2.0
133.02939	3.4
133.06500	1.0
134.27856	0.9
135.04613	1.1
137.01451	1.8
137.02451	25.4
137.03500	1.3
138.03247	1.8
139.04002	13.1
149.02431	3.6
149.06128	1.1
150.21321	0.9
151.04025	5.4
159.04530	2.0
161.02441	21.2
161.06071	1.3
162.03061	1.5
163.00320	1.3
163.04027	1.6
164.01146	5.0
165.01926	14.2
167.03491	11.1
175.03966	6.8
175.07687	1.2
177.01924	14.9
177.05556	4.2
178.02603	1.3
179.03508	11.6
183.04536	1.0
187.03983	3.2
189.05525	1.4
191.03452	1.3
191.07182	1.2
193.05104	1.5
199.04005	1.2
201.05592	1.4
203.03488	3.0
203.07109	2.2
204.04242	2.2
205.01393	3.7
205.05145	1.8
211.04036	1.5
213.05553	1.1
215.03456	1.6
217.01436	1.0
217.05028	2.4
219.06586	11.4
221.04489	5.3
227.03543	5.6
229.05084	1.8
231.06610	1.3
238.51491	1.0
239.03461	1.1
243.02983	4.1
243.06693	1.8
245.04559	7.9
245.08235	1.9
247.02452	1.1
255.02991	19.8
256.03702	5.7
257.04428	2.2
261.07663	3.0
267.06757	1.0
269.04547	3.9
273.03970	2.0
282.01694	1.3
283.02490	10.5
284.03229	9.8
285.03970	5.7
287.05539	6.7
289.07098	7.0
297.03995	4.6
299.05569	4.1
305.06656	74.4
306.06918	4.0
345.06369	1.2
355.08221	2.0
394.46982	1.1
397.09232	1.3
407.07578	3.2
423.07193	60.8
424.07605	6.6
425.08762	3.7
431.10178	1.2
439.17273	1.0
441.08151	7.9
446.06393	0.9
447.09033	1.0
467.09854	13.3
468.09918	2.7
575.12225	2.1
593.14130	9.1
594.13574	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	591.3021
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	3.2
59.01378	48.8
60.39721	1.8
61.98827	20.5
69.03451	3.4
71.01001	3.7
71.01380	52.1
71.55437	3.6
72.99285	9.0
73.02946	13.5
78.25307	2.4
83.01386	6.1
85.02943	15.6
87.00872	7.6
88.20984	2.2
89.02452	30.2
97.02965	4.1
99.00871	4.8
101.02435	25.1
105.01875	2.8
109.03083	1.7
111.00883	8.4
113.02451	12.4
113.97993	1.6
119.03487	2.1
125.02428	7.7
129.01978	2.1
131.03476	11.0
143.03510	3.7
147.04530	10.4
149.04478	9.8
159.02940	3.6
161.04553	9.3
191.05591	2.6
191.89078	1.9
193.86020	2.2
233.06677	5.0
293.08731	7.5
317.07883	8.7
399.23715	7.1
399.75308	2.2
405.09366	6.7
406.66968	2.0
441.13095	2.1
531.28137	100.0
532.28491	13.0
591.29346	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	591.3022
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01899	4.1
57.58223	3.9
57.85137	3.5
59.01379	100.0
61.98829	17.8
71.01380	97.3
71.39616	4.6
71.39962	4.9
72.99302	16.0
73.02950	21.4
83.01382	10.5
85.02953	30.5
87.00877	12.7
89.02440	94.5
90.79521	3.8
97.64598	4.4
99.00880	9.5
101.02443	68.4
105.01945	5.7
113.02448	29.4
113.08676	4.0
119.03513	12.9
125.02399	9.7
131.03510	30.7
147.04453	5.0
149.04558	73.8
150.04745	3.6
152.55031	3.8
161.04550	21.4
165.40948	3.6
167.49486	3.9
171.45105	3.6
179.05664	7.4
191.05608	13.7
271.51779	3.9
293.08789	8.1
295.62296	4.1
297.65704	4.8
321.10815	4.8
342.45441	4.2
399.23932	26.5
405.09192	6.1
434.99890	3.9
531.28094	99.2
532.28583	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	593.1301
Annotation	CHEBI:75674
Peak:m/z	Relative Intensity
54.49473	0.9
57.03448	14.3
59.01374	2.2
69.03461	2.1
69.76364	3.7
69.76781	2.0
71.01397	1.3
81.03453	1.3
83.01382	4.6
85.02960	1.2
93.03481	3.0
95.05013	1.1
97.02964	4.1
105.03468	1.2
107.05025	1.8
108.02174	2.0
109.02951	19.7
116.72696	1.1
121.02968	7.7
122.03757	1.6
123.00870	1.0
123.04523	13.3
125.02445	100.0
126.02775	2.4
133.02965	3.0
135.04504	2.5
137.02449	19.7
138.03026	1.2
139.03981	4.0
145.02928	1.6
146.03757	1.1
149.02428	12.5
151.04033	12.9
159.04501	3.5
160.05254	1.6
161.02426	3.5
161.06143	2.9
162.03200	1.3
163.04005	4.2
164.01138	3.7
165.01936	6.1
166.02483	1.1
167.03465	4.2
175.04025	10.1
175.07603	1.7
177.01924	91.2
178.02347	3.3
179.03523	5.6
187.03983	6.4
188.04712	4.6
190.02733	1.6
191.03477	2.6
193.05026	1.2
202.06224	1.3
203.03455	1.5
203.07155	7.7
205.01392	1.7
205.05057	6.4
211.03830	1.9
213.05550	2.0
215.03467	2.1
217.05052	1.4
221.08060	1.9
227.03477	4.3
229.05083	3.2
237.11623	1.2
243.03011	2.7
245.04489	1.8
245.08200	10.1
247.06053	1.5
255.02982	16.4
256.03778	5.6
256.75903	1.1
257.04590	3.0
261.03979	2.4
269.04535	2.0
271.06506	1.1
273.04065	5.9
281.04620	4.7
283.02487	3.3
284.03302	6.5
285.03888	6.2
289.07172	63.5
290.07434	3.9
297.04141	2.3
303.05075	9.2
305.06711	9.5
315.05157	2.2
335.57794	1.1
339.08704	3.6
381.09735	1.9
407.07693	62.9
408.08218	6.4
423.07086	7.2
425.08759	30.5
426.09311	2.9
431.10159	1.7
441.08267	2.9
447.09546	1.4
467.09781	10.0
593.13367	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	591.2613
Annotation	Pheophorbide a
Peak:m/z	Relative Intensity
61.98813	0.3
70.61244	0.3
70.61560	0.4
76.87249	0.2
104.46750	0.2
106.06612	0.6
135.85374	0.2
221.66849	0.3
261.78128	0.3
365.78845	0.3
396.17093	0.3
401.17798	0.3
441.20792	0.3
443.23001	1.9
444.19226	0.7
445.19455	1.8
447.25659	0.7
455.22412	1.0
456.23059	0.8
457.20663	0.6
458.20984	0.5
459.21802	2.2
460.22180	0.6
462.20560	0.4
471.21100	1.3
471.25668	2.4
472.18192	0.4
472.23541	1.8
473.23923	1.2
476.18448	0.4
482.21265	1.2
483.21805	0.3
484.19217	0.4
485.19696	2.1
487.25687	2.9
489.22699	0.5
496.22589	0.4
497.23489	3.5
498.23788	0.4
499.21304	3.5
500.22174	12.8
501.22449	1.9
503.20334	0.5
513.23322	0.7
514.23657	1.0
515.24506	100.0
516.24847	12.9
518.23346	0.6
519.23633	0.5
547.27094	0.5
559.23444	4.0
560.24011	0.7
591.26538	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2612
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60324	0.4
56.06654	0.4
59.43359	0.4
61.98843	0.7
66.80227	0.5
72.78289	0.4
81.15324	0.4
92.16257	0.5
176.34581	0.4
221.59752	0.4
443.22260	1.9
444.19232	0.6
445.20020	1.4
445.25143	0.7
456.23328	0.8
457.20291	1.3
458.21469	0.6
459.21930	2.4
471.20844	0.9
471.25626	2.4
472.22723	2.0
473.23129	1.4
482.21149	1.6
485.19913	2.1
486.20273	0.8
487.25629	3.4
489.22488	0.8
497.23584	3.9
499.21426	4.2
500.22235	10.2
501.22333	1.7
504.21558	1.4
513.23413	0.7
514.23871	1.1
515.24512	100.0
516.17499	1.0
516.24854	14.1
559.23560	4.8
560.23401	0.7
591.26160	1.0
617.43634	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.3025
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01890	2.5
57.03462	1.9
57.08996	1.7
58.00591	4.3
59.01378	100.0
61.98831	33.8
67.66159	1.8
69.60091	4.1
69.60506	10.3
71.01385	74.6
72.99301	8.9
73.02940	15.4
75.00837	2.9
77.24787	1.7
78.06992	1.6
83.01399	8.7
85.02946	17.1
87.00888	12.4
89.02445	80.1
96.95972	2.1
97.02941	2.3
99.00896	7.8
101.02447	56.2
111.00890	5.7
113.02470	17.9
115.04037	2.3
119.03512	8.6
125.02436	7.6
127.00403	2.5
131.03491	40.6
132.26683	1.8
143.03496	3.0
147.04530	3.7
149.04555	85.3
159.02991	1.8
161.04535	9.0
179.05682	1.8
183.02921	1.8
191.05606	17.6
196.73227	1.6
209.11134	1.8
213.49655	1.8
233.06639	1.9
237.50105	1.9
251.07646	2.5
285.04211	2.8
293.05753	2.3
293.08765	8.5
302.65579	1.9
311.09683	5.3
369.22995	2.7
382.39566	2.0
399.23975	13.3
508.26028	2.4
531.28052	91.2
532.28479	10.4
547.31213	8.6
591.29932	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	591.2294
Annotation	Unknow
Peak:m/z	Relative Intensity
55.98253	1.5
58.00592	3.2
59.01380	84.0
61.40856	1.3
64.01448	1.6
69.03445	4.9
69.36836	2.6
69.37247	8.5
71.01385	56.4
71.05064	1.9
72.99316	3.7
73.02952	3.3
83.01402	3.5
85.02944	11.2
87.00879	2.9
89.02445	57.5
95.01398	5.5
99.04523	7.3
101.02448	25.8
111.04498	2.2
113.02462	23.4
114.74671	1.7
119.03505	29.3
119.04996	2.0
131.03482	2.9
135.02971	2.0
143.03517	8.1
159.08163	1.9
161.04483	10.4
161.09750	1.8
161.13361	21.5
169.10315	2.3
169.50705	1.9
179.05589	21.7
185.00882	2.0
185.13300	2.8
187.11279	35.9
188.11682	2.2
205.12334	59.7
206.12634	3.3
229.12289	10.3
231.10272	3.0
247.13280	3.4
249.11311	87.3
250.11653	6.4
291.12354	6.3
320.15186	1.7
351.14487	2.3
385.14288	1.8
385.18369	8.5
405.24887	1.8
408.29831	1.7
411.16559	16.9
412.16968	1.9
429.17642	100.0
429.68695	1.8
430.17950	9.5
449.07983	1.8
473.14511	4.2
591.22906	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	591.2293
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03415	3.3
58.00575	3.4
59.01379	100.0
61.98835	2.3
69.03445	2.7
69.25772	16.1
71.01382	59.0
72.99306	3.2
73.02943	2.7
81.07088	2.2
83.01400	3.5
85.02938	14.7
87.00846	2.0
87.03769	1.7
89.02447	67.1
95.01376	3.2
95.04990	2.2
95.97679	1.9
99.04533	11.3
101.02436	28.0
104.42966	1.8
111.04504	2.4
113.02447	25.6
119.03506	27.0
119.04972	3.2
120.05772	2.1
125.02499	2.1
135.03001	5.5
143.03491	5.4
149.04491	2.4
159.08125	3.4
159.11694	2.4
161.04565	6.0
161.13344	27.8
169.10272	2.4
179.05647	22.3
182.83858	2.0
185.09665	2.0
185.13342	4.1
187.11276	48.8
188.11598	3.9
205.12329	56.4
206.12721	2.7
225.80988	1.8
229.12320	12.6
231.10196	4.0
247.13341	5.9
249.11302	95.2
250.11711	6.0
291.12372	5.7
350.69998	2.2
351.14389	4.1
385.18732	8.3
411.16577	17.4
412.17178	2.4
429.17618	94.9
430.17831	11.3
473.14600	5.0
482.73495	2.1
591.22656	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	591.2293
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	2.4
57.03439	2.6
58.00579	5.5
59.01379	100.0
64.88023	1.9
69.03445	5.2
69.38155	11.3
71.01381	58.2
72.99300	3.2
73.02938	3.3
83.01386	1.9
85.02953	13.7
87.00916	3.8
89.02448	58.5
95.01396	7.7
95.04991	2.1
98.19955	4.0
99.00917	2.5
99.04523	8.2
101.02440	29.3
113.02451	26.2
119.03497	24.7
119.04937	2.7
131.03497	2.3
135.03015	3.3
143.03539	8.5
149.04544	2.5
159.08133	2.4
161.04524	10.2
161.13367	31.1
162.13661	1.8
179.05606	23.5
185.00879	4.5
185.09657	2.1
185.13286	2.8
187.11290	45.0
188.11578	4.5
203.14389	1.9
205.12325	64.2
206.12648	5.7
225.11441	2.5
229.12358	20.7
231.10143	3.9
247.13464	7.7
249.11298	79.0
250.11584	5.3
273.11420	1.8
280.32291	1.8
291.12283	3.6
296.14340	1.9
302.40054	1.6
351.14505	4.2
377.16785	1.6
385.18671	16.4
386.18732	2.0
405.17728	2.2
405.24524	2.5
411.16641	16.5
412.16446	1.9
429.17606	78.8
430.17868	6.4
434.78586	1.7
591.23035	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	591.2293
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	2.9
55.03310	1.7
57.03421	2.0
58.00589	4.6
59.01381	97.1
61.84489	1.5
63.85835	1.5
69.03461	11.0
69.34711	4.9
69.35117	9.7
71.01380	54.4
72.99288	5.7
73.02952	6.1
75.00862	3.2
77.35360	1.6
81.07089	1.8
81.86925	1.7
83.01391	5.1
85.02953	16.2
87.00874	6.2
88.98779	2.4
89.02444	56.0
95.01368	5.1
95.05035	1.8
97.02946	3.8
99.00878	5.2
99.04528	8.7
101.02433	29.6
107.04989	2.1
111.04475	1.8
113.01720	2.7
113.02454	28.3
119.03497	25.1
131.03462	2.5
135.02986	4.6
143.03464	4.9
145.11324	1.8
161.04515	10.2
161.13361	27.9
172.08749	2.0
179.05618	19.0
185.00905	6.1
185.13344	3.7
187.04179	1.6
187.11279	32.3
205.12335	49.8
206.12614	3.7
225.11246	4.1
229.12386	10.2
231.10283	3.6
249.11313	73.4
250.11630	7.9
291.12463	4.0
293.83002	2.1
385.18842	8.5
405.17450	3.7
405.25134	2.1
411.16553	27.0
412.16968	4.0
429.17639	100.0
430.18088	12.9
531.24457	2.7
549.24994	2.7
591.23157	11.7
592.22815	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
54.62309	1.8
55.01874	3.8
57.03447	2.4
58.00608	3.4
58.22869	1.8
59.01380	100.0
60.01721	3.0
61.98825	6.0
69.03458	33.9
69.65857	4.4
69.66251	5.0
71.01379	54.4
72.99280	9.5
73.02937	9.1
75.00884	9.5
79.01891	2.9
83.01365	3.9
83.05043	2.7
85.02946	16.6
87.00890	3.0
87.04493	2.4
88.98818	3.4
89.02447	46.4
93.03457	6.5
95.01408	5.1
97.02948	6.9
98.20657	2.2
99.00865	11.4
99.04514	8.4
101.02444	35.3
113.02437	24.9
119.03510	18.2
119.05021	14.0
120.99644	2.3
125.02412	3.3
135.02986	26.0
135.04507	2.2
141.01970	3.3
143.03490	4.9
145.09770	3.0
146.18163	2.0
147.04466	2.8
151.00366	3.8
151.43938	1.9
157.08667	3.5
161.04547	10.6
161.13336	9.0
163.03990	8.4
164.70010	2.0
171.71359	2.3
179.05608	15.5
185.00932	21.3
185.13370	7.1
187.11296	11.2
195.08112	16.8
201.11328	4.8
205.12308	20.8
205.16335	2.1
219.08145	3.5
221.09666	26.3
222.10239	2.9
223.11377	11.4
229.12308	26.9
249.09103	11.0
249.11313	25.4
267.10153	2.7
271.02469	2.8
273.11279	2.9
273.60437	2.0
280.28928	2.4
285.03958	3.4
291.12521	2.7
292.07208	2.1
293.08115	4.7
299.01895	5.1
300.02588	2.2
301.03412	5.7
311.09357	2.8
317.19659	5.8
339.14383	8.6
369.19028	4.5
381.26370	2.3
385.18756	3.7
387.19882	4.0
405.25131	16.1
411.16324	3.8
429.17484	50.7
429.67886	2.8
430.18036	2.3
431.18930	2.2
447.09509	6.4
473.14453	79.5
474.14987	10.4
508.08517	2.3
547.20844	2.4
549.25458	2.0
591.15155	2.7
591.25732	12.7
591.34735	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	589.3227
Annotation	Unknow
Peak:m/z	Relative Intensity
54.63964	0.2
60.39141	0.2
61.98833	0.4
64.12321	0.3
70.06059	1.0
71.01383	0.3
72.53372	0.3
72.99316	1.6
75.00874	100.0
76.01209	0.7
81.00491	0.2
98.20519	0.4
117.60799	0.3
172.12369	0.2
277.21725	0.6
324.07935	0.3
328.00330	0.3
340.87421	0.3
587.61871	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.3221
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88703	0.5
60.00552	0.4
61.98822	1.4
65.12748	0.4
70.87673	0.5
71.55481	0.5
72.99297	1.0
75.00871	100.0
76.01228	0.8
78.95923	0.8
82.79087	0.5
96.96001	0.4
152.99612	0.5
263.90692	0.5
277.21844	0.8
308.15207	0.5
418.14545	0.5
505.25842	0.9
530.26709	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.2819
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	33.7
59.16515	0.7
61.98830	100.0
67.00363	0.7
69.39719	2.2
69.40144	4.0
71.01385	6.1
72.99310	2.4
73.02934	1.6
81.01028	0.8
83.58991	0.7
85.02981	1.2
87.00870	3.1
88.17532	0.7
89.02448	3.5
94.83512	0.7
101.02451	3.4
105.01935	1.7
111.00849	1.1
113.02441	2.1
115.90244	0.8
119.03518	1.1
147.04500	1.4
149.04587	0.8
157.01378	0.9
161.04514	0.9
167.14394	0.8
183.13417	0.9
222.10094	0.8
295.09772	1.0
302.18295	0.9
317.07901	1.1
374.51483	0.8
405.09393	1.9
531.27899	1.2
535.76160	0.8
540.35822	0.7
603.38300	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.1357
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36020	0.7
55.01876	1.7
57.03447	1.3
58.00587	0.8
59.01381	29.4
61.98832	5.5
63.02398	1.0
65.00321	2.9
69.03455	10.3
69.34655	4.7
71.01384	12.7
72.99307	2.1
73.02944	5.2
73.26746	0.6
75.00867	1.9
83.01394	3.4
83.05007	0.6
84.44762	0.6
85.02965	4.0
87.00887	1.9
87.04506	0.8
88.98814	1.1
89.02448	9.0
95.01412	1.4
97.02948	2.2
99.00896	4.2
99.04514	5.3
101.02439	7.4
102.98622	0.8
107.01408	5.6
107.05072	0.8
109.02941	1.3
111.00865	1.0
111.04471	0.6
113.02448	5.9
119.03513	2.8
123.04517	0.7
125.02473	5.0
133.02939	0.9
135.02991	4.0
135.04562	1.0
136.01714	0.8
137.02408	0.8
141.01961	0.6
145.02962	1.0
147.04515	2.0
149.02466	0.7
149.04526	1.7
151.00368	27.7
151.96721	0.7
152.00864	0.7
153.01875	2.9
161.02414	3.7
161.04539	1.3
162.03139	0.7
163.00366	0.8
163.04036	4.4
169.01485	1.1
173.02448	1.0
174.03249	1.0
175.03979	2.7
177.01965	1.5
177.04042	4.7
178.99902	3.5
179.05652	1.4
181.01472	0.8
185.00955	5.9
187.00308	0.9
189.01929	2.2
189.12840	1.6
190.02679	0.6
191.03470	2.8
192.00716	1.0
203.03529	1.6
205.12251	1.0
207.13884	5.8
213.05699	0.6
217.01382	0.7
227.03479	2.3
229.05069	0.9
239.03482	1.1
240.04184	0.8
241.04874	1.1
243.02954	0.8
249.11285	2.1
250.11639	0.9
251.12894	20.1
252.13208	1.0
255.03098	3.0
256.03656	0.9
257.04660	0.9
266.02139	0.8
267.02881	1.2
269.04459	1.2
271.02353	0.7
279.02951	0.7
283.02698	0.8
284.03378	4.1
285.04013	6.2
287.18582	0.8
294.01785	2.8
295.02542	2.8
296.03305	3.9
297.03806	1.6
298.00964	0.8
299.02011	1.0
300.02676	0.7
301.03531	2.0
309.03903	0.8
311.01984	3.6
312.02753	3.6
313.03659	3.4
313.06946	0.7
317.19727	4.5
323.01834	5.0
326.00613	2.2
327.01474	6.8
340.02176	2.6
341.03000	12.0
353.03018	1.1
355.04776	1.1
385.15646	0.7
389.25397	0.7
391.26184	0.7
405.25131	4.5
429.17264	0.9
431.19125	11.7
432.19751	1.3
447.09506	3.8
459.09134	1.7
469.07898	3.2
470.08350	0.8
473.07040	1.5
473.24524	0.6
474.23053	0.7
487.08716	7.5
505.26578	1.0
531.28198	1.4
547.27808	4.0
591.13599	100.0
591.22815	6.6
592.13867	12.4
592.23541	1.1
592.33661	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.1562
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22942	0.8
55.01890	1.0
57.03445	1.1
59.01104	1.4
59.01380	19.9
61.98829	7.7
67.16769	0.8
69.03457	1.2
71.01384	14.8
71.55733	1.3
72.99310	100.0
73.02945	3.8
73.99636	1.1
83.01384	2.6
85.02942	2.8
87.00879	19.9
89.02448	6.2
93.03423	0.8
96.96011	3.0
96.99320	3.6
99.00889	2.9
101.02442	5.0
105.01267	1.6
105.01940	22.3
107.02370	1.1
109.02983	0.9
113.02460	3.4
115.00368	1.2
115.05522	3.7
118.35271	0.9
119.04957	0.8
121.02974	1.7
125.02446	0.9
127.55112	0.8
131.03502	1.7
133.06563	1.4
135.02977	1.3
137.02460	1.1
142.99864	3.7
145.01436	2.1
147.04515	15.4
149.04553	3.7
161.00914	12.2
161.04585	1.0
185.00934	1.1
191.08673	1.1
205.03540	6.6
205.10226	2.1
207.11787	1.4
224.55566	0.9
233.09726	11.6
234.10201	0.9
249.06206	5.0
251.10814	1.9
254.17671	0.9
277.08582	4.5
278.21954	0.9
293.05154	16.9
295.09756	60.0
296.10025	5.6
297.10437	1.5
301.18015	1.4
311.06183	16.7
311.09802	5.9
359.87109	1.0
383.11270	1.7
397.22467	1.3
529.26660	3.2
547.23639	4.2
589.16302	1.4
589.31232	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	589.1775
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74669	0.6
55.01879	4.3
55.83278	0.6
59.01377	11.3
59.13630	0.6
61.98812	1.0
67.01895	1.0
69.03455	100.0
69.67856	3.9
70.03775	1.4
71.01389	8.5
71.70084	0.6
72.99322	3.3
73.02943	1.8
79.01894	5.2
85.02941	3.7
87.00875	1.3
89.02445	5.4
93.03419	0.7
95.01404	3.0
95.67190	0.6
96.96018	1.9
97.02946	18.1
99.00883	24.4
99.04498	0.8
101.02450	3.2
110.02329	0.7
113.02441	2.9
115.00342	0.7
116.92875	1.1
117.01924	0.7
119.03524	3.3
123.00871	1.6
131.03410	0.7
135.02982	1.5
141.01935	9.1
143.03493	0.7
161.04575	1.3
179.05627	3.5
179.10780	4.0
185.00909	91.9
186.01259	2.9
203.01979	2.5
215.12828	1.7
223.09749	10.4
315.18188	0.9
357.66113	0.6
403.15988	11.8
403.23611	1.3
404.15851	1.1
529.41431	0.7
589.17645	13.6
589.25391	3.0
590.18182	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.2504
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78693	1.3
55.01866	4.7
56.61364	1.3
59.01380	45.5
61.98831	1.3
69.03457	70.6
69.64206	2.3
69.64600	7.3
70.03787	2.1
71.01383	17.6
72.99318	5.7
73.02950	7.6
75.00866	2.0
79.01902	5.1
85.02955	6.1
87.00872	2.7
87.04536	2.6
89.02449	14.6
92.18571	1.2
95.01381	3.5
96.55257	1.3
97.02950	16.2
99.00882	21.7
99.04521	4.0
101.02464	7.2
113.02445	6.3
116.92811	1.5
119.03511	6.3
123.00815	1.9
125.06084	1.5
125.09731	3.2
135.03055	6.9
141.01927	8.1
143.03491	1.8
156.93596	1.2
159.03027	5.7
161.13376	4.5
171.10268	7.7
177.04048	10.7
179.05585	3.0
185.00931	42.9
187.11270	2.1
201.11259	3.5
205.12303	11.8
215.12868	13.7
241.14447	8.1
249.11359	16.0
250.11484	1.6
261.14941	1.5
263.12891	2.3
279.15973	1.6
297.16974	4.2
315.18088	29.5
316.18610	3.7
349.12689	1.3
373.25964	2.7
389.25427	21.7
390.25726	3.6
391.26999	100.0
392.27222	6.5
403.23386	42.1
404.23462	4.0
409.14920	4.5
429.17294	11.7
430.17670	1.7
589.22827	10.2
589.30438	4.9
590.22375	2.3
590.31696	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	588.2662
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	30.8
60.00459	0.7
61.98830	100.0
68.04226	0.6
71.01385	5.5
72.99310	5.8
73.02946	2.5
82.81486	0.7
83.01371	1.0
85.02951	1.5
87.00887	2.8
89.02465	3.1
95.01371	1.3
97.70553	0.7
98.19943	1.9
100.68919	0.6
101.02442	4.8
105.01931	1.5
111.00836	0.7
113.02461	1.8
116.92062	0.6
117.86643	0.6
119.03523	1.1
119.40773	0.6
129.24831	0.6
147.04543	2.7
148.04912	0.8
161.04596	1.4
286.12051	0.8
293.52380	0.7
295.09995	1.3
296.10193	1.8
301.18088	1.5
317.07971	2.1
318.08356	2.8
385.22186	1.0
492.16684	0.8
529.26678	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.2346
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.2
59.01381	100.0
60.01725	1.0
61.98832	23.5
63.63044	0.8
65.55008	0.7
68.76894	0.9
69.03452	4.5
71.01382	15.8
72.99305	15.2
73.02946	16.2
75.00864	1.4
75.86318	0.8
77.60626	0.7
78.95470	0.6
81.03426	0.9
83.01382	5.5
83.84948	0.7
85.02947	4.1
87.00872	9.7
88.98787	1.0
89.02453	2.6
93.03462	1.3
95.01407	1.5
96.95991	1.0
97.02970	2.0
99.00898	2.4
99.04525	1.0
101.02441	16.9
105.01944	4.7
111.00926	1.7
111.04533	1.4
113.02444	7.7
119.03500	1.9
119.05038	1.2
120.10827	0.8
123.04543	1.5
125.02462	2.9
127.00374	1.1
129.01997	1.3
131.03497	1.8
135.03041	1.6
137.02455	1.5
139.00430	1.0
141.01894	0.8
142.99895	1.6
143.03513	2.4
147.04562	1.8
149.04555	2.1
150.26907	0.7
151.07561	0.7
155.03551	1.3
161.00963	1.1
161.04530	3.8
163.04126	0.8
172.18135	0.7
175.07712	2.2
185.00912	3.2
195.08221	1.2
203.05673	1.3
207.11668	1.2
211.02486	1.0
218.29973	0.7
221.61293	0.8
233.09821	1.3
233.11945	1.8
249.09355	1.1
251.10855	2.2
293.08636	1.6
293.13998	2.6
295.09744	9.7
309.04706	0.9
311.09387	3.2
312.09653	1.8
313.10181	2.3
317.17548	1.1
383.11481	2.1
387.23886	1.1
458.50888	0.8
476.46146	1.0
497.04773	0.8
587.31195	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	587.2477
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	15.8
60.08905	2.9
61.98832	100.0
71.01384	9.3
71.55112	5.1
72.99313	5.6
75.00863	3.3
75.68689	3.2
85.02956	5.2
87.00896	5.4
89.02447	6.9
96.96030	4.6
101.02454	5.6
106.95170	4.1
108.02175	20.3
119.03484	2.9
121.02908	5.3
122.03737	6.2
123.04525	31.2
123.73502	3.3
126.01610	3.0
126.84966	3.2
128.46208	2.9
130.08731	4.3
131.46063	4.0
135.03050	4.0
136.01669	18.5
148.03915	4.0
149.02467	24.7
150.03235	30.8
151.03979	34.7
152.01157	5.9
164.04813	4.2
165.05563	38.8
167.03513	6.0
172.09778	5.5
195.02979	19.3
195.06653	13.2
205.05017	3.2
256.07516	6.6
271.10010	5.9
276.87024	3.9
463.93509	3.4
467.17142	3.4
470.19305	6.8
569.16992	4.1
587.17413	9.4
587.25262	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	587.2713
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01159	2.1
59.01385	25.3
61.98830	7.3
71.01386	23.1
71.55289	3.2
72.99312	23.9
73.02890	2.4
81.03467	2.4
83.01350	2.6
85.02936	2.3
87.00871	6.7
89.02447	31.6
96.96001	2.6
101.02438	9.8
101.03111	1.9
105.01937	7.9
112.30674	2.5
113.02459	6.1
115.92027	2.7
116.92851	6.0
125.02440	5.2
128.24290	1.9
131.03503	7.7
143.97595	2.0
147.04449	3.8
149.04572	15.8
197.11714	2.0
233.15463	100.0
234.15773	5.4
291.19656	2.8
293.08817	20.6
295.09705	10.5
343.14886	2.3
527.24811	2.6
587.29297	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	587.1407
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
61.98834	6.5
65.03948	0.8
69.03436	1.4
69.45427	0.5
69.45732	4.7
71.01382	15.3
72.99309	39.6
73.02950	3.6
78.09186	0.6
80.02605	0.5
83.01386	6.3
85.02966	1.8
87.00878	34.7
89.02444	1.0
98.00151	0.7
99.00875	5.1
101.02470	3.4
105.01949	5.1
109.69044	0.7
111.00903	0.6
113.02448	2.1
115.00400	2.7
115.05579	0.7
119.04993	0.8
127.00377	4.4
127.85614	0.7
128.81912	0.7
129.01958	2.3
135.03053	0.6
137.02440	0.7
142.99854	7.2
147.04520	4.2
149.04559	0.9
161.00969	1.5
161.04527	0.6
175.07680	2.2
185.00932	1.6
205.08528	0.8
205.10245	2.0
207.11783	3.3
231.01482	0.9
233.09770	1.2
251.10794	15.1
252.11031	1.1
273.02603	1.2
291.03638	2.9
295.09753	68.6
296.10144	5.1
311.09204	0.7
323.75854	0.7
345.82758	0.6
375.94693	0.7
383.11362	28.7
384.11804	2.6
439.10413	0.7
569.13116	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.2347
Annotation	Unknow
Peak:m/z	Relative Intensity
55.58204	0.4
59.01380	100.0
60.01714	0.8
61.75808	0.3
61.98823	0.9
68.03070	0.4
69.61856	1.0
69.62266	1.3
71.01381	2.8
72.99308	3.6
73.02951	2.7
75.91280	0.3
79.26488	0.4
80.81448	0.3
83.01412	1.5
85.02961	0.7
87.00876	4.3
99.00902	1.0
101.02434	2.8
105.01944	0.6
113.02478	0.8
127.00394	0.6
129.26395	0.3
142.99887	1.3
147.04544	0.7
149.04575	0.4
161.04547	0.4
163.07719	0.7
166.91074	0.3
175.07664	1.4
187.07608	0.6
194.42191	0.4
198.10529	0.3
205.08601	1.8
207.11705	0.6
245.11945	0.5
251.10747	1.9
295.09805	8.7
296.10205	1.0
383.11298	5.1
454.06775	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.3444
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71499	0.1
59.01382	2.5
61.98829	100.0
62.98534	0.1
63.99252	0.2
69.03445	0.8
71.01379	1.5
72.99308	6.1
73.02951	0.5
73.99664	0.3
75.00876	0.5
83.01400	0.2
85.02969	0.5
86.18484	0.1
87.00878	3.5
88.01217	0.2
89.02446	0.8
93.03440	0.6
94.03772	0.2
96.96011	2.8
96.99314	0.2
97.02951	0.3
99.00872	0.7
101.02457	0.6
103.00381	0.1
105.01933	20.3
106.02275	2.3
107.02364	0.3
111.00880	0.3
111.04493	0.2
113.02434	0.7
115.00371	0.2
119.05009	1.8
120.05347	0.7
125.02453	0.2
127.00358	0.2
129.01915	0.3
131.05031	0.2
135.03000	0.2
139.00415	0.2
142.99834	0.4
143.05040	0.2
145.03017	0.1
147.04556	0.8
148.04846	0.4
154.99898	0.3
160.99637	0.2
161.00908	0.5
162.01205	0.2
163.03973	1.1
164.04373	0.5
175.02412	0.1
185.00925	0.7
195.08139	0.8
196.08467	0.3
203.01889	0.1
207.11800	0.3
221.09596	0.2
222.10080	0.2
223.11278	0.3
224.11659	0.2
249.06078	0.3
249.09155	0.4
250.09550	0.3
251.10689	0.3
267.10159	0.4
268.10617	0.3
291.03287	0.1
295.09726	0.5
296.10013	0.2
311.05692	0.2
311.09244	3.1
312.09586	3.5
313.09799	0.3
383.11215	0.6
386.22617	0.2
389.25153	0.3
400.11035	0.3
450.16336	0.4
468.17719	0.2
586.29083	0.4
587.30066	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	3.5
57.03450	1.9
58.00604	1.1
59.01377	13.3
61.98830	93.5
65.03979	1.0
69.03455	13.5
70.26531	2.4
70.26921	1.6
70.42112	0.7
71.01377	34.9
72.99309	47.7
73.02947	4.7
75.00816	1.1
83.01383	14.6
84.01731	0.9
85.02934	3.8
87.00875	62.3
88.98824	1.0
89.02424	3.5
93.03445	1.2
94.72173	0.9
96.96021	1.4
97.02950	3.9
98.00116	0.9
99.00876	17.9
99.04491	1.7
99.40835	0.8
101.02456	4.2
102.98540	1.0
103.05523	1.0
105.01932	21.2
109.02948	1.2
111.00899	1.2
113.02444	3.0
115.00347	3.6
115.04009	1.7
119.03513	1.1
119.05019	6.1
125.02410	1.0
127.00377	10.2
129.01932	2.4
135.02933	1.7
141.01904	2.6
142.99860	18.1
145.02977	1.2
145.06613	1.1
147.04541	6.7
149.04501	1.1
161.13348	1.6
163.04022	3.6
185.00897	9.5
195.08171	10.9
205.10233	2.1
207.11794	9.1
221.09610	1.9
233.03001	1.3
251.10760	15.2
252.11098	1.1
267.10242	1.1
273.02499	2.8
291.03616	3.1
293.08722	1.1
295.09744	100.0
296.10056	6.8
301.20230	1.0
311.09274	14.7
312.09253	1.4
313.10394	1.6
335.05911	1.0
357.13254	1.4
383.11365	48.3
384.11380	4.2
387.23877	2.2
389.25323	3.6
399.10760	2.8
439.09991	1.4
469.17819	1.1
545.25720	1.2
587.14264	1.0
587.23517	1.6
587.31677	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	587.1406
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.0
59.01381	7.6
61.00819	0.7
61.98820	5.3
66.60155	0.9
66.94952	0.7
69.36543	6.2
71.01373	10.7
72.99306	51.2
73.02939	1.9
75.00875	1.3
81.82333	0.7
83.01371	6.1
85.02957	1.0
87.00876	37.8
89.02441	1.7
96.99312	5.0
99.00871	4.6
101.02419	1.7
103.05557	1.3
104.07401	0.7
105.01931	66.7
106.02289	1.6
111.00906	1.8
113.02457	1.9
115.00364	1.3
115.05538	5.0
117.03420	1.3
119.04997	1.5
125.02480	1.2
125.34684	0.7
127.00372	5.2
129.01944	2.1
135.02950	0.9
139.00346	1.0
141.01898	1.1
142.99838	4.3
147.04520	24.6
157.01369	1.3
159.02963	5.5
161.00911	7.9
165.01891	0.7
181.01370	0.9
183.02998	0.8
191.08667	0.8
191.45578	0.7
205.10184	2.6
207.11781	2.6
210.52658	0.9
211.02480	2.2
231.01324	1.4
233.03061	1.3
233.09686	15.5
234.10033	1.1
249.02702	0.8
251.10727	4.5
261.06345	1.0
273.02475	2.3
276.97430	0.8
277.08630	4.7
285.11258	5.3
288.26526	0.8
291.03555	4.8
295.09744	100.0
296.10107	8.8
309.04752	4.4
317.07892	8.6
317.17557	0.8
383.11346	13.5
384.11551	1.7
522.16260	0.8
587.30322	1.0
607.03735	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.3041
Annotation	Methyl ganoderate H
Peak:m/z	Relative Intensity
51.39618	1.5
61.98821	9.3
65.58990	1.6
69.76124	6.7
69.76537	2.7
78.95901	58.9
96.96951	13.5
106.06071	2.1
152.99580	49.1
182.77884	2.0
241.01201	26.9
269.24835	62.9
269.27744	3.2
270.25162	5.5
315.04947	9.6
405.24173	7.7
575.63403	2.0
585.30444	100.0
586.30566	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	585.3524
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55967	0.3
61.98832	100.0
70.15193	1.2
77.09624	0.3
78.95913	3.8
84.92852	0.3
85.04518	0.3
90.79607	0.3
91.61171	0.4
96.96967	0.8
98.20507	0.4
151.16113	0.4
152.99588	3.4
154.08755	0.3
166.22421	0.3
241.01276	1.4
243.03104	0.4
269.24872	3.2
283.26569	1.2
337.08090	0.3
337.79370	0.4
422.21176	0.4
506.93732	0.4
508.34247	1.1
585.30310	5.6
586.31287	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.2505
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	41.9
61.98830	100.0
70.84065	1.4
70.84425	0.8
71.01375	6.7
72.99312	3.9
73.02950	4.0
83.01390	1.7
85.02956	1.2
87.00888	1.7
87.61884	0.5
89.02466	3.0
99.00893	0.8
101.02460	5.7
105.01945	2.3
113.02450	3.3
115.33386	0.6
119.03518	1.9
123.04472	0.9
125.02386	0.6
131.03482	0.6
143.03526	0.9
147.04553	1.9
148.64209	0.6
161.04578	1.9
165.68782	0.6
179.05713	0.6
184.93761	0.7
221.06615	0.8
224.97983	0.6
232.54826	0.5
233.09663	0.8
246.14854	0.6
295.09766	3.1
296.10196	0.9
301.67047	0.6
317.07791	2.8
353.10822	0.7
419.24640	2.5
424.18335	0.8
429.08881	0.6
437.25604	1.3
479.26456	2.8
496.40735	0.7
509.87817	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.219
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	1.3
58.00584	0.9
59.01380	26.5
61.98830	2.4
69.03467	0.5
69.45322	3.3
71.01007	0.7
71.01385	13.5
72.99298	1.4
73.02921	1.0
74.99100	2.4
83.01374	1.5
85.02959	2.4
87.00869	1.4
89.02447	7.5
93.03465	1.3
95.01380	1.2
96.96008	0.7
99.00890	0.8
99.04520	17.3
101.02445	7.0
111.04490	1.2
113.02455	3.8
119.03471	2.1
119.05016	1.5
120.99621	0.4
134.03696	1.6
136.99158	2.2
137.02425	0.6
141.07118	0.5
149.06033	0.5
150.03188	1.4
154.99957	0.5
158.83720	0.5
159.08136	0.9
161.09807	0.4
165.05547	0.7
178.02742	0.7
179.05533	0.5
185.09622	0.8
186.56950	0.4
193.05052	3.8
213.40350	0.5
253.15918	1.0
255.17508	1.9
273.18646	0.9
281.15549	2.6
299.16397	0.5
311.09177	1.6
317.17581	2.2
343.15433	0.9
361.16571	7.1
362.17096	0.9
387.14429	1.7
394.90622	0.4
405.15424	8.5
406.15826	0.8
423.16876	0.7
541.23767	0.8
567.20874	0.6
585.21844	100.0
586.22162	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	585.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19621	0.7
55.01872	1.3
57.03432	1.6
58.00582	1.4
58.87195	0.7
59.01379	23.8
59.12386	0.8
61.98816	2.6
65.16184	0.8
69.25584	7.8
71.01376	12.9
72.99304	2.0
74.99111	1.6
83.01375	2.5
83.05070	0.7
85.02933	4.0
86.85489	0.7
87.00859	2.1
89.02444	7.3
89.76362	0.8
93.03433	1.8
95.01395	1.1
96.27977	0.7
98.19856	1.5
99.00870	0.9
99.04520	13.9
101.02434	5.2
111.00831	0.8
111.04510	1.0
113.02422	3.7
116.76660	0.8
119.03481	1.8
119.05027	3.2
120.99652	1.1
128.90099	0.8
129.01953	1.1
130.01814	0.9
133.05354	0.7
136.99187	1.0
145.01448	1.7
145.06534	1.6
154.99860	9.0
157.06516	1.2
159.08147	1.8
161.09776	0.8
161.13344	1.6
163.11295	1.0
173.00858	1.0
175.21497	0.8
187.11279	1.1
229.15913	2.0
253.15793	1.0
255.17516	7.4
271.13403	1.5
281.15393	1.5
299.16577	0.9
311.09225	2.3
361.16507	5.8
387.14423	2.8
405.15479	20.7
406.16046	1.5
423.16559	1.6
429.17725	1.2
467.20273	1.9
585.21832	100.0
586.22107	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	584.3205
Annotation	Unknow
Peak:m/z	Relative Intensity
56.62510	0.4
59.01350	0.5
60.99310	15.1
61.98825	1.7
65.78558	0.4
66.69455	0.4
71.14388	0.5
78.95908	4.8
87.00858	1.0
88.00409	3.9
88.98807	100.0
89.02444	17.3
89.99150	1.0
93.71209	0.4
96.96922	0.7
98.19755	0.7
125.00096	0.9
152.99550	0.5
180.01967	0.5
255.23308	3.7
346.05737	0.7
366.76791	0.4
409.23621	0.8
480.30933	1.8
494.32373	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.1251
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	0.4
59.01385	3.4
61.98829	54.0
62.98531	0.5
63.89360	0.2
65.03974	0.3
69.03456	0.8
70.00995	0.5
70.01389	0.6
71.01384	4.4
72.99309	16.7
73.02953	0.8
73.47607	0.2
75.00877	2.0
80.96516	0.3
83.01388	1.5
85.02969	0.7
87.00875	16.9
89.02461	0.4
93.03460	3.5
96.99316	0.9
97.02967	0.3
98.19783	0.3
99.00873	2.6
101.02425	0.8
105.01933	100.0
106.02274	1.3
108.02182	0.3
111.00868	0.4
111.04491	0.7
111.88799	0.2
112.98810	0.3
113.02453	0.6
115.00359	1.2
115.05538	0.5
116.92886	0.3
117.03484	0.3
119.05027	11.1
120.05347	0.3
121.02927	0.5
125.02425	0.3
127.00362	1.2
129.01953	0.3
130.04227	0.3
130.59760	0.2
131.05002	0.9
133.02943	0.5
135.04544	0.3
141.01971	0.4
142.99835	1.0
143.05031	1.5
143.69431	0.2
145.01384	0.4
145.03003	0.2
145.06619	0.4
147.04518	6.4
147.05655	0.4
148.04907	0.3
154.99831	1.0
157.01422	0.5
161.00983	1.9
163.03999	9.4
173.04533	1.3
173.05844	0.2
173.84480	0.2
185.00887	1.0
195.08151	3.3
203.02005	0.7
206.38121	0.2
207.08195	0.5
219.08076	0.6
221.09712	3.2
223.11243	2.9
237.09256	0.5
249.09193	3.4
250.09589	0.3
267.10242	7.5
268.10626	0.5
273.02502	0.6
291.03549	0.9
293.08136	1.3
295.09671	0.4
311.09238	45.7
312.09564	3.6
329.56271	0.2
385.22125	0.6
387.23724	0.5
399.10934	3.8
400.11176	0.4
439.53607	0.2
450.16205	0.4
470.79190	0.3
585.21228	0.4
585.29755	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01900	1.5
57.03438	1.8
58.00584	1.4
59.01380	74.9
61.98550	1.3
61.98827	8.1
69.03455	1.6
69.27815	9.7
71.01380	29.8
72.99299	2.7
73.02944	37.8
74.03293	1.1
75.00883	2.0
83.01393	10.7
85.02953	9.6
87.00868	2.3
89.02445	9.6
93.03455	3.7
95.01383	2.6
95.05083	1.1
97.02950	1.3
99.00889	2.7
101.02445	37.1
108.46289	0.9
113.02459	16.7
114.02778	1.7
119.03510	5.4
120.99664	2.5
121.02950	6.0
122.03737	14.0
125.02419	1.6
131.03494	3.1
133.02994	1.5
135.04518	1.0
136.01628	1.2
139.03905	1.2
143.03485	6.2
145.02992	1.0
149.02440	26.4
149.04506	6.8
149.05635	1.1
150.03224	100.0
151.03668	3.3
161.04541	13.3
164.04782	9.0
165.05566	97.2
166.05888	3.6
167.03543	1.0
177.05573	2.3
180.04263	6.1
195.06621	56.1
196.06963	2.4
221.06647	3.3
263.05591	3.7
301.30328	0.9
311.12784	1.0
315.08536	1.1
316.09564	2.4
331.11810	9.7
332.12622	1.2
344.27994	1.2
475.16061	47.8
476.16562	4.7
493.17175	14.1
494.17566	1.3
503.21695	1.5
523.18384	2.0
535.18341	8.6
541.19464	2.4
583.20178	11.5
583.29578	3.5
584.21198	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.3157
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15671	1.2
59.01379	2.8
60.42840	1.2
61.98821	2.8
68.45384	1.3
69.41090	11.3
71.01363	6.4
73.02930	1.7
78.98583	5.7
79.95740	11.1
80.96516	57.2
85.02976	1.4
86.49170	1.8
87.00864	1.7
94.98082	13.7
96.08424	1.3
101.02448	1.6
106.98062	2.2
122.97544	2.6
125.02471	2.4
132.30090	1.7
134.97571	4.9
136.99091	1.9
148.99132	5.7
152.98602	5.5
164.98578	8.0
206.99826	1.8
225.00737	12.2
283.26468	2.0
299.04553	2.5
583.31555	100.0
584.32019	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	583.3363
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99305	0.5
61.98830	100.0
68.55540	0.2
70.11105	0.7
78.95896	0.5
87.00888	0.3
87.59251	0.2
88.00393	1.0
88.98804	2.7
89.02445	0.5
96.20309	0.2
152.99612	0.4
226.60710	0.2
242.07925	0.2
255.23384	0.2
281.24811	2.3
282.25323	0.6
283.25388	0.5
284.25851	0.4
506.32431	0.8
507.32986	0.3
509.33350	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.1987
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	0.3
58.09703	0.2
59.01383	0.9
61.98832	100.0
62.80069	0.2
62.98540	0.2
69.03499	0.3
69.19276	1.6
71.01383	0.8
73.02951	0.3
83.01392	0.3
85.02947	0.4
87.00918	0.5
89.02466	0.2
96.96015	0.2
101.02467	0.4
113.02512	0.2
119.05060	0.4
135.04552	0.2
147.04584	0.3
150.03221	0.7
154.99922	0.9
163.04027	0.2
165.05591	0.5
166.05890	0.3
195.06670	0.2
227.79662	0.2
292.25986	0.2
311.09152	1.3
325.52911	0.2
371.28586	0.2
465.26978	0.5
466.20166	0.4
466.27551	0.6
480.24966	0.3
494.20111	0.3
584.30389	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.3777
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	20.7
61.98821	0.8
67.44852	0.6
68.06235	0.5
70.18828	2.4
71.01369	0.9
73.19854	0.6
76.23548	0.5
78.95905	23.6
79.95722	0.6
80.68295	0.5
80.96518	4.1
94.98110	1.1
143.70337	0.6
152.99649	3.4
164.98566	0.7
168.04312	3.3
186.98070	0.6
224.06929	8.9
225.00670	1.1
242.07948	1.5
283.26419	100.0
284.26654	5.7
405.94751	0.6
427.35013	0.5
508.34052	58.7
509.34354	5.1
582.30292	6.3
583.30005	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37892	0.5
57.03437	0.5
59.01380	4.1
60.13034	0.6
61.35059	0.4
61.98829	4.7
65.11524	0.6
68.99809	1.9
69.03468	0.9
70.38332	1.5
71.01382	6.6
72.99310	4.2
73.02937	2.3
75.00861	1.0
75.60922	0.5
83.01383	1.5
84.11740	0.6
85.02953	2.3
87.00876	11.1
89.02460	1.1
90.30006	0.5
91.05589	0.5
95.01370	0.7
96.99321	3.8
97.02961	1.0
99.00868	2.2
101.02450	2.0
103.05563	1.7
109.02946	0.7
111.00880	5.3
113.02436	2.3
115.00360	1.3
115.05542	3.9
117.01936	2.2
117.03476	0.9
119.05012	0.9
121.02943	0.7
123.00852	0.6
125.02426	1.3
127.00375	9.5
129.01971	3.5
131.05006	1.2
137.02374	0.6
139.00401	2.6
141.01930	1.5
147.04521	29.4
148.04836	0.7
153.01938	1.3
154.99895	0.9
157.01414	5.5
160.24553	0.6
169.01430	1.7
175.02458	2.7
181.01379	0.5
183.03001	0.6
199.02428	2.8
205.10234	2.4
207.11803	3.5
211.02504	4.3
228.91740	0.5
229.03549	2.1
233.09689	13.4
234.10100	0.8
245.71881	0.5
247.04463	0.5
251.10777	6.4
277.08704	4.0
278.09122	0.6
295.09747	100.0
296.10107	7.0
305.05078	1.5
373.93219	0.5
547.06458	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.1457
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27937	0.5
59.01374	1.5
61.98830	14.2
62.73679	0.5
65.03976	1.1
68.16418	0.5
68.99810	1.4
69.03462	0.7
70.04430	2.1
71.01376	4.6
72.99304	1.1
73.02972	0.9
81.03484	0.6
83.01382	2.3
85.02939	1.3
87.00869	7.6
95.01384	0.6
96.99329	2.8
97.02955	0.6
99.00880	1.9
101.02453	0.9
103.05528	0.8
109.02940	1.0
111.00872	4.0
113.02451	2.1
115.00364	0.7
115.05524	2.8
121.02980	0.7
123.00874	0.8
125.02441	1.1
127.00369	6.0
129.01915	2.0
129.02869	0.6
137.02460	0.9
139.00366	3.9
141.01947	1.3
147.04514	13.4
153.01883	1.0
154.99870	2.0
157.01433	5.7
161.06041	0.5
165.02008	0.8
165.05540	0.5
169.01392	1.0
175.02437	1.0
181.01421	1.1
183.02974	1.2
195.09715	0.5
199.02495	2.5
205.10179	2.4
207.11780	4.8
211.02486	5.5
229.03459	1.8
233.09673	10.8
234.10014	1.1
251.10753	10.7
277.08585	2.0
278.09146	0.5
287.03839	0.7
295.09738	100.0
296.10049	7.1
305.04947	0.7
332.54883	0.5
337.10797	2.1
367.11905	0.7
507.13525	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.9
58.00592	0.9
58.94226	0.7
59.01379	79.4
60.01716	0.9
60.30874	0.8
61.98829	11.3
62.92986	0.7
65.80022	1.0
69.03456	2.3
70.10822	2.3
70.11243	1.8
71.01379	32.5
71.63601	0.9
72.99326	2.7
73.02944	39.8
75.00877	1.8
81.03462	0.9
83.01392	8.6
85.02950	10.0
87.00872	3.4
89.02438	9.1
93.03458	5.0
95.01386	1.9
96.96030	1.2
97.02962	1.6
98.19919	0.9
99.00882	1.7
101.02439	39.1
108.45245	1.0
109.02947	1.0
111.00898	1.2
111.24377	0.8
113.02448	16.2
113.03254	1.2
114.86683	0.7
119.03520	6.1
120.99656	3.2
121.02959	5.2
122.03745	14.7
125.02439	1.9
131.03510	2.9
133.02995	1.5
136.01717	1.5
143.03500	5.0
149.02446	28.5
149.04506	7.4
150.03227	95.8
151.03629	3.9
157.06627	1.1
161.04565	13.8
162.03273	2.1
164.04800	7.8
165.05573	100.0
166.05896	3.4
177.05524	1.7
180.04298	6.6
183.10306	0.8
195.06628	55.5
196.06958	2.4
203.05675	1.4
221.06671	2.8
245.04604	1.3
263.05588	3.4
271.49048	0.9
315.08795	1.3
316.09613	2.6
331.11880	8.6
331.79678	0.9
465.23563	1.1
475.16098	42.0
476.16299	4.6
478.34232	1.0
493.17188	13.6
494.17593	1.3
523.18335	1.8
523.27362	1.7
535.18048	7.5
541.19305	3.6
583.20416	10.0
583.29688	3.4
584.21436	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2999
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	1.3
61.98819	2.0
69.54395	9.3
71.01385	7.3
78.95891	2.0
78.98587	6.1
79.95731	7.7
80.96516	56.4
81.03432	1.6
85.02927	3.0
87.00881	2.1
94.98084	16.1
96.96019	2.9
101.02425	3.3
103.84370	1.2
106.98050	2.4
114.66474	1.3
116.92911	1.4
122.97607	3.0
125.02457	2.7
134.97569	2.1
148.99118	5.7
149.64896	1.4
152.98595	6.1
164.98669	9.9
206.99654	3.0
225.00667	14.3
273.06445	1.6
281.24823	3.7
283.26346	3.8
319.61664	1.5
514.70782	1.6
581.29980	100.0
582.30768	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	581.3179
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	2.0
57.03442	1.5
59.01107	0.8
59.01382	11.3
61.98828	7.2
68.99813	1.3
69.03452	2.0
71.01383	13.0
71.67571	0.4
72.99308	3.6
73.02943	5.3
75.00880	1.1
81.03429	0.7
83.01382	4.0
85.02947	4.3
87.00881	7.1
89.02451	3.8
93.03463	6.5
95.01379	1.5
96.99300	1.5
97.02959	2.3
99.00888	3.9
101.02426	6.0
107.11665	0.5
109.02920	0.9
111.00858	3.0
113.02446	3.7
115.00400	1.0
115.04031	1.0
115.05521	1.1
115.96124	0.5
117.03490	0.8
119.03552	0.7
119.05035	8.9
120.05346	0.5
120.06216	0.4
120.69902	0.4
121.02921	1.0
123.00871	0.6
123.04543	0.7
124.01649	0.5
125.02466	2.7
127.00389	3.2
127.03983	0.4
127.11236	1.1
129.01952	2.2
130.04297	0.5
131.03537	0.5
131.05011	1.0
132.05780	0.4
133.02907	0.5
139.00397	3.0
141.01871	1.1
141.12918	0.4
143.05023	3.0
145.02896	0.7
147.04527	4.3
147.81734	0.4
151.00404	0.6
153.01942	0.9
154.99777	0.7
157.01425	2.5
163.04013	6.0
166.99828	0.7
169.01384	1.6
175.02435	0.6
181.01476	0.6
183.03032	1.1
195.08154	4.8
199.02464	1.8
205.10124	0.6
211.02455	4.2
217.02292	0.5
219.08174	0.8
221.09715	2.2
223.11240	2.3
229.03593	1.1
229.54668	0.6
241.21695	0.7
244.16136	0.5
247.74207	0.5
249.09201	6.8
250.09515	0.8
267.10257	4.5
269.03137	0.5
269.21176	1.9
285.20770	0.7
287.04092	1.1
287.22278	27.9
288.22601	1.8
293.08295	2.3
301.23892	0.8
311.09250	49.7
312.09659	5.4
431.26505	1.7
449.27524	20.7
450.27563	2.4
521.33112	1.0
563.30829	1.0
581.31763	100.0
582.32153	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	581.3205
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.2
61.98829	100.0
69.26338	0.9
69.53706	0.1
69.72478	0.1
77.43804	0.1
78.95907	0.6
81.98096	0.1
103.31218	0.1
112.11647	0.1
152.99606	0.3
166.93355	0.1
180.59082	0.1
224.06836	0.2
279.23285	1.8
280.23672	0.5
281.24005	0.3
282.24298	0.3
504.30942	1.1
505.31415	0.1
507.32047	0.3
581.26886	0.2
600.59692	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	581.3209
Annotation	Unknow
Peak:m/z	Relative Intensity
56.00208	0.1
59.01378	0.2
61.98832	100.0
62.98532	0.1
69.26517	0.2
69.26920	0.6
78.95927	0.4
87.37999	0.1
113.39895	0.1
124.67081	0.1
152.99564	0.7
179.26840	0.1
279.23300	2.3
280.23709	0.8
281.24020	0.4
282.24341	0.2
504.30838	0.8
507.32144	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2448
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44604	4.7
57.03456	5.9
59.01380	68.4
61.98834	91.7
71.01379	42.5
71.05025	8.9
71.55299	5.6
72.99313	5.3
73.02940	11.2
75.00866	9.2
79.05537	28.9
83.05035	5.8
85.02948	12.3
87.00895	6.6
87.24232	4.7
88.98817	6.6
89.02429	27.1
93.03426	4.5
93.21501	3.9
95.05010	12.5
97.02937	10.5
97.06585	33.4
99.00893	5.5
99.04515	10.1
101.02448	17.2
102.84969	4.5
107.05083	4.6
109.17789	4.4
113.02427	13.9
113.06098	4.4
115.04012	19.5
119.03514	9.1
121.02899	5.5
125.02430	6.5
125.06094	11.5
127.03994	6.3
135.02994	23.2
136.01651	7.5
139.07576	5.6
141.05608	26.2
145.06482	5.1
149.06042	8.1
150.03264	6.2
151.04001	14.0
167.07092	10.8
175.03996	8.1
179.05557	5.3
181.05142	6.3
185.62633	4.5
193.05090	10.6
205.08775	4.9
209.68396	4.6
219.02847	7.2
239.12897	16.0
253.14389	9.6
267.08789	9.1
273.32370	5.5
281.14050	6.4
283.11908	58.1
284.12347	8.1
299.15018	14.9
310.66605	4.0
317.16043	100.0
371.11411	5.1
380.39813	5.5
389.15952	8.8
401.14194	12.9
461.20004	29.0
462.20615	6.6
463.18134	44.5
464.18298	6.3
465.23535	6.4
479.21527	34.8
521.22296	98.0
522.22559	7.9
581.12354	6.9
581.20862	96.4
582.20789	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	581.2832
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69247	1.0
55.01873	2.3
55.84776	0.8
57.03442	3.4
58.00596	2.9
59.01381	50.3
61.98832	8.4
69.03442	1.2
69.81336	2.3
69.81747	3.5
71.01383	46.1
72.99304	3.3
73.02948	11.5
74.95532	1.0
75.00869	1.9
81.03455	1.2
83.01375	4.7
85.02953	16.3
87.00877	4.1
88.98804	1.1
89.02444	26.1
94.98746	0.9
95.01376	2.1
97.02962	2.3
98.19942	1.3
99.00895	5.7
101.02445	28.6
107.76793	1.1
109.02946	2.1
110.06077	1.0
111.00891	5.0
113.02451	14.4
115.03988	1.2
119.03536	1.7
121.02964	1.3
122.03745	1.0
123.04522	1.7
125.02451	5.8
129.01956	1.4
131.03496	12.3
131.25594	1.0
134.03743	5.6
135.04555	1.3
137.02455	3.2
140.52534	0.9
143.03543	2.4
144.01518	0.9
147.91344	1.2
148.07692	1.1
149.02525	2.2
149.04549	8.9
149.06033	2.1
150.03191	3.3
159.02921	1.5
161.04556	8.4
161.05806	1.7
162.03235	1.5
165.01906	2.9
165.05565	1.8
178.02724	3.0
179.03679	1.0
179.05617	1.6
180.04303	1.7
191.05655	2.4
191.07245	1.0
193.05064	11.5
195.06639	2.7
221.04559	1.7
223.06026	1.2
225.07669	2.0
227.16544	2.4
227.29050	1.3
233.06606	2.6
271.14642	1.8
286.03738	1.0
289.07217	4.4
290.07483	3.4
291.07837	2.8
293.08823	4.5
329.15094	1.4
371.11478	1.6
373.13907	5.6
389.16495	2.2
389.21832	12.6
401.11203	1.1
419.12643	1.3
419.17505	2.0
442.83908	1.0
463.16504	3.7
477.22974	1.5
491.17218	2.1
521.26068	100.0
522.26257	9.8
581.20221	5.7
581.28564	2.1
582.19727	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2813
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90532	1.0
55.01866	2.7
56.13472	1.0
57.03451	3.1
57.71597	1.1
58.00591	1.5
59.01380	49.9
61.98832	18.7
67.46401	1.2
67.94639	1.1
69.03467	2.1
69.49509	6.3
71.01383	43.8
72.99314	2.1
73.02943	13.2
75.00877	5.1
79.05510	7.4
83.01379	4.5
85.02948	16.1
87.00893	4.3
89.01936	1.4
89.02454	18.3
97.02967	2.0
97.06607	6.4
99.00877	3.7
101.02441	30.9
109.02934	1.3
111.00893	4.0
113.02463	12.4
115.04023	2.4
119.03510	1.9
123.04492	1.1
125.02438	4.5
131.03479	10.4
134.03731	4.3
135.02995	9.4
135.59447	1.3
137.02446	1.9
139.00378	1.4
141.05571	4.0
143.03511	2.1
149.02437	2.6
149.04538	6.3
149.05998	1.7
150.03235	2.9
159.02933	1.9
161.04547	7.8
164.04828	1.2
165.05566	3.8
171.10872	1.2
178.02675	2.5
191.05566	2.1
191.07147	1.9
193.05049	10.3
203.05522	1.8
233.06561	2.4
283.11865	3.9
377.12170	1.3
389.16010	4.6
389.21756	18.9
411.78986	1.4
419.17542	1.4
463.17145	7.3
521.26044	100.0
522.26434	10.7
581.20355	10.9
582.21130	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58021	1.0
53.07579	1.1
55.01878	2.0
57.03436	4.4
57.41080	1.0
58.00581	3.2
59.01380	100.0
61.98838	9.8
64.66790	1.2
69.03452	3.5
71.01382	57.3
72.99306	5.9
73.02960	6.7
75.00874	4.1
81.03453	1.5
83.01388	4.1
85.02950	12.8
87.00887	8.4
89.02446	63.0
93.03430	3.1
95.01387	5.4
96.96011	1.9
97.02940	3.5
99.00902	2.8
99.04556	1.6
101.02447	33.5
107.05046	1.5
109.02943	1.7
111.00944	2.1
111.04496	1.3
113.02454	22.4
119.02657	2.3
119.03506	31.2
119.04996	9.6
120.99599	1.2
121.02934	1.6
123.00896	1.5
125.02444	4.4
125.72574	1.2
127.00362	1.8
129.02020	1.3
131.03523	3.3
135.03009	3.2
135.04507	3.4
137.02414	2.3
138.03238	1.8
139.00407	1.2
143.03481	6.0
143.05064	1.3
147.04491	2.4
149.02448	3.0
149.04568	2.7
150.03247	2.7
151.00401	1.3
151.04010	2.9
152.04855	1.4
153.05551	1.6
161.04550	5.2
162.03249	2.3
163.03992	3.8
165.05539	4.5
166.99841	2.0
169.01376	1.3
175.03935	3.8
175.94235	1.2
176.89987	1.2
177.05495	3.6
179.05618	8.0
181.01305	1.5
187.04013	4.4
188.04744	1.3
189.05530	3.6
190.06367	2.3
191.07207	1.2
203.07068	1.8
205.05003	4.2
205.08737	1.7
211.02458	1.7
217.08496	1.2
219.06642	1.9
220.07401	4.7
223.06187	2.2
232.96588	1.3
235.09795	2.5
269.03137	1.4
301.16809	1.4
311.09222	9.2
341.10239	5.4
347.25583	1.4
356.12567	2.4
365.10202	1.5
371.15051	3.1
377.21109	1.3
389.15857	2.9
401.16068	38.1
402.16422	2.5
463.25510	19.7
473.18796	1.4
581.21429	2.8
581.30951	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	581.2242
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.9
55.85128	1.2
57.03446	1.3
59.01380	100.0
61.79396	1.1
61.80230	1.3
61.98840	6.1
68.99814	1.4
69.03454	4.1
71.01386	13.5
72.89714	1.0
72.99298	2.4
73.02941	5.2
74.99098	1.1
75.00874	10.8
77.18165	1.1
81.03470	1.7
83.01387	4.4
85.02945	7.3
87.00863	5.5
89.02434	6.7
93.03454	2.0
95.01373	3.2
96.96031	2.0
97.02988	2.2
99.00903	3.6
99.04513	1.3
99.92608	2.4
101.02423	6.2
102.98605	4.0
109.02970	2.3
111.00895	3.6
113.02457	4.2
116.92850	13.1
119.03491	1.3
119.05041	14.7
119.53188	1.1
121.02945	3.5
123.00871	1.8
125.02443	2.4
127.00375	2.1
129.01947	1.9
132.01067	1.1
135.02982	4.0
136.99146	1.5
137.02440	4.7
139.00372	3.6
141.01903	1.3
143.04977	1.1
145.02959	2.0
147.04532	3.0
149.02444	1.8
150.03238	4.5
151.00444	2.4
151.03989	3.8
153.01985	3.1
159.02959	1.2
163.03969	8.2
165.05537	3.6
166.99890	2.0
167.03415	1.8
174.03246	3.3
175.03969	12.2
176.04642	2.0
177.05525	1.7
179.03531	2.0
180.04320	5.5
183.02879	1.3
185.00981	1.8
188.04832	2.1
189.05594	5.7
190.06352	19.2
191.07124	9.9
193.05052	7.5
194.05850	5.8
195.06615	3.1
202.45395	1.3
203.07147	1.9
205.08694	14.1
206.05804	1.2
207.06631	4.3
208.07413	11.9
211.02493	2.7
222.09018	1.7
223.05995	3.4
229.04054	1.2
244.03378	2.1
245.03560	2.2
249.09210	1.5
255.02989	5.5
256.03372	3.4
257.03619	2.6
267.10217	1.9
269.03079	2.7
269.08209	5.1
269.13950	2.3
271.02515	8.4
272.02777	5.3
273.03024	6.9
283.09769	3.1
285.03629	2.5
287.04010	3.7
299.09213	6.8
300.02692	8.5
301.03030	10.4
302.03293	12.2
311.09229	19.8
314.11612	14.8
326.11691	6.1
329.10010	2.0
329.13928	39.8
330.14352	3.3
341.13919	27.5
342.14316	1.8
359.11633	1.5
374.13660	1.9
389.16043	87.5
390.16299	8.7
419.17453	2.6
449.19943	2.8
463.25479	5.5
521.25964	1.7
581.14178	28.7
581.28107	4.6
582.14386	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	581.224
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50647	2.6
54.09940	2.6
55.01870	4.8
59.01381	43.3
61.98834	23.6
65.03961	3.9
65.21973	2.5
68.99818	5.0
69.03445	8.0
69.25949	5.2
69.26357	20.5
71.01379	38.2
72.99306	8.1
73.02982	4.2
75.00904	2.9
81.03442	3.6
83.01385	15.0
85.02958	14.7
87.00870	19.1
89.02449	30.8
93.03462	12.6
95.01405	9.3
97.02973	13.9
99.00874	17.8
101.02448	20.0
105.03498	3.3
107.05004	3.2
109.02958	8.9
111.00871	25.1
111.04498	4.5
112.98763	4.6
113.02473	20.3
115.00376	4.5
119.03553	6.5
119.05025	100.0
120.05350	3.7
121.02972	8.0
123.00893	10.0
125.02468	13.8
127.00381	11.0
127.03976	2.8
129.01947	9.0
137.02441	10.3
139.00372	16.5
139.04001	4.2
141.01926	8.3
143.03485	3.3
143.05051	5.9
145.02879	4.6
147.04533	12.7
149.02444	7.8
150.03162	3.0
151.00359	5.2
153.01935	16.9
154.99878	9.0
157.01459	4.8
163.03990	41.0
165.01866	9.2
166.99850	27.3
169.01474	7.1
179.05655	4.8
180.04230	3.5
181.01393	9.6
183.02945	4.5
193.01299	6.6
195.02946	4.0
195.06573	2.8
205.05125	4.8
211.02496	21.5
219.10100	3.5
221.09692	7.7
223.02443	3.1
223.06133	9.9
223.11244	8.5
237.09213	3.7
239.02011	4.6
249.09157	7.1
251.02017	4.8
267.10315	6.7
269.02975	12.9
283.09674	4.8
287.03958	16.7
311.09265	97.3
312.09622	7.0
326.11697	11.2
341.13852	15.2
463.25449	4.6
521.33051	11.4
539.34265	3.3
581.12634	14.2
581.29889	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	581.224
Annotation	Alangilignoside C
Peak:m/z	Relative Intensity
55.01870	2.8
57.03443	2.4
57.16156	1.2
58.00586	2.1
59.01379	45.5
61.98811	4.9
69.03432	1.9
71.01380	26.3
72.99300	2.6
73.02952	7.6
74.02466	2.6
74.99047	1.3
75.00851	2.0
83.01386	6.6
85.02967	10.4
87.00850	4.6
89.02451	17.3
95.01377	3.4
97.02980	1.6
99.00867	2.5
101.02440	17.8
111.00846	2.2
113.02435	9.6
115.04017	3.1
119.03515	7.4
119.05020	2.2
123.00867	7.8
124.01674	3.6
125.02455	3.1
131.03482	1.7
137.02391	1.5
137.71167	1.2
138.03223	19.9
139.03976	2.1
143.03444	1.5
149.02451	2.3
149.04462	1.8
150.03178	3.2
151.03943	1.5
152.04770	1.4
153.05571	12.5
161.04530	1.6
163.03879	1.4
165.05547	3.6
187.03976	4.5
189.05492	1.6
195.06659	2.4
202.06346	4.8
203.07076	3.9
205.05148	1.5
207.06638	1.7
217.10602	1.6
223.06107	2.8
232.07329	1.5
233.08218	10.1
234.08688	1.6
245.09245	2.9
246.09604	2.2
247.09773	2.7
255.70801	1.4
261.25989	1.5
311.09100	1.9
313.07120	2.8
327.08875	2.5
340.09360	1.7
341.06311	1.6
341.10208	2.9
343.08160	1.9
344.08994	3.5
355.11987	3.0
356.08969	1.9
358.10526	6.9
359.11386	10.0
371.11478	8.3
373.12885	15.1
374.12930	1.6
386.13565	3.4
389.12292	5.6
401.15894	6.8
404.14545	7.5
405.15564	3.1
419.17227	40.7
420.17435	5.2
521.26306	2.4
566.19806	7.1
581.22345	100.0
582.22571	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	581.2088
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10173	1.5
55.01862	2.2
56.23694	1.6
58.82185	1.4
59.01377	43.3
61.98529	3.0
61.98831	40.4
71.01377	22.8
71.05025	5.5
72.99310	2.4
73.02952	3.0
75.00866	14.2
79.05529	52.2
85.02953	6.2
87.00882	2.9
88.98799	7.0
89.02437	22.5
95.05032	9.2
97.02946	2.8
97.06588	44.9
101.02454	11.4
111.04530	2.4
113.02470	9.3
115.04014	27.6
119.03516	6.1
123.08168	3.4
133.10190	2.6
134.03798	2.4
135.03015	36.9
141.05574	38.5
149.02478	2.3
151.03969	2.7
161.04587	2.1
165.05547	2.8
167.07175	5.7
177.09221	3.3
177.12849	3.7
179.05605	5.8
193.05089	3.3
239.09341	2.6
239.12813	7.2
279.05142	2.0
283.11865	36.4
284.12128	1.9
297.11520	1.9
317.16183	3.1
321.12085	2.0
332.39005	2.2
347.13516	2.1
373.13788	4.1
401.14459	13.2
419.15778	5.1
461.20471	2.3
463.18237	28.3
479.21820	2.4
521.22632	7.1
581.20837	100.0
582.20923	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	581.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
56.64677	1.4
57.03441	1.2
58.00589	2.1
59.01382	32.0
60.28865	1.1
61.98832	17.4
62.27548	1.1
69.03452	1.7
69.20724	4.3
69.21147	8.2
69.51112	1.0
71.01385	19.2
71.05063	1.6
72.99314	2.0
75.00871	12.3
79.05538	19.6
83.01367	1.7
83.05029	2.6
85.02940	4.2
87.00872	2.3
89.02452	17.3
91.96876	1.2
93.03486	1.4
95.01357	1.3
95.05029	11.5
96.95995	2.4
97.02993	2.3
97.06591	60.2
99.04529	2.7
101.02451	7.1
107.05035	3.6
113.02447	4.4
113.06140	1.4
113.38217	1.2
115.04015	2.2
116.92888	1.7
119.03500	5.5
121.02969	1.4
123.04588	1.8
125.02400	1.4
125.06083	4.8
135.03006	42.2
136.01683	1.8
137.02466	1.3
141.05582	38.2
165.05568	1.9
165.83891	1.3
177.09195	2.4
177.12871	1.4
179.05621	4.1
195.13966	1.7
219.06499	1.6
226.94760	1.2
239.12938	11.0
259.08368	2.4
279.05048	2.5
283.11844	32.1
284.12137	1.8
289.07126	1.1
306.19702	1.1
317.16153	6.6
321.11829	4.3
389.15799	1.2
401.14536	9.8
461.20184	1.9
463.18170	19.1
479.21198	4.7
521.21808	6.3
581.20874	100.0
582.21118	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	581.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04835	1.1
55.01867	1.9
57.03443	2.5
57.80212	1.1
59.01381	21.6
61.98829	10.1
69.03446	2.7
71.01374	14.3
72.99308	2.8
73.02945	6.2
75.00874	3.9
83.01376	2.1
85.02947	6.0
87.00877	5.3
88.98816	1.8
89.02451	12.1
93.03448	1.9
95.01404	1.4
96.96018	1.6
97.06597	1.7
98.20760	2.5
99.00883	2.4
101.02471	6.6
108.02170	1.3
111.00876	3.0
113.02458	5.3
115.00343	1.4
118.99819	1.2
119.03506	3.7
119.05040	1.5
121.02960	5.6
122.03734	2.9
123.00874	1.5
123.04512	1.6
125.02444	1.5
132.01962	1.3
134.02718	2.2
134.03749	43.4
135.03014	2.8
137.02425	5.7
138.03194	1.6
139.00375	2.7
143.03546	1.2
147.04515	2.3
149.02470	14.2
149.04422	1.1
149.04825	1.7
149.06071	19.2
150.03229	21.3
151.00395	1.5
151.03998	2.9
152.01132	1.4
153.05548	1.6
161.04538	2.3
164.01186	2.3
164.04779	4.0
165.01952	2.0
165.04158	2.2
165.05548	22.7
167.03490	2.2
175.02473	3.8
175.03943	2.1
175.07639	2.2
178.02724	23.7
179.03352	2.3
179.05646	1.7
180.04263	3.4
181.05016	1.7
191.07256	1.4
193.05048	100.0
194.05638	3.0
195.05035	1.9
195.06625	12.1
201.01979	3.3
203.03470	2.5
207.06578	1.4
209.08284	1.5
223.06155	1.9
227.03606	2.2
231.02946	2.3
231.77477	1.3
243.03075	1.8
267.06607	1.3
271.02444	26.6
272.02731	1.8
281.08716	1.3
282.09006	6.3
297.11246	2.7
299.01959	43.1
300.02353	2.9
316.02206	2.5
341.10324	8.3
347.11343	2.1
354.23804	1.3
371.11246	2.2
377.12216	3.2
389.12308	5.3
401.74268	1.3
419.11075	5.8
463.16147	44.7
464.16382	3.4
514.28351	1.4
521.26141	3.6
537.25684	2.5
581.18945	16.8
581.27875	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	581.1824
Annotation	Crinemodin-rhodoptilometrin bianthrone
Peak:m/z	Relative Intensity
61.98817	5.1
62.96418	2.2
70.71357	3.4
71.01382	1.9
78.95905	100.0
80.96580	1.5
96.95992	4.6
96.96953	3.7
99.92579	10.2
100.93364	2.2
115.92074	31.5
116.92176	1.3
116.92859	32.9
117.92904	1.8
120.97049	1.8
150.98021	3.5
152.99590	25.7
164.90495	2.3
171.00665	12.4
172.95448	6.0
178.88426	14.1
179.89220	42.0
180.90027	22.7
181.90698	1.7
183.02980	1.3
194.87938	4.3
196.89481	48.4
197.89461	2.6
204.89999	1.6
205.90694	3.3
206.91586	2.1
209.56001	1.3
221.90199	2.2
225.22296	1.5
232.80997	1.4
234.90976	1.8
235.91859	10.2
236.92609	29.9
237.93044	2.0
245.04214	7.3
252.91986	3.6
253.21631	3.8
261.03400	1.3
270.93225	3.2
276.95633	3.0
278.93634	5.6
292.95337	3.1
309.95319	2.6
310.96124	7.1
473.13663	7.4
481.25659	9.0
490.14371	8.4
533.16235	3.9
545.16162	5.5
563.17255	4.8
581.18207	68.0
582.18604	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	580.3635
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51459	0.6
56.55535	0.7
59.01105	1.3
59.01379	17.1
61.98834	11.0
63.92763	0.7
70.40165	1.7
70.40525	1.5
71.01378	1.6
78.95906	21.4
78.98608	0.8
79.95757	1.4
80.96521	7.6
94.98093	1.8
96.96002	2.1
115.92054	1.0
116.92850	1.9
152.99628	3.7
168.04303	3.4
171.00612	0.8
179.89192	2.2
180.90018	0.9
196.89511	1.9
224.06917	7.3
225.00764	1.2
236.92807	1.5
242.08023	1.7
281.24857	100.0
282.25226	5.0
324.05597	0.8
395.91574	0.8
422.09921	0.9
506.32526	59.4
507.32758	5.7
580.28705	11.5
581.18439	2.6
581.28040	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.3634
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06021	0.4
59.01380	12.9
60.06760	0.4
61.29604	0.4
61.98830	4.3
70.10594	1.8
71.01399	0.5
75.74529	0.5
78.95903	4.9
79.95745	0.6
80.96513	3.4
92.82524	0.5
94.98067	0.7
134.97571	0.5
135.80858	0.4
152.99568	1.2
164.98625	0.5
168.04327	1.2
224.06894	0.9
242.07988	2.5
281.24841	100.0
282.16360	0.4
282.25162	6.4
505.18762	0.4
506.32507	25.4
507.32962	2.2
580.28851	5.4
581.28906	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1302
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	9.5
57.03459	2.8
58.47842	1.8
59.01376	21.9
61.98834	16.2
65.03954	3.4
67.01889	4.5
68.99822	7.1
69.03457	7.6
69.38666	9.2
69.39080	4.0
71.01382	27.5
72.99308	4.7
73.02946	3.8
75.00885	3.4
81.03439	4.5
81.07764	1.7
83.01383	14.7
85.02954	10.6
87.00874	18.5
89.02464	8.2
93.03474	9.0
95.01404	5.7
95.05056	3.4
96.99275	2.2
97.02953	10.2
99.00867	13.5
100.12853	1.8
101.02465	6.8
102.98587	1.8
107.01391	2.4
107.05025	2.4
108.02148	2.8
109.02953	7.2
111.00887	24.3
111.04546	5.3
112.98815	3.4
113.02478	11.3
115.00402	5.5
116.73008	1.7
117.01949	2.3
117.03480	1.9
119.05033	100.0
120.05386	3.6
121.02973	6.4
123.00883	10.4
123.04530	3.9
124.98845	2.0
125.02450	15.1
127.00340	12.3
127.04010	3.7
129.01955	5.8
137.02435	9.0
139.00380	18.6
139.04010	5.0
141.01944	7.8
143.05070	4.0
145.01433	2.1
145.02943	2.3
147.04541	11.3
149.02461	4.8
151.00417	3.2
151.04008	3.8
153.01949	15.8
154.99904	7.1
155.03542	2.0
157.01408	6.1
161.06075	4.4
163.04010	31.5
165.01929	7.9
166.99864	30.1
167.03528	4.3
169.01428	8.0
179.03445	2.0
181.01370	8.9
183.02974	6.2
185.01054	2.0
193.01414	4.9
195.02959	3.0
197.00914	3.0
205.05089	2.9
209.00890	3.2
210.64984	2.1
211.02483	27.2
219.08131	2.5
221.00836	2.8
221.09738	8.2
222.10403	2.4
223.02524	4.9
223.11285	4.9
237.09285	5.3
249.09181	5.9
251.01965	5.8
266.81570	2.0
267.10257	11.3
269.03000	8.1
287.04089	16.8
293.08337	2.4
306.59476	1.7
311.09247	77.5
312.09546	6.6
341.14133	3.6
353.10440	2.4
463.25537	4.2
521.33289	4.7
523.12402	2.1
537.14520	2.1
581.12482	11.4
581.30627	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	579.2843
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	2.0
60.28864	0.5
61.45041	0.5
61.98831	1.1
63.39820	0.5
63.96227	1.6
69.03467	0.7
69.44576	0.5
71.01056	0.7
71.01384	7.0
71.44128	1.1
73.02942	1.9
78.95897	1.5
78.98599	6.6
79.95737	10.4
80.96515	65.9
85.02953	3.9
87.00869	2.7
89.02478	0.6
94.98092	15.7
96.96029	4.2
97.02959	1.0
101.02427	2.0
106.98055	2.6
113.02413	0.8
122.97597	3.5
125.02443	2.1
127.04092	0.6
134.97601	5.4
136.99130	1.7
148.99126	4.6
151.43190	0.6
152.98631	5.2
164.98624	10.8
182.99622	0.9
206.51729	0.6
206.99631	2.5
212.64122	0.5
225.00729	14.9
255.03033	1.2
255.23410	1.1
279.23230	2.2
281.24866	4.9
285.03989	0.7
299.04474	1.8
462.67001	0.6
506.32324	1.0
579.28400	100.0
580.28778	8.8
602.72418	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.3049
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04498	0.1
51.27164	0.1
51.38259	0.1
51.44209	0.1
59.01385	0.3
61.98828	100.0
62.98523	0.1
69.27074	0.2
69.27496	0.5
74.25028	0.1
78.95914	0.4
124.59625	0.1
152.99535	0.6
161.02563	0.1
216.55756	0.1
232.07185	0.1
255.03154	0.1
277.21701	1.9
278.22055	0.8
279.22256	0.5
280.22812	0.2
284.03314	0.1
285.04062	0.1
423.83746	0.1
502.29395	0.7
504.29919	0.1
505.30551	0.3
579.30273	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.3053
Annotation	Unknow
Peak:m/z	Relative Intensity
58.75671	0.1
59.01381	0.3
61.67261	0.1
61.98830	100.0
63.19719	0.1
63.60450	0.1
69.01269	0.1
69.26662	1.0
71.22142	0.1
78.95910	0.9
93.20250	0.1
98.20634	0.2
100.38991	0.1
136.91069	0.1
152.99615	0.3
166.91687	0.1
224.07019	0.2
277.21732	1.5
278.22064	0.7
279.22473	0.4
280.22614	0.1
502.29312	1.1
503.29681	0.1
504.30093	0.1
505.30301	0.5
579.14026	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	579.1518
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.6
58.42968	1.0
59.01383	19.5
61.98835	25.7
63.02399	12.4
65.00330	11.4
67.14838	1.1
71.01392	6.1
72.99326	3.2
73.02942	2.2
75.00872	1.3
77.11977	1.0
83.01392	11.6
85.02953	2.8
87.00883	2.6
89.02442	3.4
95.01392	2.1
96.96025	1.2
99.00864	1.4
101.02462	3.9
104.97761	1.1
105.01916	1.5
107.01398	23.4
112.39294	1.0
113.02460	2.8
121.02964	1.9
125.02476	2.5
135.00923	1.9
137.02466	1.2
143.04974	1.3
147.04549	1.7
151.00386	48.1
155.74052	1.2
157.01456	1.4
163.00407	6.0
164.01126	3.4
169.01430	5.6
178.99908	1.8
181.68936	1.0
182.07379	1.9
192.00609	1.8
197.09801	2.0
227.03465	12.0
227.10719	1.8
228.04118	1.3
229.05072	2.7
240.04242	5.7
249.09221	2.1
255.02989	20.9
256.03754	6.0
257.04306	1.4
271.02631	2.1
283.02570	2.2
284.03256	37.7
285.03931	10.3
286.04428	1.8
287.04477	1.5
287.22406	1.2
295.10327	1.4
297.04004	3.9
299.01758	2.3
300.02710	2.6
301.03287	1.7
317.11737	2.1
331.09763	4.1
333.11279	5.3
344.06784	1.5
345.07587	2.5
357.20874	1.7
359.09326	7.2
361.10867	14.9
362.11038	1.6
373.07178	2.2
387.08719	6.0
388.09503	20.1
389.10309	50.8
390.10681	3.8
415.08188	53.5
416.08594	5.2
426.22806	1.2
432.08664	3.5
433.09274	100.0
434.09512	10.8
446.08414	1.4
535.16223	4.6
535.30988	1.8
579.14886	89.4
579.29425	2.2
580.15204	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	579.1356
Annotation	Unknow
Peak:m/z	Relative Intensity
57.58142	0.3
59.01383	14.2
61.98838	0.6
63.02385	0.5
65.00353	0.7
69.62930	0.3
70.23247	1.4
72.99303	0.4
73.02941	1.8
83.01389	1.3
85.02945	1.5
89.02449	1.6
93.03481	0.7
99.00913	0.4
101.02445	2.4
102.98582	0.5
107.01395	2.1
113.02480	2.0
132.02191	1.2
135.00893	1.2
143.04999	0.8
151.00389	2.8
152.01132	0.4
163.00368	1.2
164.01114	0.5
165.05594	0.5
167.05009	0.5
171.04529	0.8
178.99820	1.5
183.04483	1.2
184.70842	0.4
185.02475	0.5
185.06018	1.2
185.25307	0.4
187.03984	1.9
190.99907	0.6
197.06041	0.5
199.03967	0.7
211.03943	2.0
212.04893	0.4
213.05510	0.8
216.39183	0.3
227.03487	40.0
228.03934	2.1
229.05067	4.6
239.03462	1.4
241.05144	0.7
255.02980	69.9
256.03574	7.4
257.04529	4.1
261.28979	0.4
283.02386	1.7
284.03253	100.0
285.03986	40.1
286.04385	2.1
327.05026	0.5
339.04877	0.5
375.85007	0.4
412.77100	0.4
429.08295	2.1
447.09195	0.5
475.21674	0.5
519.28296	5.8
537.29230	2.5
579.13550	72.5
580.13794	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	579.1355
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08838	0.8
59.01379	5.4
61.98822	2.0
62.74342	0.8
65.00345	0.7
69.03459	0.7
69.43954	4.5
69.44364	1.3
73.02926	1.1
83.01398	0.8
85.02915	0.6
86.60649	0.7
89.02421	2.1
93.03463	0.8
98.24680	0.8
101.02470	1.4
107.01372	2.7
107.71167	0.7
113.02464	0.9
135.00873	1.4
135.04523	1.8
149.02405	0.9
150.03229	1.1
151.00340	3.5
163.00351	2.3
165.05559	2.4
171.04541	1.0
176.94899	0.7
178.99797	1.3
179.43671	0.7
185.06114	1.7
187.03993	2.5
195.06580	0.7
197.06088	1.1
199.03938	1.1
211.03975	2.8
213.05521	1.7
223.06140	1.7
226.02661	1.3
227.03490	23.4
228.03726	1.5
229.05057	9.4
239.03532	1.5
240.04178	0.8
241.04991	0.9
243.02914	3.8
255.02971	44.1
256.03500	4.6
257.04465	5.8
267.02866	1.2
271.02457	19.2
272.02893	1.3
283.02347	1.0
284.03238	46.1
285.04013	74.2
286.04382	3.8
300.02728	38.6
301.03333	3.8
305.61481	0.7
327.05301	0.9
461.23785	1.7
490.45432	0.8
579.13544	100.0
580.13916	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	578.3459
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	14.4
60.75093	0.3
70.30254	0.8
71.01385	0.6
71.08836	0.3
72.88743	0.3
78.95909	5.7
78.98595	0.7
79.95745	1.1
80.96523	6.4
82.96119	0.5
85.00195	0.3
94.98093	1.3
96.96998	0.3
119.01164	0.3
129.67618	0.3
148.99072	0.4
152.98521	0.3
152.99600	0.9
164.98566	0.9
167.50351	0.3
168.04291	1.4
171.16966	0.3
175.93694	0.3
224.06921	0.9
225.00710	0.8
242.07976	2.6
247.12917	0.3
261.22314	0.5
279.23273	100.0
280.23608	7.1
494.28632	0.3
504.30945	24.9
505.31281	3.0
578.27148	11.0
579.27008	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	578.3459
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	22.8
61.98841	0.7
67.08858	0.6
70.56240	1.3
70.56602	1.0
71.01392	2.1
73.02932	1.2
78.95903	20.6
78.98582	1.6
79.95748	3.1
80.96519	16.7
80.97007	0.6
81.96455	0.7
82.96112	1.1
87.00890	0.9
94.51994	0.7
94.98100	4.2
95.58809	0.6
96.96880	0.5
106.98076	0.7
115.57323	0.5
134.97607	1.0
141.46498	0.6
148.99185	0.8
152.98581	1.4
152.99638	2.9
164.98595	3.1
168.04298	3.5
186.07587	0.6
224.06932	8.4
225.00723	2.8
226.01004	1.2
242.08000	2.4
279.23282	100.0
280.23624	6.7
291.25632	0.6
326.85666	0.6
504.30948	61.9
505.31335	4.9
578.27124	26.4
579.27130	4.2
585.72296	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.2822
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	2.3
61.98829	100.0
62.20238	0.5
69.95257	2.3
69.95596	0.6
71.01379	0.7
75.18402	0.5
82.17496	0.5
84.72994	0.5
88.17763	0.5
98.19949	0.7
100.53014	0.6
130.30112	0.5
141.99425	0.5
167.95073	0.5
172.05048	0.5
227.03543	0.8
255.03011	1.7
256.00531	0.6
256.03290	0.8
271.02527	0.7
283.02585	0.6
284.03168	2.0
285.04108	1.9
286.04541	1.4
302.18311	0.7
431.09692	1.0
432.10129	1.5
537.55707	0.6
578.16516	0.9
579.13873	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.318
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06001	0.4
55.65071	0.5
61.98831	100.0
68.20581	0.5
71.01406	0.7
71.38898	1.0
78.95917	0.5
79.95739	1.1
80.94434	0.5
80.96516	5.1
82.09731	0.5
94.98083	1.5
96.95994	0.8
101.02467	0.5
101.07251	0.4
117.33029	0.5
127.19189	0.4
134.97615	0.6
164.98724	0.5
197.18614	0.5
225.00754	0.9
279.23325	0.8
280.23773	1.0
281.24194	0.5
579.28333	7.9
583.61700	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.3181
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47936	0.3
56.55028	0.3
61.98831	100.0
62.82197	0.3
66.01800	0.3
67.17930	0.3
69.27068	2.8
71.01382	1.0
78.95930	0.6
78.98602	0.5
79.95745	0.7
80.96518	6.5
82.95421	0.8
85.02978	0.4
87.00921	0.4
94.98084	1.5
106.98103	0.4
122.97562	0.4
125.02473	0.3
134.97542	0.6
148.99182	0.4
152.98616	0.5
155.61496	0.3
164.98653	1.0
165.89351	0.4
196.89413	0.3
206.99864	0.3
225.00836	1.3
255.23346	0.3
279.23343	1.3
280.23657	0.5
281.24152	0.5
283.42206	0.3
353.93185	0.3
463.56485	0.3
579.28418	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	577.3593
Annotation	Unknow
Peak:m/z	Relative Intensity
57.64901	2.1
59.01373	11.4
61.98820	3.7
64.22616	2.2
69.11016	2.1
71.54948	2.6
80.96533	3.2
91.01038	2.1
101.02409	2.3
101.04492	2.0
168.60748	2.2
202.49574	2.3
216.88707	2.3
253.09187	11.0
281.24844	100.0
282.25226	6.9
283.02536	4.5
285.04077	7.0
299.04446	8.5
430.09589	2.5
431.09851	4.6
507.83270	2.1
529.01990	2.2
577.15308	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	577.4235
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	2.1
61.98811	1.1
62.59209	0.5
71.01401	0.6
96.96063	0.4
112.83135	0.4
229.45906	0.6
255.02882	0.7
259.20578	0.8
277.21704	100.0
278.22046	7.4
283.02423	0.8
285.04129	1.3
358.31696	0.5
431.09799	0.9
577.42358	45.1
578.42682	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	577.2869
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61634	0.6
53.97099	0.6
55.01889	4.7
57.03460	0.9
59.01381	13.0
61.98836	2.3
67.01897	1.4
69.03455	100.0
70.03799	2.0
70.33173	0.6
70.92771	1.5
71.01385	7.1
72.99303	1.8
73.02956	1.9
75.00874	0.9
79.01883	6.5
79.02254	0.7
83.01396	0.9
83.77468	0.7
85.02941	4.6
87.00858	1.2
87.04525	1.2
89.02447	4.1
95.01379	3.2
97.02940	19.5
99.00877	28.0
101.02451	4.3
109.02955	1.0
113.02440	4.8
119.03540	1.8
120.99654	0.9
123.00881	0.9
125.02455	2.0
135.02980	0.7
137.02443	1.4
141.01959	8.8
151.04018	1.2
151.11292	0.6
153.01942	0.9
161.02428	0.9
161.04564	1.2
179.05595	0.8
185.00908	91.7
186.01248	4.0
187.01349	0.9
227.03484	1.1
255.02924	4.9
283.02576	4.3
284.03287	3.5
285.04031	7.2
286.04391	0.9
289.07242	1.0
295.09897	0.9
301.03598	1.7
358.10614	2.2
373.12817	5.3
373.25934	1.1
374.13266	0.9
391.26999	43.0
392.27362	3.4
407.08136	0.9
430.09290	1.0
431.09875	5.1
445.20724	0.8
517.30286	1.0
533.25360	1.0
577.15979	3.9
577.28760	24.3
578.28461	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2879
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11576	0.3
55.01884	1.9
56.77990	0.2
57.03443	1.8
58.00594	0.6
58.22787	0.2
59.01380	100.0
60.01717	0.7
61.98830	0.8
64.14579	0.2
67.01907	0.3
69.03455	11.3
69.48176	0.3
69.75497	1.4
70.03782	1.9
71.01382	22.2
71.03876	0.3
71.15821	0.2
72.01714	0.5
72.99295	1.3
73.02947	6.9
73.11292	0.3
75.00890	0.8
78.43571	0.3
79.01901	0.9
80.02216	0.3
83.01382	3.4
84.02224	0.3
85.02954	8.6
86.00124	0.5
87.00877	1.4
89.02445	8.6
91.62022	0.2
93.03455	0.4
95.01391	2.1
97.02946	3.0
98.03297	0.3
99.00890	4.8
99.04551	0.5
100.01226	0.5
101.02445	13.6
102.02839	0.3
102.98592	2.2
105.01942	1.8
105.58874	0.3
109.02988	0.5
111.00867	0.4
113.02451	11.2
114.02754	0.4
116.84279	0.2
119.03518	2.6
121.02960	0.3
123.00882	0.3
123.04503	0.5
124.01717	0.4
125.02436	4.2
129.01997	0.4
131.03513	0.8
134.03773	0.4
137.02469	0.9
141.01984	1.7
143.03496	1.9
149.04578	0.9
159.03049	1.4
161.02457	0.9
161.04576	6.5
161.05925	0.3
161.13361	0.7
165.04071	1.7
165.05403	0.5
166.11037	0.3
175.03987	0.3
179.03642	0.2
179.05641	1.3
179.07008	0.3
185.00905	6.2
186.01283	1.8
187.01390	2.0
205.12279	1.2
207.06522	0.4
211.07680	2.8
211.17056	0.4
227.03557	1.0
249.11375	1.0
255.02986	2.3
256.03589	0.3
283.02393	2.3
284.03262	1.2
285.04037	3.1
289.07187	1.8
326.94992	0.3
355.21347	1.0
373.12863	1.4
373.22040	1.3
391.27252	0.6
407.07797	0.9
425.08975	0.4
429.17798	0.8
430.09018	0.4
431.09750	1.8
459.22543	0.3
474.31857	0.3
517.26526	22.5
518.26813	3.3
535.27551	11.5
536.27856	1.4
561.84656	0.3
577.15344	1.5
577.21899	1.2
577.30347	1.4
578.22144	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2869
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	4.6
57.03442	3.8
58.00594	2.4
59.01380	100.0
61.98829	13.3
69.03458	92.7
69.44454	8.9
70.03787	1.7
71.01382	60.7
71.01778	3.2
72.01704	1.4
72.99312	9.3
73.02948	8.0
75.00864	3.4
79.01901	4.9
82.61045	1.4
83.01385	4.2
85.02954	15.7
87.00877	6.1
88.98811	1.8
89.02444	64.1
91.03523	1.2
93.03423	1.6
95.01402	8.1
96.96023	3.4
97.02951	17.3
99.00883	25.5
101.02442	35.1
102.98595	4.1
105.01943	1.7
105.71634	1.2
109.02946	2.3
113.02448	26.6
113.48339	1.4
117.01977	1.5
119.03504	29.2
123.04559	1.7
125.02419	6.7
131.03493	4.8
134.03712	2.0
135.02986	6.9
137.02431	2.1
141.01915	6.3
143.03563	6.9
149.02390	1.8
149.04504	3.1
150.03200	6.1
151.03958	2.2
161.02464	1.7
161.04536	6.3
165.01915	1.5
165.04318	1.3
165.05544	6.4
172.73761	1.4
174.92859	1.5
179.05626	10.1
179.07060	2.5
181.05045	1.8
185.00911	86.8
186.01279	3.8
195.06604	2.2
205.12315	2.4
227.03549	7.1
249.11417	1.8
255.02986	23.1
256.03442	3.9
271.02243	1.5
283.02417	16.3
284.03265	25.9
285.04041	27.5
286.04443	2.3
289.07162	3.0
295.09698	4.0
300.02634	3.2
301.03571	3.0
337.74036	1.6
355.11792	1.8
373.12866	3.5
391.27045	29.6
392.27408	2.8
397.22662	1.9
405.67365	1.5
407.07523	2.7
415.23346	2.2
425.08798	1.6
430.09195	4.0
431.09760	13.7
432.10022	2.8
451.10678	1.5
455.16922	1.5
459.21979	1.7
470.69830	1.7
517.29877	2.8
577.14679	18.6
577.28583	39.1
578.15802	3.0
578.28906	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	577.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47093	0.2
51.16043	0.2
55.01883	1.5
56.76359	0.2
57.03436	1.4
58.00609	0.3
59.01377	100.0
60.01716	1.0
61.98824	0.5
69.03446	1.3
69.18135	1.5
69.18559	0.9
71.01380	16.0
72.99306	0.9
73.02943	4.9
75.00874	0.6
75.02903	0.2
77.02120	0.2
83.01383	2.4
85.02947	7.7
86.24780	0.2
87.00882	1.6
89.02438	4.0
89.02942	0.4
89.71364	0.2
95.01394	2.0
97.02954	0.7
99.00879	2.0
99.04526	0.2
101.02441	10.8
102.02813	0.3
105.01952	1.2
109.02996	0.3
111.00885	0.5
112.01681	0.5
113.02444	8.0
113.27393	0.2
118.59753	0.3
119.02780	0.2
119.03499	1.5
121.02908	0.3
124.01627	0.2
125.02428	1.4
129.01945	0.3
131.03494	0.4
142.02676	0.2
143.03497	1.7
149.04590	0.7
150.03018	0.2
157.91345	0.2
159.02974	1.5
161.02502	0.3
161.04549	6.4
161.13426	0.3
165.04063	2.2
179.05650	0.7
185.00887	0.5
205.12393	0.9
211.07625	2.4
211.17020	0.4
249.11362	0.8
250.95403	0.3
285.03928	0.4
350.05728	0.3
355.21402	0.9
373.22421	1.0
416.55121	0.2
429.17865	1.0
471.12930	0.3
517.26508	23.6
518.26678	2.0
535.27582	8.6
536.28192	1.0
577.21033	1.7
577.29797	0.4
578.21851	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09881	0.9
55.01879	1.5
57.03441	3.0
57.89724	0.9
58.60012	0.9
59.01381	100.0
60.01675	1.2
61.98836	9.7
67.00809	1.0
69.03449	2.0
69.39040	0.9
71.01384	23.3
71.56243	1.7
72.99302	2.8
73.02946	14.7
75.00887	1.0
83.01373	4.2
85.02943	7.8
87.00878	4.4
88.98811	1.2
89.02441	8.5
95.01395	2.5
97.02951	1.5
99.00881	4.1
101.02449	19.3
108.02188	1.0
109.02947	2.5
113.02442	12.3
113.03156	1.3
119.03489	4.3
119.93671	1.0
121.02964	1.2
123.04521	1.7
125.02461	10.4
135.02997	2.1
137.02431	3.5
143.03506	2.1
149.04532	1.5
151.03989	2.5
159.04411	1.6
161.02487	2.7
161.04550	8.2
161.05818	1.8
168.27155	1.1
179.05612	3.4
185.00932	1.6
187.03943	1.5
213.05547	2.0
227.03496	2.6
229.04938	1.5
238.36839	0.9
240.13255	1.1
245.08311	1.1
255.02982	14.4
256.03351	1.8
257.04541	1.9
283.02457	27.9
284.03082	3.9
285.04053	36.9
286.04260	4.1
289.07101	6.8
373.25775	1.9
389.25052	1.6
407.07605	7.3
415.23468	3.4
425.08884	2.6
430.08899	5.1
431.09805	25.0
432.09909	2.0
444.77051	1.1
447.23547	3.3
475.29224	1.1
517.29767	4.2
533.23969	3.9
535.30988	2.3
577.15533	12.8
577.32446	30.2
578.15619	2.4
578.33075	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	577.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28232	1.6
55.01885	1.4
57.03446	2.6
58.00584	4.6
59.01380	100.0
69.03455	12.9
69.30831	1.4
69.73972	1.5
71.01383	51.1
72.99300	4.1
73.02927	1.8
73.03321	1.3
73.47440	1.4
75.00853	5.2
81.07076	2.0
83.01376	2.6
83.11971	1.4
85.02958	13.0
87.00874	10.5
89.02447	56.7
95.01366	5.1
97.02946	3.5
97.60989	1.5
99.00887	5.1
99.04532	4.7
101.02435	32.0
105.01941	8.9
111.04509	2.1
113.02451	18.5
119.03503	25.2
125.02361	1.7
129.01945	2.0
131.03511	2.1
135.02994	3.2
135.04471	1.5
141.01929	1.7
143.03488	3.5
147.02975	5.1
149.04536	2.8
161.04515	5.1
161.13312	10.3
163.24220	1.5
165.04056	40.9
165.05437	2.4
179.05585	13.3
185.00931	12.2
187.11320	2.9
205.12326	38.8
206.12714	2.6
249.11301	40.7
250.11569	2.8
255.02907	2.2
283.02484	5.0
285.04156	4.0
385.18759	2.3
391.27069	5.0
397.14963	4.8
429.17630	35.3
430.18082	3.3
430.62784	1.4
431.09668	5.2
577.21338	88.0
577.28650	7.6
578.21265	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	577.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13886	0.9
55.01858	2.0
57.03442	2.4
58.00584	1.8
58.99617	1.0
59.01377	72.8
61.98804	1.8
64.72060	0.8
69.03449	6.3
69.84959	1.1
71.01381	37.0
72.99305	4.5
73.02935	3.3
75.00874	11.2
83.01395	2.4
85.02958	10.6
87.00872	9.0
89.02440	37.1
95.01402	2.3
97.02946	1.4
98.19873	3.2
99.00873	4.3
99.04513	4.1
101.02443	23.1
102.98590	4.6
105.01930	9.6
106.79938	0.9
107.65039	1.0
113.02454	13.7
117.01938	1.3
119.03504	13.4
120.52551	0.9
125.02433	2.2
128.90161	2.7
129.01936	1.8
134.03670	1.3
135.02998	28.3
143.03497	2.9
147.03018	5.4
149.02435	0.9
149.04533	1.0
150.03195	1.5
150.06834	1.2
161.04555	3.4
161.13344	10.6
165.02737	1.8
165.04051	24.5
165.05438	1.7
167.33847	0.9
178.02811	1.2
179.05629	8.5
185.00887	5.7
187.11288	1.9
193.05049	2.8
194.57921	1.0
195.06714	1.9
205.10553	1.9
205.12335	28.4
206.12657	1.8
249.11308	30.3
250.11598	1.3
255.03021	2.5
283.02423	3.1
285.04019	6.4
385.18668	1.5
391.26938	2.3
391.60898	1.1
397.15030	3.2
415.15720	1.1
429.17606	16.0
430.17831	1.7
431.09662	2.7
517.26367	5.0
535.27521	4.1
536.28339	1.0
577.21326	100.0
577.28137	4.5
578.21564	12.2
578.29779	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1563
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	16.6
69.03461	1.5
71.01377	8.9
75.00864	3.1
83.01411	0.9
85.02947	2.3
87.00864	2.0
89.02448	9.2
93.03497	1.1
97.02954	0.9
99.00862	1.0
99.04475	0.9
99.28588	0.9
101.02456	5.9
105.01941	1.7
107.01423	1.1
113.02452	3.5
119.03503	4.9
129.01924	1.3
131.54608	0.9
143.03455	1.0
143.05048	1.3
147.02950	1.3
148.49571	0.9
151.00285	1.1
153.01920	1.1
154.04256	2.0
155.05014	0.9
161.04588	1.0
161.13379	3.7
163.00394	1.0
165.04050	11.0
167.05008	0.9
169.06587	3.0
179.05557	2.4
183.04526	2.6
185.00967	1.7
185.06093	1.9
187.03983	2.2
189.05547	2.5
205.12346	8.6
211.03934	2.0
213.05511	2.7
214.02693	1.2
215.03589	1.4
227.03470	4.4
229.05051	1.9
239.03510	1.1
243.03032	1.4
249.11272	8.3
255.02989	38.2
256.03394	2.2
257.04510	3.5
283.02472	80.2
284.02991	7.2
285.04037	100.0
286.04367	7.2
391.27090	2.0
397.15021	1.0
429.17627	10.4
430.09021	16.8
431.09793	68.0
432.10199	4.6
459.22061	3.3
475.18387	0.9
577.14459	29.4
577.21637	6.3
578.15674	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1562
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.7
57.03447	1.7
58.00591	0.8
59.01377	34.0
61.98839	2.6
69.03458	27.2
69.19144	1.4
69.19561	6.0
70.03801	0.7
71.01376	16.4
72.99319	2.4
73.02964	4.0
79.01903	1.3
83.01383	1.9
85.02938	5.4
87.00889	1.9
89.02445	12.9
95.01391	2.6
96.95987	0.7
97.02946	6.8
99.00880	9.6
100.80461	0.7
101.02441	9.7
102.98592	0.8
107.01378	1.4
113.02453	10.0
119.03500	5.8
125.02465	3.9
135.00949	1.3
135.03004	1.1
135.98326	0.9
141.01962	2.5
143.03548	1.0
147.04468	0.8
149.04573	0.9
151.00380	2.0
151.03983	1.0
161.02411	0.9
161.04579	2.2
162.03259	0.7
163.00334	0.7
171.81229	0.7
177.37503	0.7
178.99869	1.6
179.05626	2.2
183.04535	1.3
185.00912	26.8
186.01326	0.9
187.03951	1.0
193.05077	0.9
211.04068	1.1
227.03485	35.0
228.03865	2.1
229.05058	2.2
239.03416	0.9
243.02808	1.0
255.02972	69.8
256.03561	7.4
257.04462	1.8
271.02405	0.8
283.02432	6.4
284.03250	100.0
285.03961	23.3
286.04349	1.2
289.07242	1.8
295.09708	6.8
301.03534	1.2
358.10675	0.7
365.61020	0.7
373.12915	3.6
391.27005	10.3
407.07584	1.7
413.08612	1.3
415.23346	1.6
430.09015	1.9
431.09961	5.3
432.10046	0.8
459.16687	1.6
517.26263	8.3
527.61725	0.8
535.20313	1.2
535.27606	13.5
536.27899	1.4
577.15546	60.8
577.28479	7.8
578.15961	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	577.1563
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14296	0.4
50.68582	0.3
57.08257	0.3
59.01389	0.7
65.00347	0.7
70.69776	1.0
83.01391	0.6
89.02441	0.4
93.03476	0.9
94.50559	0.4
97.02868	0.3
101.02474	0.4
102.98589	0.9
107.01405	0.7
114.20046	0.4
115.81007	0.3
117.03469	1.1
128.90227	0.3
143.05016	0.5
145.02971	0.4
151.00371	1.3
154.04251	1.1
155.05037	0.8
159.04472	0.9
163.00420	0.4
165.04071	0.6
167.58554	0.3
169.06650	2.5
171.04472	0.6
173.02411	0.8
183.04509	2.2
185.06166	1.7
187.03992	1.5
189.05600	1.5
197.05997	0.3
199.03979	0.4
211.03960	2.6
213.05550	2.5
214.02687	1.2
215.03445	1.2
227.03481	4.4
229.04994	1.2
239.03464	1.3
241.04936	0.6
243.02963	1.4
255.02977	33.1
256.03482	2.3
257.04605	2.8
283.02475	71.9
284.03085	7.7
285.04041	100.0
286.04333	5.8
430.09012	16.9
431.09793	62.0
432.10159	4.5
529.93140	0.3
545.11218	0.4
577.15527	32.0
578.15961	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	577.1568
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	3.6
57.03440	3.1
58.00581	1.3
59.01381	100.0
60.84277	1.1
61.98829	7.1
67.01891	1.2
69.03461	24.0
71.01383	41.2
71.55375	1.4
72.99313	4.8
73.02933	9.2
75.00890	4.7
76.92635	0.9
79.01886	1.4
83.01375	5.5
85.02946	12.2
87.00878	2.9
89.01926	1.8
89.02450	23.8
92.24520	1.0
93.03442	1.2
95.01387	4.4
96.95995	0.9
97.02953	6.2
99.00886	9.1
99.04497	1.7
101.02451	27.0
102.98589	4.7
104.98175	1.4
109.02962	1.4
111.00844	1.9
113.01720	1.4
113.02458	20.2
119.03502	11.0
121.02950	2.2
122.03735	2.5
123.04532	1.8
125.02441	4.1
125.03394	0.9
129.01941	1.4
131.03473	1.5
134.03748	7.6
135.02969	3.7
135.04539	1.3
135.98317	1.5
141.01938	1.8
143.03494	3.7
147.03000	1.2
149.02423	4.1
149.04524	1.4
149.06038	2.0
150.03235	10.9
151.00400	1.4
151.03915	1.1
159.02953	3.2
161.02534	1.4
161.04558	7.7
161.13287	1.2
164.04822	1.3
165.04007	5.4
165.05553	9.8
166.02780	1.2
173.13387	1.5
178.02692	3.0
179.05563	3.9
181.05095	1.8
185.00909	21.0
193.03377	1.2
193.05064	17.5
195.06628	6.3
205.12288	3.4
211.07584	1.3
239.10767	4.7
248.10400	1.2
249.11319	2.4
255.03065	5.4
263.13022	1.7
282.08682	1.2
283.02478	9.4
285.04056	16.8
286.04385	2.0
289.07373	1.5
307.11981	1.1
341.10321	5.9
373.22153	1.5
379.09698	1.1
391.27100	7.6
397.18600	12.7
415.14941	1.1
415.23056	1.6
425.17209	0.9
429.17505	3.6
430.09152	3.4
431.09882	14.1
432.10211	1.4
441.19058	2.6
459.22394	1.5
489.13986	4.9
517.26526	46.0
518.26959	4.5
533.20386	1.4
535.27527	24.6
536.27850	2.5
577.14478	2.1
577.22467	4.5
577.29712	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	577.1563
Annotation	Kaempferol-3,7-O-bis-alpha-L-rhamnoside
Peak:m/z	Relative Intensity
51.00714	0.3
55.01875	0.4
57.03446	1.7
58.25403	0.4
59.01381	4.9
61.98825	3.4
63.02422	0.6
65.00349	0.6
69.03468	1.5
69.62894	1.7
69.63320	0.7
71.01393	2.4
73.02961	1.0
75.00868	0.6
78.26120	0.4
81.03471	0.5
83.01394	1.3
85.02970	0.9
87.00890	1.0
89.02450	2.2
93.03478	1.2
95.05051	0.4
96.96010	0.4
97.02959	0.7
99.00925	0.6
99.04530	0.8
101.02481	1.6
107.01402	1.0
109.02962	1.9
113.02465	1.2
117.03455	0.9
119.03488	0.6
119.05070	0.3
121.02952	0.8
123.04527	1.0
125.02447	9.4
125.23005	0.3
127.09657	0.4
135.03038	0.7
137.02446	2.0
141.03381	0.3
145.02957	0.5
149.04619	0.5
151.00375	1.1
151.04034	1.2
154.04262	1.1
155.05051	0.6
159.04544	1.5
161.02443	2.1
161.04605	0.4
163.00421	0.6
164.01167	0.6
165.01929	1.3
165.04060	0.5
167.03503	0.4
167.10904	0.4
169.06616	2.5
171.04486	0.8
173.02406	1.0
175.04082	0.4
179.03671	0.5
179.05444	0.4
180.75034	0.4
183.04498	2.8
185.00961	0.6
185.06110	2.4
187.03995	1.8
189.05626	2.1
195.04530	0.4
197.05997	0.4
199.03987	1.2
201.05540	0.7
203.07208	0.4
205.05159	0.6
211.04022	2.0
211.07593	0.7
213.05521	3.1
214.02800	0.9
215.03470	1.2
227.03496	5.3
229.05075	2.1
239.03514	1.1
241.05037	1.1
243.03040	1.9
245.04527	0.5
245.08110	0.7
255.02977	36.1
256.03510	2.4
257.04480	2.6
283.02475	69.1
284.03094	7.5
285.04037	100.0
286.04385	6.3
289.07199	3.7
297.13361	0.5
327.04816	0.7
381.10391	0.4
407.07678	2.7
425.08743	1.0
430.09030	15.3
431.09805	63.2
432.10083	5.8
435.35812	0.4
448.53842	0.4
451.10333	0.8
459.22971	0.6
517.26514	0.6
577.15491	33.8
578.16083	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.135
Annotation	Procyanidin B3
Peak:m/z	Relative Intensity
54.76321	0.7
56.86474	0.8
57.03447	15.6
59.01394	0.8
65.03948	1.1
67.97751	1.0
70.04285	0.9
70.31992	1.0
70.32338	3.0
70.49397	0.9
71.01374	1.1
81.03431	1.3
83.01392	5.1
86.53782	0.9
93.03453	1.8
94.46646	0.9
95.05002	1.8
97.02948	4.1
99.02171	0.9
107.04991	1.7
108.02211	1.1
109.02947	19.7
117.03468	1.4
121.02924	3.0
122.03690	1.4
123.04520	14.3
125.02448	100.0
126.02785	2.6
131.05026	1.1
133.02966	4.8
135.04521	2.6
137.02451	19.1
138.02849	0.8
139.03989	2.3
145.02960	1.8
146.03711	1.3
147.04486	2.0
149.02463	4.7
151.04028	12.5
158.39050	0.8
159.04491	3.5
161.02438	28.8
161.06049	3.1
162.03146	2.4
163.00369	2.1
163.03969	3.6
164.01151	4.5
165.01920	4.9
167.03362	1.4
173.06088	1.0
175.04004	11.6
175.07655	1.5
177.01949	5.6
177.05525	1.7
179.03514	5.1
185.06041	1.1
187.04004	6.2
188.04688	3.5
189.01935	1.0
193.05000	1.3
201.05499	1.3
202.06358	2.1
203.03473	1.6
203.07135	10.6
205.01355	2.6
205.05038	8.1
211.03929	1.7
213.05370	1.2
215.03540	1.5
221.08124	2.1
225.05524	1.0
227.03445	1.7
227.07098	2.0
228.04202	1.6
229.05045	1.9
230.05841	1.1
231.02917	0.9
243.02872	2.5
245.04466	4.5
245.08176	12.5
247.05963	1.0
255.02953	8.0
256.03647	4.9
257.02005	1.2
257.04340	4.1
269.04562	2.7
273.04132	4.8
280.92441	0.9
281.04559	3.1
282.01642	1.0
283.02341	1.9
285.04047	2.6
287.05627	7.4
288.02863	1.0
288.06097	1.5
289.07172	67.3
290.07443	3.6
297.03986	1.3
299.05676	5.6
329.06812	2.6
339.08554	4.5
363.08847	1.2
381.09778	3.7
407.07684	58.3
408.08191	4.8
425.08765	18.2
426.09271	1.9
451.10303	10.4
452.10303	1.0
577.13635	4.8
591.98358	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
56.25254	0.9
57.03452	18.2
69.03450	1.1
75.83572	0.9
81.03459	2.4
83.01407	4.1
93.03478	1.7
95.01404	1.2
95.05027	2.9
97.02973	4.2
107.05022	2.3
108.02211	1.6
109.02951	22.9
121.02953	3.2
122.03748	2.1
123.04525	12.4
125.02448	100.0
126.02782	3.8
133.02954	4.1
135.04539	2.5
137.02449	19.0
139.04013	3.9
144.47174	1.0
145.02824	1.4
146.90845	0.9
149.02429	5.4
151.03970	11.5
157.06610	1.5
159.04500	3.8
160.05247	1.6
161.02438	29.0
161.06071	4.4
162.03162	3.5
163.00334	2.0
163.03960	2.8
164.01146	4.0
165.01942	4.7
167.03513	1.4
175.03984	9.1
175.07629	1.6
177.00554	1.2
177.01883	5.8
179.03473	4.2
185.06100	1.0
187.04018	7.7
188.04715	2.9
190.02660	1.0
197.06100	1.4
199.03998	1.3
201.05600	1.3
202.06355	1.5
203.07114	10.3
205.01389	2.3
205.05061	9.2
213.05449	1.2
215.03491	1.4
217.05093	1.9
220.07272	1.0
221.45674	0.9
225.05479	1.2
227.03479	1.4
227.07185	2.3
229.05038	4.5
243.03014	2.9
245.04518	4.3
245.08223	13.3
247.05922	1.2
255.02972	6.9
256.03787	4.5
257.04507	2.2
269.04422	2.4
273.03983	3.7
281.04764	2.4
285.03992	2.9
287.05637	8.2
288.02798	1.3
289.07159	73.6
290.07544	3.2
299.05588	5.3
329.06583	1.3
339.08557	3.4
376.92621	1.1
381.09760	3.5
386.59772	1.2
387.24036	1.2
407.07675	56.7
408.08176	4.5
425.08749	20.2
426.09116	1.6
451.10300	12.9
545.95367	1.1
577.13544	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	576.3021
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42281	0.4
57.57128	0.4
59.01392	0.4
61.98829	100.0
63.88827	0.3
71.01385	1.3
78.98583	0.8
79.95713	1.8
80.96511	11.4
87.00864	0.4
94.98069	2.6
98.18230	0.4
98.20718	0.9
106.07880	0.3
106.98120	0.6
122.97597	0.6
125.02444	0.4
127.04069	0.3
134.97635	0.8
145.14223	0.4
148.99179	0.9
152.98668	1.1
164.98622	1.8
225.00671	2.1
229.55794	0.4
280.22870	0.4
299.04535	0.7
408.47061	0.3
538.81317	0.5
540.89313	0.4
577.26819	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	576.3305
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	48.4
69.42260	3.6
69.42664	0.8
69.70124	0.6
71.01379	1.8
78.95907	10.6
78.98592	1.3
79.95735	2.7
80.96514	15.6
94.98093	3.7
96.95998	0.5
98.19912	0.9
101.02479	1.0
121.02974	0.9
124.99099	0.6
125.02392	0.6
125.27367	0.6
134.15221	0.5
134.97598	0.7
136.99310	0.5
140.01222	2.8
148.99129	0.7
152.98572	1.0
152.99637	1.4
164.98619	2.1
196.03792	1.3
202.36649	0.5
214.04860	3.4
225.00725	2.3
270.10849	0.6
277.21811	1.0
279.23346	0.6
299.50073	0.5
347.25854	9.0
348.26080	0.8
379.28519	100.0
380.28845	9.6
513.15424	0.7
576.33069	8.6
577.26746	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	576.3306
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78942	0.3
59.01382	22.9
69.01665	0.4
69.22735	3.7
69.44081	0.3
71.01389	0.4
72.75745	0.3
74.17918	0.3
78.95907	22.8
91.26105	0.3
122.98550	1.0
138.79852	0.4
152.99594	3.3
168.04317	3.5
171.79349	0.4
180.70128	0.4
190.63425	0.3
194.05905	0.4
224.06935	10.6
225.07378	0.5
233.22672	0.4
242.08032	2.9
242.98178	0.3
259.20728	0.5
277.21713	100.0
278.22098	7.4
297.71774	0.4
314.76077	0.4
347.12836	0.4
378.28812	0.4
502.29404	78.7
503.29724	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3305
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	16.6
61.98830	0.5
69.12852	0.2
69.23022	1.7
71.01399	0.4
78.95905	6.6
82.44525	0.2
89.42185	0.2
97.50829	0.2
107.18905	0.2
123.36113	0.2
127.07621	0.2
152.99594	1.5
163.11185	0.2
168.04320	1.3
211.52158	0.2
224.06854	1.0
233.22630	0.2
241.54005	0.2
242.08006	3.4
259.20651	0.5
275.20154	0.3
277.21713	100.0
278.22055	7.6
502.29395	29.4
503.29742	3.3
560.26923	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	14.4
70.57723	2.4
81.03439	2.1
83.01388	5.0
85.02949	0.9
95.05005	1.7
97.02975	5.5
107.05029	1.2
109.02959	23.2
121.02931	4.4
122.03727	1.7
123.04527	15.0
125.02446	100.0
126.02763	2.1
126.59097	1.1
133.02930	4.7
135.04509	2.7
137.02448	20.2
139.03972	3.8
145.03012	1.4
149.02425	4.5
151.03040	1.2
151.04022	12.1
159.04489	3.2
161.02440	25.2
161.06090	4.3
162.03180	2.2
163.00359	1.8
163.03996	2.8
164.01141	4.2
165.01884	5.3
167.03505	1.6
172.17712	1.1
173.06004	1.7
175.03999	11.6
175.07607	1.7
177.01949	5.4
179.03482	4.8
183.04561	1.4
187.04021	7.4
188.04823	2.2
189.05527	1.2
193.05101	1.2
201.05544	1.8
202.06296	2.7
203.03462	1.6
203.07108	8.8
205.01416	1.6
205.05040	8.4
211.03984	1.6
221.08113	1.9
224.40543	1.1
227.03542	2.1
227.07027	2.7
229.04965	3.1
243.02974	2.7
243.06488	1.1
245.04494	5.9
245.08121	11.0
255.02943	10.8
256.03699	6.5
269.04465	1.9
271.06027	1.4
273.03952	2.8
281.04529	3.0
283.02502	1.8
284.03235	1.3
285.04022	4.1
287.05643	6.9
289.07181	59.1
290.07492	2.8
297.04111	1.4
299.05496	4.8
316.74478	1.2
329.06619	1.8
339.08688	3.0
381.09839	1.7
407.07697	58.9
408.07761	6.3
425.08771	18.6
426.09076	1.5
451.10358	9.9
452.10709	1.5
542.52264	1.1
577.13367	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	577.1352
Annotation	Robinetidinol(4alpha-6)catechin
Peak:m/z	Relative Intensity
57.03447	12.5
59.01381	1.5
59.98310	0.8
66.03027	0.7
69.94116	4.1
81.03442	1.9
82.46082	0.8
83.01385	4.5
93.03468	1.7
95.05038	2.1
96.96027	2.1
97.02966	3.9
105.03436	1.2
107.05055	1.4
109.02957	18.5
116.43212	0.9
117.03456	1.0
117.05558	1.2
119.05016	1.4
121.02972	3.2
122.03762	1.8
123.04526	13.3
124.04930	1.0
125.02449	100.0
126.02817	1.9
129.46280	1.0
133.02939	4.2
135.04491	2.2
137.02449	19.3
139.03998	1.7
145.02977	0.9
146.03732	1.4
149.02440	4.3
151.04015	11.6
151.32936	0.9
159.04483	2.3
160.05292	1.8
161.02437	26.6
161.06050	4.5
162.03247	2.1
163.00386	2.5
163.03992	4.2
164.01178	4.4
165.01950	4.2
167.03468	1.0
173.06065	0.9
174.03293	1.0
175.04005	8.4
175.07622	1.8
177.01933	6.1
177.05501	1.0
179.03455	4.7
187.03999	6.4
188.04773	3.2
193.05019	1.3
199.03923	1.3
201.05545	2.1
203.03566	1.6
203.07140	10.6
205.01370	2.8
205.05028	6.9
212.04897	1.0
213.05612	2.1
215.03352	1.7
217.05075	1.3
221.08157	2.0
227.03502	1.4
227.07185	1.7
228.04117	1.0
229.05037	3.2
231.02956	1.4
231.06737	1.0
243.02969	2.3
245.04547	5.6
245.08199	13.2
247.06133	1.7
253.04965	1.4
255.03018	8.6
256.03680	5.0
257.04526	2.0
269.04523	1.2
269.79904	0.9
273.04111	5.5
281.04547	2.5
285.04001	3.0
285.07126	1.2
287.05618	7.8
289.07178	79.0
290.07483	4.2
297.04102	1.3
299.05655	4.6
331.08231	0.9
339.08716	4.3
381.09665	2.6
407.07721	60.0
408.08066	5.6
425.08768	20.3
426.09351	1.9
451.10303	14.9
452.10678	1.5
501.66406	0.9
559.12915	1.0
577.13550	6.5
581.95776	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.3075
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97294	2.0
51.51309	2.2
59.01390	15.0
61.98830	100.0
67.87580	2.0
69.45424	17.9
71.01380	23.2
72.63917	2.0
73.02955	4.5
85.02944	6.9
87.00870	2.3
89.02448	10.0
94.64708	2.2
97.06522	2.4
98.20660	3.9
99.00860	4.1
101.02454	11.6
105.18410	2.0
113.02457	6.7
125.02446	3.6
128.19391	2.6
150.53673	2.0
161.04559	5.5
200.44241	2.3
323.04083	2.4
329.97687	2.4
341.23141	3.4
383.24326	4.5
515.28638	50.9
516.29041	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	576.2659
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	2.8
61.98830	100.0
62.40873	0.8
71.01384	3.8
72.99349	0.8
85.02986	1.2
87.00867	0.8
97.31944	0.7
101.02473	1.1
125.02464	1.6
151.26335	0.7
208.44617	0.7
232.93222	0.6
255.03064	2.1
263.20135	0.8
280.32938	0.7
283.02567	3.1
285.04056	4.4
301.18112	1.5
430.09146	1.0
431.09866	2.8
516.28821	3.9
577.15887	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3022
Annotation	Unknow
Peak:m/z	Relative Intensity
55.75187	0.4
61.98831	100.0
67.28542	0.4
71.01402	1.0
78.98582	0.9
79.95741	1.0
80.96520	7.1
80.96955	0.6
94.98097	1.6
98.20680	1.6
106.98074	0.5
122.97669	0.4
131.55841	0.5
134.97597	0.6
148.99135	1.0
152.98627	0.6
164.98613	1.4
225.00792	1.7
277.21878	0.8
278.22174	0.7
299.04852	0.4
378.86761	0.5
412.46161	0.4
577.26801	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	575.271
Annotation	Atractyloside I
Peak:m/z	Relative Intensity
55.01872	1.0
57.03421	1.6
58.00591	1.1
59.01379	30.5
60.93184	0.5
60.99285	0.6
61.98542	0.5
61.98835	8.6
62.85690	0.5
69.03465	3.3
71.01383	21.1
72.99313	4.3
73.02952	4.5
74.60709	0.5
75.00867	0.8
83.01367	1.9
85.02540	0.6
85.02954	6.6
87.00888	2.9
88.15044	0.5
88.98792	1.8
89.02451	12.3
95.01386	1.5
96.96004	1.0
97.02930	0.6
99.00851	2.0
101.02436	10.9
105.01909	0.6
111.00864	0.8
113.01829	0.5
113.02458	6.5
115.00374	0.7
117.01928	1.2
119.03517	5.1
119.05020	0.6
123.08132	0.5
125.02431	1.6
125.09688	0.6
129.36143	0.5
131.03441	0.7
135.03023	5.9
137.02403	0.7
140.12680	0.6
143.03490	1.1
147.04462	1.4
161.04553	2.6
179.05626	2.5
185.00841	1.5
221.06825	0.6
233.09592	1.7
233.15453	10.2
251.10687	0.7
251.14595	0.5
251.16609	5.5
255.03076	0.6
277.08508	0.9
285.03833	1.2
295.09827	4.9
337.10898	0.6
353.23163	0.9
389.25330	1.2
395.20502	0.5
413.11984	0.6
413.21790	8.4
414.21957	0.8
457.20642	0.9
489.30505	1.6
515.28479	1.4
531.27649	0.7
533.29034	0.8
575.26965	100.0
576.27313	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	575.1405
Annotation	Maysin
Peak:m/z	Relative Intensity
55.01873	4.6
59.01380	8.2
69.03454	100.0
70.03788	1.6
71.01001	1.6
71.01386	4.9
72.99304	1.9
73.02948	2.1
79.01885	5.8
83.01397	1.0
85.02965	3.0
89.02461	3.5
95.01404	4.1
95.84524	0.8
97.02950	19.1
99.00886	26.1
99.01537	1.4
100.23914	0.8
101.02453	2.1
113.02459	2.0
119.03489	1.8
123.00891	1.9
134.03748	2.0
141.01936	12.3
150.03206	1.3
165.05594	0.9
181.43631	0.8
185.00908	61.9
185.53938	0.8
186.01224	1.9
193.05051	2.0
195.78818	0.7
363.60333	0.8
438.20810	0.8
469.92154	0.8
575.14404	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70689	0.9
55.01870	5.5
56.85111	0.9
59.01378	31.0
60.39703	1.0
69.03455	100.0
70.03800	1.9
70.69601	2.2
70.69967	1.8
71.01381	17.0
72.48576	1.0
72.99326	2.3
73.02940	5.9
79.01900	7.1
83.01389	1.7
85.02941	6.2
89.02435	10.4
95.01392	4.6
97.02951	18.1
99.00877	30.0
99.91100	0.9
101.02429	6.7
113.02447	11.4
119.03474	3.9
121.08315	0.9
123.00892	1.5
134.03740	2.7
141.01953	9.0
143.03453	2.0
149.02481	1.0
149.04630	1.1
149.06007	1.1
150.03204	1.6
154.90546	1.1
160.70647	1.0
161.04532	3.3
165.05487	2.0
178.02655	1.1
179.05598	2.3
185.00903	69.2
186.01212	1.5
187.59666	1.0
193.05067	1.6
233.00587	1.1
235.13322	1.1
411.05707	1.0
416.43134	1.0
484.43332	1.0
515.25262	2.4
533.25958	2.1
575.13715	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07376	0.7
55.01896	1.4
55.47856	0.7
57.03463	0.9
58.00590	1.8
59.01381	59.5
61.98824	13.9
65.30109	0.8
69.03458	3.6
71.01384	35.1
71.05016	0.8
71.95042	0.8
72.99310	7.2
73.02950	2.3
75.00874	22.5
83.01389	2.2
83.05018	1.3
85.02956	7.1
87.00880	6.0
88.98817	1.8
89.02445	44.0
90.02819	0.9
95.01398	2.6
96.96028	1.3
96.99321	3.2
97.02940	1.2
98.20690	1.8
99.00855	1.4
101.02444	17.7
105.01960	0.9
109.03007	1.0
111.00923	0.8
112.98580	1.4
113.02456	12.4
115.05532	2.7
117.01943	11.7
117.03485	0.8
119.03501	15.7
121.02986	1.1
122.38614	0.7
125.02448	3.0
127.00399	0.9
131.03471	1.2
131.05067	0.9
133.06555	1.9
135.03000	100.0
136.03326	1.8
143.03514	3.7
147.04543	14.0
149.04561	1.4
157.01437	0.8
161.04559	4.1
179.05598	13.9
185.00902	1.6
205.10213	1.8
207.11848	1.4
233.09685	14.6
251.10791	1.5
277.08716	4.2
285.04044	3.4
295.09747	43.2
296.10071	3.9
314.00516	0.8
320.07584	0.9
337.10672	3.6
338.10965	0.9
339.06650	0.9
353.23270	4.1
371.24326	1.4
395.11301	3.1
397.13031	1.1
413.12604	3.9
415.23389	2.0
433.65125	0.8
454.96957	0.9
457.15076	1.8
513.10193	1.8
531.27856	1.1
575.17596	2.0
575.30457	10.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.1826
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92868	1.4
59.01380	37.5
68.91912	1.6
71.53471	1.5
71.53851	1.7
85.02946	2.8
85.06612	1.9
96.96008	3.4
97.02928	2.3
98.99986	1.7
101.02452	2.5
103.00365	3.0
107.85711	1.6
129.05559	3.5
147.06636	100.0
148.06972	2.0
189.07697	33.5
233.06647	3.6
310.44025	1.6
321.97488	1.6
405.70349	1.7
585.41638	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.2708
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	5.4
57.03432	1.4
58.99604	1.4
59.01385	17.5
60.99301	1.7
61.98841	5.4
67.01864	1.0
69.03459	100.0
69.38437	1.9
69.38844	5.6
70.03768	1.4
71.01389	10.7
72.99324	4.9
73.02947	5.1
74.99108	0.8
75.00870	2.0
79.01895	5.1
83.01391	1.5
85.02942	3.8
87.00864	2.7
87.04494	1.2
88.98804	13.9
89.02442	7.9
93.03468	1.1
95.01398	3.6
96.96009	1.0
97.02952	19.9
99.00879	29.4
99.04479	0.9
101.02429	4.2
102.98581	2.9
105.01961	0.9
109.02975	0.9
113.02428	4.7
118.98053	1.0
119.03512	5.9
119.04983	1.1
120.03896	1.2
120.99642	1.7
123.00855	1.9
125.02426	0.9
125.09676	1.1
135.02971	4.2
137.02470	1.1
141.01941	8.4
143.03540	1.0
145.04968	0.9
158.42841	0.8
161.04526	3.2
161.13370	1.9
163.06137	3.1
171.10222	1.8
173.93074	1.2
179.05690	1.1
185.00922	91.4
186.01181	1.7
201.11314	3.2
205.12262	3.4
206.12793	1.2
227.03571	1.0
233.88123	1.0
236.83301	0.9
237.14914	1.4
245.34180	0.9
249.11299	1.9
255.02969	2.5
270.65918	0.9
271.18881	1.2
281.13858	1.3
283.02475	3.3
285.04062	7.6
301.20081	2.4
304.12643	1.0
331.67346	1.1
353.22754	0.9
371.24353	2.2
389.25458	44.6
390.25870	2.1
395.16440	1.1
429.17786	1.3
431.09875	3.4
455.85944	1.1
473.14597	1.0
495.18289	0.9
531.26807	1.1
575.13800	1.5
575.26794	23.6
576.27386	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.1251
Annotation	Unknow
Peak:m/z	Relative Intensity
55.35318	1.0
58.00605	1.1
59.01377	30.0
60.99307	14.3
61.98832	6.7
62.34362	1.0
69.03459	18.1
71.01392	9.6
71.55791	1.0
71.56213	1.9
72.99325	1.7
73.02938	6.9
75.00878	1.3
78.45152	1.0
83.01387	2.7
85.02962	4.7
87.00887	2.6
88.98807	100.0
89.02448	4.9
89.78130	1.1
95.01434	1.1
96.96046	2.0
97.02959	4.6
99.00898	6.7
101.02448	6.9
102.98604	2.5
113.02463	4.0
136.26149	1.1
137.02487	1.1
141.01869	1.5
147.04509	2.2
151.00346	2.3
157.09097	1.1
161.04535	1.5
185.00917	15.1
227.03391	1.7
255.03043	2.6
257.04495	1.5
283.17163	2.2
284.03293	2.7
285.04041	21.2
286.04294	2.4
295.09695	6.0
301.20267	1.3
375.27386	9.2
376.27893	4.1
389.25406	4.4
427.21350	1.8
445.22369	4.2
471.20367	2.8
515.28339	2.8
531.22247	21.5
531.29608	1.4
560.76215	1.5
575.30896	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	573.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	4.7
57.03421	1.7
58.00600	3.5
59.01379	100.0
61.98816	5.3
67.01880	1.7
69.03455	55.7
71.01384	55.5
71.55838	2.0
72.99314	9.8
73.02957	10.5
74.73542	1.5
75.00832	1.7
79.01887	4.3
79.05518	2.0
81.07072	2.5
83.01379	3.3
83.05064	1.7
85.02958	10.1
87.00883	9.4
89.02445	62.3
93.03470	1.8
95.01383	6.6
95.05025	2.0
96.53121	1.4
96.96014	8.4
97.02941	13.4
99.00879	20.9
99.04516	8.8
101.02444	46.2
101.06101	1.4
105.01915	1.9
111.04522	4.2
113.02451	23.6
115.07699	1.5
119.03501	62.1
119.04927	2.8
120.99622	1.9
125.02467	1.9
127.00392	2.2
131.03479	3.1
141.01918	6.9
143.03473	5.6
149.04572	2.7
161.04567	28.1
161.13359	23.9
179.05617	14.1
185.00917	50.3
186.01021	1.7
187.11302	14.8
205.12326	65.3
206.12665	3.3
215.73544	1.5
229.12340	1.9
231.10349	1.9
249.11307	63.1
250.11424	2.0
256.41165	1.5
311.08990	1.9
312.08911	1.4
333.13425	8.9
334.13583	1.8
373.25839	1.8
375.27472	10.9
382.02100	1.6
385.18756	3.1
387.23999	10.5
393.15610	7.2
411.16379	1.9
416.10889	1.6
429.17599	38.6
430.17993	2.6
455.22711	2.2
487.24542	1.9
529.26154	1.5
531.20288	3.0
537.21539	1.5
573.21161	30.4
573.31854	3.1
574.22699	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	573.2915
Annotation	Tricalysioside O
Peak:m/z	Relative Intensity
52.88675	2.1
55.01878	2.2
58.00594	3.3
58.36031	2.1
59.01377	100.0
61.98835	19.2
67.01867	1.9
69.03448	2.6
71.01375	64.7
72.99302	6.1
73.02939	9.4
76.37855	2.2
83.01394	3.4
83.99429	2.3
85.02956	11.7
87.00880	7.8
88.98808	2.1
89.02439	80.5
95.01393	2.3
97.02950	2.5
98.19910	4.5
99.00880	2.9
101.02431	49.1
113.02448	19.3
119.03504	7.7
125.02457	4.1
128.45200	2.3
131.03499	39.6
134.55971	1.9
143.03522	2.8
149.04559	59.3
183.04602	2.0
191.05573	17.2
381.22821	12.8
513.26978	82.4
514.27368	6.3
548.59418	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	573.3046
Annotation	13beta,29-Dihydroxymilbemycin A4
Peak:m/z	Relative Intensity
54.54380	0.4
58.69078	0.4
59.01374	0.5
61.98832	1.5
69.57560	2.1
78.95905	75.9
96.96962	6.3
124.94750	0.4
147.98302	0.3
150.98019	1.8
152.99585	100.0
153.99936	1.0
171.00647	1.6
171.08365	0.4
195.96002	0.4
241.33038	0.4
243.02727	9.1
244.03035	0.5
255.23306	16.0
256.23639	0.9
266.14297	0.4
286.09430	0.4
291.34491	0.4
317.06537	1.7
391.22369	3.0
392.22852	0.5
409.23636	6.8
573.30414	55.0
574.30774	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	573.1244
Annotation	Unknow
Peak:m/z	Relative Intensity
55.07603	3.7
59.01377	22.0
61.98828	19.2
71.01377	9.1
72.99318	5.4
85.02943	3.8
89.02441	7.7
96.96019	5.7
98.19771	5.6
100.81038	3.4
101.02421	5.2
113.02439	5.6
119.05032	100.0
120.05322	5.4
125.02425	9.1
135.04500	12.6
135.75768	3.1
137.02449	5.2
151.03864	3.1
153.01944	4.2
163.00380	3.9
163.04024	60.6
177.01936	5.6
181.05075	83.6
182.05455	4.7
212.17508	3.1
223.06087	42.6
224.06412	3.4
229.51326	3.4
230.72412	3.3
243.28093	3.2
255.02988	3.8
283.02505	3.6
285.04105	8.5
309.04080	4.0
555.09332	4.9
573.09979	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	573.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	4.7
57.03421	1.7
58.00600	3.5
59.01379	100.0
61.98816	5.3
67.01880	1.7
69.03455	55.7
71.01384	55.5
71.55838	2.0
72.99314	9.8
73.02957	10.5
74.73542	1.5
75.00832	1.7
79.01887	4.3
79.05518	2.0
81.07072	2.5
83.01379	3.3
83.05064	1.7
85.02958	10.1
87.00883	9.4
89.02445	62.3
93.03470	1.8
95.01383	6.6
95.05025	2.0
96.53121	1.4
96.96014	8.4
97.02941	13.4
99.00879	20.9
99.04516	8.8
101.02444	46.2
101.06101	1.4
105.01915	1.9
111.04522	4.2
113.02451	23.6
115.07699	1.5
119.03501	62.1
119.04927	2.8
120.99622	1.9
125.02467	1.9
127.00392	2.2
131.03479	3.1
141.01918	6.9
143.03473	5.6
149.04572	2.7
161.04567	28.1
161.13359	23.9
179.05617	14.1
185.00917	50.3
186.01021	1.7
187.11302	14.8
205.12326	65.3
206.12665	3.3
215.73544	1.5
229.12340	1.9
231.10349	1.9
249.11307	63.1
250.11424	2.0
256.41165	1.5
311.08990	1.9
312.08911	1.4
333.13425	8.9
334.13583	1.8
373.25839	1.8
375.27472	10.9
382.02100	1.6
385.18756	3.1
387.23999	10.5
393.15610	7.2
411.16379	1.9
416.10889	1.6
429.17599	38.6
430.17993	2.6
455.22711	2.2
487.24542	1.9
529.26154	1.5
531.20288	3.0
537.21539	1.5
573.21161	30.4
573.31854	3.1
574.22699	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	571.2887
Annotation	1-palmitoyl-sn--glycero-3-phospho-D-myo-inositol
Peak:m/z	Relative Intensity
53.01542	0.7
55.26508	0.6
62.96416	1.0
70.30022	2.5
70.78599	0.8
77.06154	0.6
78.95904	70.1
93.42289	0.5
96.96957	15.3
98.19859	0.6
113.50735	0.6
117.53060	0.6
134.34229	0.5
145.10957	0.5
152.99585	60.6
162.14607	0.6
171.00618	0.9
171.68115	0.6
223.00098	1.8
241.01178	32.0
242.01410	0.9
255.23283	73.6
256.23608	4.2
259.02133	0.9
295.59610	0.7
315.04883	10.2
337.82083	0.6
372.33670	0.7
389.38522	0.7
391.22641	6.6
406.39084	0.7
571.28851	100.0
572.29218	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	571.2902
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.9
57.03431	2.2
59.01377	12.6
60.86985	0.7
61.98835	5.6
69.03453	7.8
71.01382	7.7
71.56176	1.1
72.99313	4.5
73.02939	3.7
75.00859	1.2
83.01325	0.9
85.02958	1.8
87.00881	5.2
89.02435	3.9
95.01379	0.9
97.02950	4.9
97.06604	1.2
99.00894	3.9
99.04543	1.1
101.02431	3.2
111.04461	0.7
113.02427	2.3
115.00349	1.0
119.03506	1.2
121.06573	0.7
125.02377	1.0
125.09705	2.0
127.00354	1.1
141.01915	5.1
141.09233	1.1
147.04440	0.9
163.03960	0.8
168.04070	0.8
171.10248	5.5
185.00931	6.9
187.09741	1.0
195.08133	3.1
249.09196	1.1
266.83627	0.8
285.12167	0.9
286.12720	1.8
293.08688	1.0
295.09760	4.6
311.09149	1.6
337.10831	0.9
349.20056	1.0
371.24380	1.7
373.25922	100.0
374.26266	8.3
383.11636	1.2
385.22180	1.5
415.27011	1.0
442.89386	0.8
444.98578	0.8
453.18738	2.4
511.25107	1.2
553.29681	1.0
571.30048	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	571.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36384	0.8
55.01884	5.6
57.03445	1.0
59.01372	10.6
61.98832	9.4
65.03947	1.3
67.01881	1.4
67.53448	0.8
69.03455	100.0
69.58086	0.8
70.03772	1.5
71.01381	25.2
71.55984	1.0
72.99304	6.3
73.02941	2.1
75.00867	1.5
79.01888	3.8
83.01367	1.9
85.02950	7.0
87.00867	12.2
89.02451	2.7
95.01379	4.2
97.02345	1.5
97.02947	21.3
99.00879	30.4
101.02431	3.2
101.14631	0.9
105.01929	2.1
109.02989	1.0
110.99784	0.9
111.00874	1.2
113.02445	8.1
113.87361	0.9
115.05563	1.9
119.05003	1.5
121.02962	1.8
123.00822	2.0
125.02451	1.6
127.00355	2.0
131.03468	1.1
131.05031	2.2
133.06595	1.6
135.02972	2.4
139.00354	1.4
141.01920	9.2
145.06523	0.9
147.04501	6.2
150.64374	0.9
155.03528	1.1
161.06088	6.7
163.07628	1.9
185.00906	89.0
186.01233	2.4
193.10176	1.1
205.10213	2.9
207.11795	5.2
233.09688	6.5
247.11287	4.2
251.10768	10.5
277.08755	1.8
291.10129	2.6
293.08798	8.6
295.09726	45.8
296.10052	4.3
297.10349	1.0
301.20490	1.1
319.09625	2.1
337.10760	10.9
349.10681	3.1
351.12427	2.6
379.11771	9.0
383.11475	1.3
385.22253	1.8
393.13464	1.3
439.13843	1.4
571.18042	2.5
571.24438	14.2
571.30957	1.4
572.24066	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	571.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94801	1.0
55.01870	4.6
59.01374	8.0
61.98835	6.7
69.03456	63.3
69.43851	4.5
69.44277	3.8
71.01380	48.9
72.99306	12.0
73.02946	2.0
75.00858	1.3
79.01892	1.9
83.01380	3.0
85.02933	5.1
87.00876	27.7
88.98775	1.4
89.02457	2.1
95.01372	1.5
97.02939	12.3
99.00884	22.2
99.04529	1.2
101.02438	4.5
105.01937	2.7
111.00893	1.4
113.02461	6.1
114.26544	1.1
115.04065	1.2
115.05546	1.3
117.03471	1.0
121.02940	1.2
125.02434	1.4
127.00377	3.6
131.05040	3.6
133.06616	3.2
135.02977	2.9
141.01947	7.6
142.99866	2.7
145.06596	2.5
147.04503	5.9
149.06061	1.7
155.03482	1.4
157.01459	1.1
157.90788	1.3
161.06076	11.4
163.07687	2.0
165.01881	1.6
173.06088	2.0
185.00905	57.6
186.01190	1.5
189.05585	1.4
193.10213	3.7
205.10278	4.0
207.11761	8.4
211.02519	1.4
225.48343	1.2
233.09615	6.7
247.11258	7.4
251.10770	21.4
252.11298	1.2
275.04071	2.8
275.10660	1.4
277.08746	2.1
291.10291	5.7
293.08768	2.5
293.11792	1.3
295.09744	100.0
296.10086	10.1
301.20334	2.2
309.11151	1.5
319.09723	3.5
323.13040	1.6
330.10107	1.2
337.10751	22.4
338.10876	1.5
349.10880	5.0
351.12341	2.9
379.11908	14.1
380.12009	1.5
383.11346	10.2
385.22385	2.0
393.13327	2.1
397.13092	1.7
439.14023	2.4
571.17389	4.7
571.25214	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	571.2398
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82912	0.8
55.01874	3.6
57.03440	1.3
59.01385	9.1
61.98833	10.0
65.03963	1.2
69.03458	100.0
69.43826	5.4
69.44247	1.9
70.03776	1.6
71.01382	20.3
72.99304	6.9
73.02987	1.6
75.00875	1.3
79.01897	4.0
81.03469	0.9
83.01396	3.1
85.02953	8.7
87.00877	14.3
89.02439	2.6
93.03456	0.9
95.01392	4.8
95.46735	0.8
96.96017	1.3
96.99319	1.1
97.02955	21.6
99.00886	29.9
99.04498	1.2
101.02441	3.3
101.94662	0.8
103.05533	1.0
105.01929	3.1
107.01431	0.8
109.02913	1.3
111.00880	1.2
113.02444	7.7
115.05517	1.5
119.03522	1.8
119.05013	1.3
121.02984	1.7
121.63744	0.8
123.00912	1.8
125.02453	1.4
127.00372	0.9
131.05009	1.5
133.06554	1.8
135.02989	2.1
141.01930	9.3
147.04572	4.3
161.06091	5.1
163.07700	1.5
170.49698	0.8
173.06119	0.9
185.00917	95.8
186.01253	2.0
189.05629	0.9
193.10040	1.1
205.10178	2.4
207.11757	3.0
211.02544	1.1
221.19394	0.8
233.09737	6.6
247.11311	2.6
251.10692	6.5
277.08694	1.5
281.22729	0.9
291.10138	2.3
293.08795	12.4
295.09753	38.8
296.10107	4.7
297.10440	1.5
319.09760	1.1
337.10864	9.7
349.10779	2.8
351.12302	1.7
379.11810	5.1
383.11658	1.0
385.22299	2.3
393.13367	1.2
571.24335	16.5
571.31006	1.6
572.24683	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.182
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	3.2
57.03440	3.6
57.38133	1.5
58.00594	4.1
59.01068	2.2
59.01378	69.3
61.98831	100.0
66.92245	1.6
69.03450	4.0
71.01380	45.9
71.01778	2.4
72.99308	63.9
73.02950	4.3
75.00877	2.0
81.03452	2.8
83.01370	6.6
83.05031	3.0
85.02953	15.7
86.71535	1.3
87.00874	23.8
89.02448	28.7
93.03476	2.4
96.99315	12.6
97.02937	4.1
99.00880	26.1
99.04492	2.7
101.02443	45.1
105.01937	67.3
109.02940	3.7
111.00876	4.9
113.02448	27.5
115.05545	11.7
117.03500	2.7
119.03506	71.7
125.02423	4.0
127.00398	2.1
127.03991	5.8
129.01955	1.7
131.03461	3.8
131.05016	1.8
137.02458	8.9
141.01956	2.1
143.03496	1.5
145.06642	3.3
147.04526	18.9
149.04543	5.0
155.03528	12.6
161.00958	7.0
161.04597	3.0
161.06050	2.6
185.00851	1.5
189.05597	2.6
191.05418	1.3
205.10252	11.2
207.11821	2.7
221.05307	1.6
233.06425	2.7
233.09689	45.1
234.10016	3.9
249.06084	3.2
251.10744	4.2
261.33774	1.3
275.87082	1.3
277.08728	19.2
291.10229	2.9
293.05115	12.3
293.08417	2.6
295.06403	3.4
295.09735	65.6
296.10074	7.1
297.10342	5.0
301.18088	3.9
319.09793	10.4
337.10764	8.5
349.10764	3.4
379.11786	5.0
479.95557	1.7
571.17773	14.9
571.30548	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	2.8
57.03440	3.8
59.01381	58.1
61.98832	21.5
62.62417	1.6
69.03442	6.4
69.73830	7.6
71.01380	50.7
72.99301	17.8
73.02941	4.9
73.79546	1.6
75.00861	3.8
77.10275	2.0
81.03450	2.4
83.01392	7.6
83.05015	2.8
85.02949	20.0
87.00877	15.7
88.73872	2.0
89.02447	16.9
93.03456	4.3
95.01395	4.0
96.99307	16.8
97.02911	2.4
98.20629	3.0
99.00879	31.8
99.04516	3.9
101.02441	40.2
102.35355	1.8
104.00964	1.9
105.01934	12.4
105.71354	1.9
109.02949	4.0
111.00882	6.7
111.04511	4.9
113.02454	31.9
115.05539	16.5
115.17584	1.6
117.03469	4.3
119.03504	49.6
121.02960	4.3
125.02447	3.3
127.00329	2.3
127.03984	4.6
131.03499	4.1
131.04999	4.3
135.03006	2.0
137.02466	7.9
139.00354	1.6
141.01904	2.3
142.99797	1.7
143.03552	1.8
147.04514	14.0
155.03519	14.3
161.04575	2.3
161.06044	5.4
166.99808	2.7
185.01018	2.7
189.05646	5.0
205.10260	11.6
207.11781	3.1
233.06902	3.4
233.09697	60.5
234.10030	3.4
251.10823	4.6
263.10709	2.5
265.08795	2.3
275.10739	2.7
277.08673	20.9
291.10284	7.3
293.08841	8.0
293.11685	2.0
295.09753	100.0
296.10068	9.0
297.10342	3.0
301.18103	6.2
319.09781	17.7
332.22992	1.8
337.10803	19.3
349.10718	3.7
379.11746	14.6
380.12335	2.4
399.54770	1.9
415.91711	2.1
439.14008	6.2
439.27026	3.0
571.17682	13.8
571.31305	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	571.1457
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41051	0.5
52.49275	0.5
59.01370	2.6
61.98817	1.1
64.18710	0.5
70.04663	2.8
71.01380	11.3
72.99309	27.3
83.01398	1.3
85.02943	1.9
87.00878	38.6
89.02431	0.9
96.99316	7.7
97.02973	0.7
99.00882	3.0
101.02459	0.9
103.05531	1.3
105.01931	19.8
106.02272	0.7
113.02455	1.9
115.05522	5.7
117.03439	1.3
121.02962	0.9
127.00351	1.5
131.03540	0.6
131.05049	0.8
142.99863	1.5
147.04521	12.5
148.04941	0.7
161.00926	1.9
182.19252	0.5
187.02509	0.6
203.08632	0.5
205.10245	3.0
207.11803	1.1
233.09703	19.6
234.10013	1.2
249.06238	1.1
251.10773	0.6
275.04141	3.2
277.08737	6.6
293.05133	2.7
293.08752	3.8
295.09741	100.0
296.10086	8.2
301.18066	1.1
383.11374	3.2
466.41678	0.6
577.48578	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.1462
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	2.5
59.01381	7.4
61.98827	10.6
65.03957	1.9
67.01902	0.8
68.72708	0.7
69.03456	41.4
71.01383	38.4
72.99309	15.5
73.02937	2.0
74.63147	0.6
75.00870	1.1
79.01863	1.2
83.01392	3.9
85.02950	3.8
87.00878	43.6
88.98813	0.6
89.02477	1.3
95.01386	1.3
97.02959	7.7
99.00880	20.7
99.04538	0.9
101.02461	2.0
105.01942	2.3
111.00880	1.6
113.02447	3.2
115.05515	1.5
119.05064	0.9
121.02866	0.7
125.02422	0.8
127.00391	5.6
131.03517	0.7
135.02959	1.5
141.01939	3.3
142.99846	4.5
147.04535	6.1
161.04843	0.8
161.06091	3.8
175.02440	0.9
185.00912	37.8
189.05637	1.0
205.10237	4.2
207.11807	7.7
231.04892	0.9
233.09651	1.8
247.11327	2.9
251.10759	23.6
251.13306	1.5
252.11058	1.0
275.04123	4.8
291.10150	1.5
293.08765	0.8
295.09750	100.0
296.10089	7.6
301.20291	1.0
319.09705	0.9
337.10855	6.9
338.11676	0.9
349.10941	1.9
379.11865	5.0
383.11374	16.1
384.11688	1.0
385.22339	1.4
472.29657	0.8
571.16034	1.6
571.17603	1.1
571.24109	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	571.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94801	1.0
55.01870	4.6
59.01374	8.0
61.98835	6.7
69.03456	63.3
69.43851	4.5
69.44277	3.8
71.01380	48.9
72.99306	12.0
73.02946	2.0
75.00858	1.3
79.01892	1.9
83.01380	3.0
85.02933	5.1
87.00876	27.7
88.98775	1.4
89.02457	2.1
95.01372	1.5
97.02939	12.3
99.00884	22.2
99.04529	1.2
101.02438	4.5
105.01937	2.7
111.00893	1.4
113.02461	6.1
114.26544	1.1
115.04065	1.2
115.05546	1.3
117.03471	1.0
121.02940	1.2
125.02434	1.4
127.00377	3.6
131.05040	3.6
133.06616	3.2
135.02977	2.9
141.01947	7.6
142.99866	2.7
145.06596	2.5
147.04503	5.9
149.06061	1.7
155.03482	1.4
157.01459	1.1
157.90788	1.3
161.06076	11.4
163.07687	2.0
165.01881	1.6
173.06088	2.0
185.00905	57.6
186.01190	1.5
189.05585	1.4
193.10213	3.7
205.10278	4.0
207.11761	8.4
211.02519	1.4
225.48343	1.2
233.09615	6.7
247.11258	7.4
251.10770	21.4
252.11298	1.2
275.04071	2.8
275.10660	1.4
277.08746	2.1
291.10291	5.7
293.08768	2.5
293.11792	1.3
295.09744	100.0
296.10086	10.1
301.20334	2.2
309.11151	1.5
319.09723	3.5
323.13040	1.6
330.10107	1.2
337.10751	22.4
338.10876	1.5
349.10880	5.0
351.12341	2.9
379.11908	14.1
380.12009	1.5
383.11346	10.2
385.22385	2.0
393.13327	2.1
397.13092	1.7
439.14023	2.4
571.17389	4.7
571.25214	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	569.1878
Annotation	Pyrolaside A
Peak:m/z	Relative Intensity
50.65414	0.7
59.01381	30.0
61.98836	5.9
65.74553	0.8
67.74045	0.6
71.01375	6.4
71.55067	1.3
72.99305	2.2
73.02950	1.4
81.03455	0.7
85.02953	2.4
87.00888	2.3
88.98816	0.9
89.02447	4.1
90.27456	0.7
93.03481	2.2
95.01411	1.8
96.96019	0.8
99.00858	1.0
101.02438	4.1
105.01968	1.1
108.02182	2.6
109.02946	2.3
111.00891	1.6
111.44511	0.6
113.02444	3.9
116.92857	1.2
118.83583	0.7
119.03503	1.7
121.02923	5.1
122.03745	1.8
123.00903	0.8
123.04542	3.3
123.41512	0.7
125.02459	2.5
126.84164	0.8
127.00367	0.8
134.02719	1.6
134.03737	27.8
135.03011	0.7
135.04366	0.7
136.01662	65.2
137.02113	2.3
143.03586	0.9
149.02435	9.1
149.06084	18.9
150.03226	23.2
150.06364	0.7
151.04007	100.0
152.01268	1.2
152.04350	3.5
153.01939	1.1
155.03546	1.4
157.01463	1.1
161.04590	1.2
162.03281	1.0
163.03998	1.1
164.04773	2.8
165.05557	26.3
167.03473	1.2
178.02699	2.0
179.05547	1.1
180.04248	1.5
181.05054	7.9
191.07228	0.7
192.04468	0.7
193.05058	6.4
195.06602	14.3
211.06082	2.3
223.03960	0.7
225.05602	0.8
235.06076	1.7
236.04684	1.3
241.05086	1.2
243.48602	0.8
252.04227	2.9
253.05135	0.9
255.06639	3.0
256.07220	0.9
267.06616	1.9
269.04471	1.1
282.09070	0.9
284.06882	3.3
284.40741	0.8
297.11292	1.5
299.09222	11.1
300.09503	0.9
317.10406	0.8
341.10294	4.3
347.11328	2.2
359.11270	6.9
383.11252	1.3
389.12280	3.3
407.13434	79.0
408.13654	7.2
553.42816	0.8
569.18738	24.7
569.27655	1.4
570.19073	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	569.2967
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34028	2.7
57.03440	3.1
59.01379	48.7
59.08448	2.0
61.98826	15.1
69.23206	12.6
69.23631	8.9
71.01384	48.8
72.99309	3.3
73.02957	17.2
75.05610	2.2
83.01399	8.3
83.59422	1.9
85.02943	23.0
86.03391	1.9
87.00855	10.1
89.02438	6.4
90.48236	2.1
95.01384	2.9
96.96030	3.0
98.04607	2.1
98.19878	4.3
99.00877	4.4
101.02454	36.5
102.97616	2.1
113.02432	16.1
151.84854	2.0
159.02979	4.4
161.04550	28.9
205.10187	2.5
295.09717	2.2
509.27542	100.0
510.27795	7.7
534.55316	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	569.2998
Annotation	LRRK2-IN-1
Peak:m/z	Relative Intensity
60.22251	1.2
61.98826	4.3
69.02176	1.2
71.01398	7.7
71.01714	1.4
71.54607	1.9
78.98597	4.7
79.95744	8.1
80.96516	65.0
85.02961	2.4
86.44408	1.4
87.00880	1.6
94.98068	13.9
101.02438	1.7
106.98108	2.7
122.97593	2.4
123.13338	1.4
125.02466	1.7
131.24455	1.2
134.97595	3.7
148.99133	5.4
152.98589	4.2
164.98639	9.1
204.44316	1.3
206.99683	1.8
225.00706	12.5
269.24881	1.6
299.04501	3.0
502.76022	1.3
569.29987	100.0
570.30096	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	569.1721
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	1.8
58.00594	2.1
59.01379	100.0
61.13242	0.9
63.51441	1.1
67.01894	2.6
67.48248	0.8
69.03465	4.1
69.65405	3.9
69.65812	2.5
71.01387	14.9
72.99294	4.8
73.02945	6.3
81.03450	8.6
83.01406	2.9
83.05020	4.8
85.02955	35.8
87.00872	1.8
88.98818	1.8
89.02464	6.9
91.07832	1.1
93.03469	8.3
95.01386	24.7
97.02953	2.2
99.00887	3.7
99.04517	6.7
101.02444	9.7
103.04002	6.2
108.02161	1.2
109.02957	10.9
111.00885	9.5
111.04517	1.9
113.02446	12.5
116.54641	1.1
119.03519	1.8
121.02946	2.7
123.04538	2.8
125.02480	2.9
127.04008	27.9
137.02451	5.1
139.00378	22.9
141.05566	3.7
145.05074	11.3
149.02449	1.8
151.04059	2.3
153.01945	1.4
155.03485	12.3
157.01402	2.1
162.89070	0.9
163.06161	1.6
167.03520	2.3
169.05086	4.7
171.03015	5.2
179.03539	2.2
181.01422	2.8
184.42111	1.1
191.05569	1.9
199.02470	43.2
213.04001	1.1
217.03499	1.5
241.03604	2.4
241.07118	1.7
253.03482	1.1
257.06851	1.5
259.08380	1.2
264.98380	1.2
285.06189	4.7
301.05368	1.4
345.08249	11.9
363.09335	1.2
382.10635	1.0
387.09305	14.2
405.10431	9.2
407.41339	1.2
423.11383	3.5
465.12338	5.6
519.00861	1.1
551.16388	5.0
569.17126	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	567.3022
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00470	1.6
55.01866	3.3
57.03446	2.2
58.00601	1.6
59.01382	57.5
61.98833	32.4
71.01384	39.6
71.55637	2.0
71.55984	2.0
72.99314	4.3
73.02945	15.2
75.00868	3.7
83.01401	4.2
85.02963	16.4
87.00889	3.1
89.02441	22.4
90.23166	1.5
92.98488	2.0
99.00880	5.2
101.02445	32.0
111.00866	3.6
113.02432	12.0
119.03476	2.8
125.02395	3.1
129.01926	1.9
131.03497	9.7
137.02467	4.6
149.02425	6.3
149.04570	3.8
150.03119	4.8
161.04546	7.5
164.04793	4.2
165.01936	16.5
165.05577	2.1
180.04253	9.7
193.01456	3.5
195.06630	17.7
201.11310	2.2
208.03786	10.2
210.05156	2.4
223.06104	28.6
225.07683	16.0
317.19873	2.8
363.14304	3.4
375.23904	16.0
401.12231	3.6
405.25168	2.7
449.24057	3.6
507.28064	100.0
508.28348	12.2
523.27417	14.1
567.30017	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	568.3617
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02800	0.5
55.57801	0.4
59.01381	17.6
61.98826	1.7
70.02044	2.4
70.02322	0.4
78.95901	17.7
89.13582	0.5
102.43619	0.4
152.99582	4.0
155.08250	0.5
168.04265	2.8
224.06924	7.9
242.07967	1.8
255.23309	3.0
269.24832	100.0
270.25214	5.9
483.26651	2.0
494.32498	63.4
495.33130	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	569.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88454	0.4
55.01876	0.6
57.03444	1.0
59.01383	5.4
61.98830	16.5
67.62508	0.5
68.99806	2.2
69.03436	1.2
69.33094	0.5
69.36883	0.5
71.01386	8.8
71.56124	0.7
72.99312	4.0
73.02944	5.1
73.92077	0.5
75.00891	1.2
81.03466	0.9
83.01393	2.5
85.02953	4.4
87.00878	28.3
89.02448	2.9
93.03484	0.7
95.01367	2.4
96.96001	0.8
96.99321	2.9
97.02946	0.8
99.00878	4.0
101.02446	5.0
101.08014	0.6
103.05526	1.3
105.01927	13.5
109.02944	0.6
111.00902	4.9
113.02435	4.6
115.00336	0.6
115.05532	3.5
117.03471	0.7
119.03497	1.3
119.05013	1.8
121.02932	1.0
121.20054	0.6
125.02478	1.0
127.00398	1.3
129.01949	4.9
131.03442	1.1
137.02434	1.1
138.52779	0.5
139.00427	1.0
141.01932	3.4
142.99905	0.7
147.04523	44.2
148.04813	1.5
149.04587	1.1
155.03566	0.8
159.02991	32.5
160.03284	1.1
167.03532	0.6
183.02933	1.1
193.93837	0.5
200.83548	0.5
205.10181	2.3
207.11771	4.3
221.09724	0.7
233.09705	10.7
234.10033	1.1
237.49838	0.5
243.05070	6.2
251.10750	9.5
252.10983	0.7
277.08670	4.6
295.09741	100.0
296.10059	7.4
297.10394	1.4
337.10773	1.0
383.11496	1.8
437.12561	0.5
479.13358	0.9
520.71533	0.6
524.39746	0.5
569.16803	0.9
569.25262	0.8
569.30573	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2658
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81860	0.6
54.56422	0.5
55.01751	1.5
55.02028	1.0
55.34235	0.5
55.42004	0.5
57.03307	1.3
57.03598	1.3
58.00449	1.3
58.00741	1.4
61.98639	5.6
61.99002	6.5
69.20991	5.7
71.01137	13.0
71.01579	20.8
72.99505	1.9
73.02683	3.7
73.03144	6.0
75.00658	1.0
75.01042	1.4
82.71541	0.6
83.01056	1.4
83.01608	3.0
85.02585	3.3
85.03174	8.5
86.00278	0.9
87.01076	1.6
89.02046	5.3
89.02666	15.6
95.00967	1.1
95.01622	2.3
98.15955	0.5
99.01142	2.1
99.04693	1.1
101.01934	5.5
101.02682	20.3
113.01838	2.3
113.02707	11.3
115.07872	0.6
119.02836	0.9
119.03762	5.7
131.03706	0.8
137.02654	1.0
143.03761	1.0
149.02611	1.0
150.03529	2.0
151.04068	0.6
161.04749	1.3
164.04961	0.9
165.05809	2.6
171.10503	1.4
179.05881	1.4
195.06860	2.0
201.11369	4.6
208.04005	0.9
222.08018	0.6
223.06297	2.1
225.15031	1.0
300.02814	0.9
301.03278	1.0
302.03415	1.5
317.19531	1.5
371.66656	0.9
387.20230	100.0
388.20593	7.1
407.26221	0.9
449.23828	1.3
463.25214	1.0
481.26453	2.9
506.26642	0.7
507.26740	2.7
523.27374	6.4
549.29333	0.9
567.11896	1.8
567.26239	40.4
568.26495	4.5
583.57379	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2659
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	2.7
58.00577	1.4
59.01101	1.8
59.01376	18.7
61.98821	4.3
64.34884	1.1
69.03455	1.6
71.01003	1.7
71.01382	21.0
72.99294	3.4
73.02940	4.8
75.00874	1.7
80.91666	3.4
83.01369	3.5
85.02948	5.3
86.00090	1.3
87.00843	4.4
89.02456	6.3
97.02948	1.5
99.00870	1.3
101.02453	8.2
113.02446	5.3
119.03410	1.3
120.99660	20.6
125.02430	1.6
125.09695	4.5
135.02988	3.7
147.04457	1.6
175.02406	1.7
185.18036	1.0
197.19115	1.2
207.17490	4.1
223.16896	2.7
225.18585	8.5
243.19609	2.6
251.16423	4.6
265.06982	1.2
269.17590	10.4
287.15686	2.1
287.18665	30.2
288.18817	1.5
387.23856	2.6
405.21228	7.9
431.22855	10.0
435.26102	7.9
449.23907	100.0
450.24121	7.9
567.26355	62.1
568.26697	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	567.2293
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	1.1
57.03439	2.2
58.00595	2.2
59.01378	43.7
61.98828	9.9
62.32396	0.9
66.94044	1.0
68.30058	0.9
71.01382	25.1
71.05067	1.2
72.32922	0.9
72.99324	2.7
73.02942	14.0
75.00896	2.6
77.16988	0.9
77.29349	0.9
83.01379	2.0
83.05058	0.9
85.02961	7.0
87.00890	2.1
87.04528	3.9
87.05581	0.9
89.02449	23.2
95.01407	1.8
95.05085	1.4
99.00901	1.6
99.04533	1.5
101.02439	14.4
111.00925	0.9
111.08173	1.8
111.08897	1.0
113.02470	9.4
119.03493	6.1
123.08149	1.1
125.02457	1.0
135.02972	1.5
143.03540	1.8
149.02475	2.3
150.03233	5.2
152.89166	0.9
161.04604	2.6
163.11301	6.7
165.01981	1.5
165.05583	7.4
167.03535	3.0
169.08682	1.4
176.36577	0.9
179.05736	2.6
180.04309	2.2
181.12338	28.2
187.09782	5.1
193.05185	1.0
195.06604	5.7
199.09904	1.8
207.10329	2.5
217.10820	8.7
220.50639	1.0
223.06213	3.4
225.11304	90.8
226.11757	3.7
231.32393	1.1
234.09691	1.2
243.12411	1.4
249.11307	1.7
267.12549	1.4
269.14090	2.3
357.13638	1.0
387.16583	7.8
387.24194	1.4
405.17627	100.0
406.18030	8.0
407.26935	1.3
449.19247	1.5
449.24142	3.2
523.27466	1.6
549.29596	4.2
566.32544	1.1
567.23163	4.7
567.30798	35.0
568.31134	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	567.2293
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	1.1
57.03439	2.2
58.00595	2.2
59.01378	43.7
61.98828	9.9
62.32396	0.9
66.94044	1.0
68.30058	0.9
71.01382	25.1
71.05067	1.2
72.32922	0.9
72.99324	2.7
73.02942	14.0
75.00896	2.6
77.16988	0.9
77.29349	0.9
83.01379	2.0
83.05058	0.9
85.02961	7.0
87.00890	2.1
87.04528	3.9
87.05581	0.9
89.02449	23.2
95.01407	1.8
95.05085	1.4
99.00901	1.6
99.04533	1.5
101.02439	14.4
111.00925	0.9
111.08173	1.8
111.08897	1.0
113.02470	9.4
119.03493	6.1
123.08149	1.1
125.02457	1.0
135.02972	1.5
143.03540	1.8
149.02475	2.3
150.03233	5.2
152.89166	0.9
161.04604	2.6
163.11301	6.7
165.01981	1.5
165.05583	7.4
167.03535	3.0
169.08682	1.4
176.36577	0.9
179.05736	2.6
180.04309	2.2
181.12338	28.2
187.09782	5.1
193.05185	1.0
195.06604	5.7
199.09904	1.8
207.10329	2.5
217.10820	8.7
220.50639	1.0
223.06213	3.4
225.11304	90.8
226.11757	3.7
231.32393	1.1
234.09691	1.2
243.12411	1.4
249.11307	1.7
267.12549	1.4
269.14090	2.3
357.13638	1.0
387.16583	7.8
387.24194	1.4
405.17627	100.0
406.18030	8.0
407.26935	1.3
449.19247	1.5
449.24142	3.2
523.27466	1.6
549.29596	4.2
566.32544	1.1
567.23163	4.7
567.30798	35.0
568.31134	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	567.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78602	0.9
55.01866	1.7
57.02661	0.8
57.03437	2.5
58.00592	1.1
59.01380	55.9
60.69565	1.0
61.98536	1.4
61.98831	25.1
62.35302	0.9
69.03465	2.7
71.01009	1.8
71.01385	35.1
72.99295	2.9
73.02947	14.7
75.00887	2.4
80.84065	0.9
83.01379	6.3
85.02947	15.7
87.00865	3.5
87.04492	1.3
89.02445	21.1
93.03514	1.1
95.01383	3.0
97.02966	2.2
99.00881	5.4
99.92545	1.1
101.02445	27.1
102.98613	1.1
109.06628	1.0
111.00875	3.7
113.02444	12.7
115.00314	1.3
117.01935	1.2
119.03487	3.0
121.02935	3.0
125.02434	2.2
129.01997	1.7
131.03497	7.7
133.01396	2.0
135.04495	2.2
137.02477	5.1
143.03490	2.3
149.02457	15.8
149.04546	4.1
150.03171	2.9
151.03978	1.5
152.01109	3.1
155.45107	1.0
159.02919	2.4
161.04520	5.7
163.03970	2.2
164.04793	8.9
165.00519	1.8
165.01918	29.4
165.05554	2.8
169.05110	1.2
171.10233	1.6
179.03572	5.3
179.07115	2.7
180.04280	17.8
193.01437	5.6
194.05870	1.6
195.06624	26.2
201.11214	1.2
208.03783	15.0
210.05225	4.8
223.06102	51.2
224.06430	2.7
225.07663	28.5
229.33728	1.2
233.06607	2.8
241.14304	1.3
259.56796	1.1
271.49948	1.1
302.96933	1.2
317.19623	5.9
357.22336	1.1
375.23788	16.8
387.20068	2.4
387.24496	1.3
401.12521	4.7
405.24887	2.5
419.13138	1.5
419.23242	1.2
449.14035	5.4
449.23831	4.9
463.25543	1.7
481.26566	2.2
507.28076	100.0
508.28311	5.8
523.27527	11.0
567.18427	1.2
567.30438	13.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2293
Annotation	Chinikomycin A
Peak:m/z	Relative Intensity
51.74364	1.2
55.01857	1.2
57.03441	3.7
59.01380	100.0
61.98825	1.5
66.17142	1.0
70.69327	2.6
71.01380	20.3
72.99320	1.7
73.02948	3.1
74.10578	1.1
75.00868	5.5
75.19197	1.1
76.48974	1.1
83.01353	1.5
85.02936	4.0
89.02439	16.5
89.34344	1.2
99.04507	10.4
101.02426	9.7
113.02464	6.4
119.03487	4.1
135.03000	10.7
149.02402	2.7
150.03290	6.8
165.05521	5.5
165.12840	6.0
177.04033	2.0
179.05658	1.4
195.06609	6.1
207.13885	13.3
209.11824	35.1
210.12202	2.0
215.81026	1.1
223.06122	2.3
225.14932	14.9
251.12817	5.6
269.13940	72.6
270.14154	3.4
313.20505	1.1
357.13428	2.6
387.16574	4.0
449.20212	82.4
450.20352	6.1
523.27368	1.8
567.22852	91.0
567.29968	4.6
568.23090	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	565.3592
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	11.8
61.98836	4.7
71.01368	2.1
71.50366	2.3
74.53902	1.4
78.95904	2.2
85.02956	2.0
94.47172	1.3
104.09035	1.6
106.08733	1.6
152.99565	4.0
160.10942	1.5
177.50055	1.6
235.08167	2.8
253.09245	11.5
255.23320	10.0
269.24850	100.0
270.25177	8.1
419.01187	1.7
483.27420	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	566.2089
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.3
56.27663	0.3
59.01379	2.9
61.98829	100.0
69.62604	2.1
71.01373	1.6
72.99323	0.7
73.02959	0.9
76.83652	0.4
78.91890	0.3
80.91695	0.4
83.01412	0.5
85.02958	0.8
87.00889	0.8
89.02471	0.5
99.00887	0.8
101.02450	0.9
111.00886	0.4
113.02457	0.6
120.99680	1.6
122.02490	0.8
125.02450	0.5
127.00431	0.5
139.00374	0.3
147.04494	0.4
252.11177	0.6
269.17441	0.6
287.18771	0.5
295.09952	0.6
296.10175	0.7
301.03162	0.6
335.74017	0.3
566.21747	0.5
566.30414	0.6
567.25482	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.2349
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	51.5
71.55198	2.8
78.95901	55.0
80.30757	1.8
87.94026	1.6
96.96987	3.7
127.06361	1.7
152.99585	63.8
171.00621	14.6
196.89642	2.0
201.24146	1.8
204.25386	2.2
227.03307	3.4
237.97539	2.1
245.04306	97.0
246.04744	2.9
253.21724	52.8
253.24365	2.6
254.21980	5.4
330.01889	2.3
338.19504	3.3
418.23459	1.7
481.25702	100.0
482.26111	7.5
566.23370	18.8
567.28320	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	565.2865
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	2.7
57.03429	2.9
58.00591	2.0
58.47345	0.9
59.01381	51.3
61.98833	7.1
67.65433	1.0
69.03452	1.2
69.42199	4.1
69.42624	4.5
70.68811	1.0
70.93568	0.9
71.01385	42.1
72.99297	2.1
73.02940	11.8
75.00885	1.1
83.01405	7.2
85.02953	16.7
85.26289	1.0
87.00870	3.2
89.01926	1.9
89.02444	23.9
96.69144	1.0
97.02914	2.0
99.00876	4.8
101.02444	29.6
111.00883	3.2
113.02441	11.4
119.03516	1.3
125.02465	2.2
131.03508	11.0
133.19391	1.0
135.02980	1.7
143.03465	2.2
149.04523	5.7
159.92230	1.2
161.04558	8.1
175.06207	1.0
233.06665	2.7
255.02945	1.6
271.02502	6.3
300.02637	9.8
301.03503	1.0
361.16656	2.6
373.22342	18.4
505.26553	100.0
506.27008	11.4
565.11932	6.4
565.28149	4.6
566.12421	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2139
Annotation	Unknow
Peak:m/z	Relative Intensity
56.24890	2.0
57.03433	6.6
59.01380	100.0
60.70914	1.8
61.98823	3.8
65.15340	1.7
69.03457	14.8
69.20868	21.2
71.01384	41.8
71.05020	7.7
72.99296	5.6
73.02944	4.9
75.00875	22.4
82.49427	1.9
83.01405	2.9
83.05019	7.1
85.02959	9.7
86.57830	1.8
87.00880	4.2
89.02442	45.1
97.02924	3.7
99.00880	6.6
99.04489	9.4
101.02454	18.0
109.06563	3.4
113.02448	9.6
119.03493	12.8
120.08189	2.4
126.36842	1.8
135.03001	72.3
141.01820	2.5
143.03487	3.9
149.04572	3.7
150.03395	2.2
161.13330	2.6
163.11346	10.0
177.04094	2.4
179.05650	12.0
179.14398	4.7
185.00922	16.4
201.46080	1.9
205.12297	5.8
207.10249	46.3
223.13412	21.4
234.49539	2.4
249.11359	3.3
263.05594	4.0
267.12326	41.8
268.12711	2.8
302.24176	2.1
379.19717	3.1
403.15933	3.7
447.18567	82.4
448.19006	6.8
496.88034	2.3
505.22696	4.3
560.92651	2.5
565.13763	3.3
565.21271	88.3
565.28192	4.2
566.21588	8.9
566.30756	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	565.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03467	0.8
58.00598	0.9
59.01379	34.8
61.98828	1.8
69.44126	5.1
71.01384	17.8
72.99318	3.5
73.02935	0.8
75.00871	27.8
79.05529	0.7
81.07101	1.6
83.01384	0.9
85.02950	3.5
87.00882	1.9
88.98814	0.8
89.02447	24.0
95.01363	1.6
97.36142	0.7
99.04525	1.5
101.02446	9.8
109.06602	1.5
113.02449	6.1
117.01942	2.6
119.03498	7.6
125.06116	1.2
131.03461	1.0
132.91316	0.8
135.02998	100.0
135.11792	0.8
136.03339	1.5
141.05592	1.8
143.03540	1.3
149.04572	1.0
149.05981	0.8
161.04524	1.9
161.09656	1.0
161.13338	1.1
179.05653	5.4
179.10776	5.9
185.00755	0.7
205.12358	2.6
207.10315	1.3
223.09795	13.3
223.13315	7.7
267.12311	3.8
312.38763	0.7
385.14813	3.2
385.19125	0.8
403.15729	10.5
403.19540	1.1
429.17459	0.9
447.18097	3.4
547.20502	1.2
565.21191	28.2
566.21356	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	565.2499
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	4.9
58.00613	2.4
59.01379	96.8
61.98822	10.8
69.03454	3.0
69.84857	12.6
71.01381	42.4
72.99303	9.3
73.02946	11.4
74.99057	2.9
75.00872	37.8
83.01385	5.9
83.05026	7.5
85.02943	14.8
87.00869	9.6
87.04520	6.8
88.98816	4.5
89.02441	48.5
95.04988	3.2
96.96011	3.5
97.06562	4.1
99.00888	3.3
99.04520	11.4
101.02444	28.8
107.05106	2.7
109.06570	4.2
111.04501	3.5
113.02454	16.7
115.00380	3.3
115.07639	3.2
117.01941	6.3
119.03506	20.4
120.99715	2.4
123.08155	5.1
124.91922	2.5
125.02455	3.3
125.06091	3.9
135.02997	100.0
141.05574	6.2
142.35144	2.3
145.09882	2.9
149.04506	4.1
151.07646	5.0
161.04518	6.8
161.13316	2.9
163.11238	7.8
169.08693	4.4
177.04071	3.9
179.05606	11.2
179.10785	3.8
205.12288	3.6
207.10240	20.5
223.09770	7.3
223.13365	13.8
267.12396	20.9
301.16516	51.7
302.16690	3.1
359.11322	3.7
385.14523	5.8
403.15491	4.4
445.20670	24.5
447.18521	48.2
448.18857	4.3
463.21750	33.7
467.27631	2.7
505.22885	63.2
506.22858	3.4
565.21155	49.1
565.33295	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	565.215
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87901	1.5
55.01859	2.4
57.03443	9.8
58.00569	2.9
59.01380	97.8
61.98830	19.2
71.01384	43.2
71.05024	33.2
71.55587	2.7
72.24802	1.9
72.99311	4.8
73.02951	9.6
75.00889	10.5
83.01390	3.6
83.05025	9.8
85.02946	9.8
87.00861	3.3
89.02446	35.5
95.01367	3.3
97.06569	4.8
99.00881	3.0
99.04497	7.1
101.02451	23.1
109.06565	2.8
111.08155	6.7
113.02451	16.9
119.03531	10.1
127.92410	1.8
129.01913	1.7
135.02010	2.4
135.02989	32.5
135.04488	1.7
143.03448	2.6
151.11287	2.0
161.04500	3.5
161.13309	3.2
163.11311	13.5
165.91177	1.7
177.04071	3.6
177.09088	2.5
179.05621	2.9
179.12985	2.5
179.14423	28.6
193.05032	3.9
205.12279	6.5
207.10249	24.1
223.13385	30.1
224.13608	1.9
225.11354	1.7
255.02925	5.2
256.03198	6.2
257.03497	5.3
267.12357	81.2
268.12509	3.5
271.02448	2.7
283.02448	11.2
284.02841	10.2
285.03018	14.7
286.04208	3.6
287.04459	4.0
300.02640	4.8
385.14624	7.9
385.18741	6.6
387.16290	2.3
419.08768	3.0
430.08588	2.4
431.09293	4.9
432.09409	8.3
433.10220	4.0
447.18542	100.0
448.18774	9.0
449.20181	2.5
479.24826	2.8
505.22574	6.5
521.26086	10.7
565.14001	14.6
565.21283	82.8
565.28180	9.0
566.14069	2.1
566.21582	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	565.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
55.64028	1.3
57.03440	2.2
57.38525	1.3
58.00586	2.1
59.01382	67.4
60.99308	4.6
61.98836	7.4
69.03432	1.3
71.01003	2.5
71.01382	37.0
72.99304	5.5
73.02940	3.8
75.00869	17.8
83.01368	2.7
85.02956	8.8
87.00883	3.9
88.98806	36.3
89.01933	2.4
89.02450	39.4
95.01394	2.2
95.05047	1.8
98.19938	3.4
99.04504	2.7
101.02453	20.4
109.06588	2.1
113.02460	14.6
119.03507	15.9
131.03511	1.7
135.02997	70.2
135.11838	2.7
143.03505	3.2
161.04555	4.7
161.09689	5.2
167.03529	1.4
179.05640	10.8
179.10774	37.9
193.05014	2.2
202.22472	1.3
203.10844	1.6
205.08643	2.6
205.12296	2.6
223.09755	69.2
223.13025	8.2
224.10127	2.8
254.25816	1.4
258.18127	1.4
265.10742	3.2
267.12344	4.8
385.14880	8.8
403.16074	100.0
404.16470	6.9
447.18155	8.2
479.24948	1.9
505.20892	1.5
521.26300	3.4
565.12128	3.5
565.20898	33.8
566.22351	1.9
566.31885	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	565.2139
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94507	0.9
55.01871	2.7
57.03437	2.9
58.00601	1.2
59.01381	46.0
61.25008	0.9
61.98829	11.9
63.95551	1.0
67.61466	0.8
68.99812	1.7
69.03471	2.1
71.01383	24.4
72.99300	2.7
73.02943	13.1
75.00872	3.7
78.91878	2.8
83.01389	6.3
85.02946	11.6
86.00097	1.9
87.00874	7.0
87.04523	1.4
89.02451	6.7
90.84195	0.9
93.03455	2.3
95.01385	2.9
96.96000	3.8
97.02962	2.0
98.19921	3.8
99.00258	1.0
99.00880	4.3
99.04514	1.2
101.02444	16.6
111.00877	4.0
112.98807	1.7
113.02454	8.1
116.92868	1.7
119.03524	1.6
120.99645	3.6
123.00901	1.4
125.02435	2.4
125.09718	1.3
127.00377	1.5
135.02994	1.8
137.02443	4.3
139.00386	1.5
139.07654	1.0
141.01924	1.0
147.04555	2.7
149.02396	2.4
150.03214	2.8
151.00420	1.4
153.01933	1.3
161.04465	1.6
165.05562	3.8
166.99835	1.8
171.10208	2.3
181.01454	1.3
181.12288	1.5
187.09789	1.7
195.06580	2.5
199.13329	7.8
201.11298	2.5
207.11754	1.2
215.12865	5.0
223.05949	1.1
224.06519	1.2
241.14545	2.1
243.03098	1.3
244.34224	1.0
251.10873	2.0
255.02995	2.8
256.03171	1.2
271.02365	2.8
284.03241	1.5
285.03854	1.4
287.04105	1.1
287.18652	1.8
295.09653	5.3
300.02817	4.7
315.18185	7.0
316.95349	1.1
317.19672	4.0
343.17804	9.3
343.21512	1.9
361.18646	43.8
362.18866	2.7
369.13501	1.2
385.22253	1.5
386.56165	1.2
403.19687	100.0
404.20114	5.2
405.24725	1.2
447.22244	2.3
479.21426	1.1
505.26273	3.4
521.22272	24.9
522.22650	2.8
523.27679	4.3
565.12927	3.7
565.28516	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	564.3309
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01107	1.4
59.01379	17.8
61.98825	7.0
66.89336	1.0
74.20342	1.1
78.41336	0.8
78.95898	5.6
94.82919	0.8
108.40285	1.0
140.26350	1.0
152.99524	1.5
168.04248	1.5
189.85257	0.9
224.06909	1.1
242.07928	1.5
265.21707	100.0
266.22055	5.0
392.05759	0.9
490.29471	25.6
491.29800	3.0
562.44171	1.0
565.11981	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.12
Annotation	Quercetin 3-xylosyl-(1->2)-alpha-L-arabinofuranoside
Peak:m/z	Relative Intensity
59.01379	1.7
61.98821	1.3
63.02364	0.3
65.00318	0.5
69.31278	1.9
69.31684	0.6
70.98328	0.2
71.01379	1.1
73.02935	0.6
75.15557	0.3
83.01394	0.4
89.02431	0.8
91.01883	0.3
101.02451	0.4
107.01381	1.4
108.02181	1.5
109.02962	0.3
112.46034	0.3
119.03535	0.3
121.02980	0.6
123.00872	0.3
128.34225	0.3
135.00890	0.9
135.02994	0.8
143.56105	0.3
148.01678	1.5
151.00385	5.0
159.98087	0.3
163.00349	0.9
164.01140	0.9
169.01427	0.3
178.99884	3.2
181.12421	0.3
187.03957	0.3
192.00623	0.4
199.04027	0.7
201.29849	0.2
211.03976	0.5
213.05661	0.3
215.03482	0.5
216.04332	0.6
225.11404	1.3
226.02670	1.4
227.03494	2.4
240.36378	0.3
243.02986	9.8
244.03496	0.6
254.02190	1.5
255.02975	24.4
256.03369	1.3
271.02469	53.6
272.02936	4.4
299.01978	1.8
300.02744	100.0
301.03311	12.9
302.03955	0.3
405.17654	0.9
433.07800	0.4
445.64328	0.3
447.22559	0.4
465.52435	0.3
565.11969	70.8
566.12366	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	565.1352
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.7
59.01377	1.1
61.98826	0.5
63.09870	0.2
66.40063	0.2
67.01902	0.4
68.99821	2.0
69.03449	0.7
69.41761	1.8
71.01381	5.1
72.38536	0.2
72.99299	1.0
73.02927	0.7
75.00861	0.5
81.03465	0.7
83.01374	2.1
85.02953	1.7
87.00877	9.9
88.29549	0.2
91.05505	0.3
93.03451	0.8
95.01374	1.0
96.98714	0.4
96.99313	6.5
97.02959	1.1
99.00872	2.2
101.02457	0.5
101.03962	0.3
103.05533	1.9
105.40484	0.2
109.02938	1.3
111.00880	3.7
112.98830	0.3
113.02444	1.5
115.00379	0.5
115.05538	6.4
117.03449	1.2
119.05019	0.6
121.02951	0.7
123.00867	0.7
125.02407	1.2
127.00366	7.8
127.04012	0.3
129.01942	2.6
129.07109	0.3
131.05054	0.5
133.06540	0.2
137.02440	0.9
139.00369	3.5
140.01044	0.2
141.01936	1.8
145.01443	0.6
145.06589	0.4
147.04523	27.3
148.04855	0.7
151.00368	0.4
153.01961	1.1
154.99864	0.3
157.01424	3.9
159.02986	0.4
159.04295	0.2
165.01923	0.6
166.99843	0.3
169.01439	2.3
175.02399	0.7
181.01366	0.9
183.02956	1.8
191.08652	0.5
199.02473	3.3
205.10229	3.3
207.11771	2.9
211.02461	10.1
212.02844	0.4
224.24275	0.3
229.03488	2.5
233.09706	18.3
234.10016	0.9
249.09386	0.4
251.08188	0.3
251.10753	5.8
252.11154	0.3
263.10895	0.2
277.08670	6.4
278.09006	0.4
287.04111	0.7
295.09738	100.0
296.10080	7.8
300.02737	0.7
354.37872	0.3
488.20584	0.3
508.62827	0.3
536.80206	0.2
565.12830	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.135
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.8
57.03433	0.4
59.01376	1.0
61.98829	0.7
67.01872	0.5
68.99817	2.7
69.03457	0.8
71.01382	5.4
72.99319	0.8
73.02931	1.1
75.00871	0.5
77.04025	0.3
81.03467	0.6
83.01394	2.2
85.02956	2.0
87.00875	10.1
87.50603	0.2
91.05529	0.3
93.03442	0.5
95.01395	0.9
96.99317	5.4
97.02950	0.8
98.20663	0.5
99.00893	2.1
101.02437	0.8
101.03971	0.3
103.00361	0.3
103.05540	2.0
104.03976	0.2
105.02023	0.2
107.01415	0.2
109.02969	0.7
111.00890	3.5
112.98832	0.5
113.02460	1.3
115.00382	0.7
115.05538	5.5
116.05906	0.2
117.03476	0.9
119.05017	0.8
121.02966	0.5
123.00918	0.6
125.02435	1.8
125.99625	0.4
127.00373	8.2
129.01935	3.1
129.07141	0.5
131.05034	0.6
131.51158	0.2
132.72728	0.2
135.00891	0.2
137.02449	0.7
139.00369	4.0
141.01944	1.6
145.01424	0.4
145.06618	0.2
147.04523	29.3
148.04877	0.9
153.01945	1.7
154.99843	0.4
157.01419	4.4
159.02969	0.7
165.01929	0.8
166.99893	0.5
167.42691	0.2
169.01451	2.9
175.02458	1.1
181.01376	1.1
183.02969	1.5
191.08604	0.4
199.02473	4.0
200.02753	0.2
204.32790	0.2
205.10240	3.0
207.11775	2.8
208.12140	0.4
211.02470	8.7
212.02708	0.2
224.38275	0.2
229.03539	3.4
233.09698	15.0
234.10007	1.3
251.10777	7.2
251.13011	0.2
252.11174	0.4
277.08679	5.8
284.03104	0.3
285.03906	0.2
287.04123	0.4
295.09741	100.0
296.10056	6.8
300.02777	0.3
345.10730	0.2
421.93707	0.3
504.73370	0.2
565.13275	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.2295
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.6
57.03452	0.6
59.01381	8.7
60.01715	0.3
61.98829	100.0
67.01905	0.3
68.99821	0.7
69.18462	1.2
69.18882	1.9
71.01385	4.0
71.90136	0.3
72.99308	1.0
73.02948	0.8
75.00896	0.3
78.99634	0.3
81.03473	0.5
83.01392	1.3
85.02963	1.8
87.00874	3.0
89.02454	1.0
93.03471	0.5
95.01379	0.6
96.99306	0.5
97.02982	0.6
98.20685	0.7
99.00892	1.5
101.02463	1.7
103.05554	0.4
109.02941	0.8
111.00892	1.5
112.98823	0.5
113.02438	1.6
115.05510	0.5
123.00900	0.7
125.02446	0.6
127.00393	1.2
129.01974	1.2
137.02441	0.8
139.00362	2.1
141.01945	0.6
147.04498	2.1
149.04582	0.5
151.00371	0.6
153.01961	0.7
154.99883	0.6
157.01421	1.3
161.04631	0.4
161.06055	0.4
165.01913	0.6
166.99889	1.0
169.01477	0.9
175.02463	0.4
181.01402	0.6
183.02945	0.4
191.08722	0.4
193.50410	0.3
199.02429	0.4
201.15018	0.3
205.10274	0.9
207.11855	1.0
211.02444	2.2
233.09644	2.0
251.10799	4.4
255.03035	0.8
256.03232	0.7
256.85257	0.3
271.02554	1.3
277.08780	0.5
283.02509	0.6
284.02991	0.9
285.03784	1.1
286.04596	0.4
287.04172	1.2
295.06415	0.7
295.09741	14.1
300.02698	2.1
337.10721	0.7
351.19037	0.3
359.28189	0.4
431.09888	0.4
458.93457	0.4
469.41266	0.3
503.32364	1.3
504.32590	2.0
505.33545	0.6
521.33221	0.5
522.33966	0.8
564.14886	1.6
564.30853	1.3
565.12695	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	563.2711
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00594	0.3
59.01381	9.7
61.98837	1.6
63.02403	0.4
65.00323	0.6
71.00962	0.4
71.01379	6.1
71.55855	0.3
72.54063	0.2
72.99317	0.5
73.02946	1.7
74.02473	0.4
75.00887	0.3
78.60476	0.2
82.67468	0.2
83.01394	0.8
85.02959	1.1
87.00874	0.8
87.04525	0.2
88.98775	0.3
89.02443	8.2
90.98587	0.2
93.03440	0.6
95.01380	0.4
96.96059	0.3
97.02968	0.3
99.00886	0.2
101.02437	4.2
105.01916	0.4
107.01395	1.5
109.02968	0.2
111.00868	0.3
111.04543	0.3
113.02422	1.3
117.03458	0.2
119.03517	0.9
119.05051	0.6
121.02957	0.3
122.03781	0.2
125.02483	0.3
131.03496	3.0
132.02187	1.5
135.00903	1.1
135.03035	0.3
137.02408	0.3
143.05048	0.4
147.04533	0.2
149.04543	7.5
150.03169	0.3
151.00380	2.2
152.01126	0.3
158.03722	0.2
159.04503	1.0
160.05278	1.6
161.04611	0.3
161.06036	0.6
163.00377	1.4
164.01169	0.5
164.04785	0.4
165.01857	0.3
165.05658	0.2
167.05002	0.5
171.04553	0.4
173.06073	0.5
175.07628	1.7
177.01807	0.2
177.05550	0.5
178.06398	0.4
178.99831	1.0
183.04529	0.9
184.05145	0.2
185.02481	0.4
185.06125	0.9
187.03989	0.9
189.05537	0.6
190.99899	0.3
191.05643	1.4
193.05052	0.4
195.04578	0.3
199.03981	0.6
200.04774	0.4
205.12234	0.2
209.00990	0.2
211.03981	2.2
212.04738	0.3
213.05545	0.8
227.03493	37.4
228.03882	2.3
229.05051	3.5
230.05414	0.2
239.03525	1.3
240.04367	0.3
241.05072	0.6
251.13002	0.3
255.02983	70.8
256.03494	7.3
257.04556	2.6
267.03015	0.5
283.02457	1.5
284.03250	100.0
285.03943	29.3
286.04471	1.5
299.09082	0.3
309.04089	0.2
311.09363	0.4
314.11765	0.4
329.13937	6.6
330.14258	0.6
341.13943	0.4
383.17053	0.2
399.07376	1.1
401.21930	0.3
445.20975	0.3
475.15158	0.4
503.25171	1.2
520.27502	0.7
521.26019	0.4
563.14038	71.4
563.26410	1.9
564.14355	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	563.2603
Annotation	Unknow
Peak:m/z	Relative Intensity
57.06693	3.3
59.01375	4.9
61.98814	13.3
68.32148	3.3
71.54995	4.9
78.95905	56.3
85.34999	3.6
112.81686	3.8
124.41013	3.1
152.99570	56.4
171.00635	17.4
204.14732	3.5
227.03252	4.9
233.30661	3.5
245.04274	87.2
253.21712	47.1
255.02959	7.1
283.02380	7.5
284.03348	4.1
285.03882	4.7
478.29224	5.1
481.25674	100.0
482.26007	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	563.2708
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	3.6
57.03447	6.0
58.00602	2.8
59.01377	100.0
59.56351	1.8
60.01722	2.7
61.98824	54.8
69.22926	4.9
69.23343	13.1
71.01380	62.2
72.99302	5.4
73.02942	23.6
74.99087	2.9
75.00889	4.1
81.03489	2.2
82.07000	2.0
83.01398	11.1
85.02937	23.9
86.54465	2.0
87.00882	6.6
88.98794	7.7
89.02444	41.9
95.01372	4.0
96.96011	4.9
97.02956	2.9
99.00868	6.5
99.04510	4.5
101.02440	49.3
105.01918	13.1
106.02264	3.1
109.02937	4.1
111.00879	11.0
113.02454	19.4
114.02733	1.7
119.03468	5.9
125.02417	5.7
131.03506	17.1
134.03741	2.3
135.02965	5.2
135.04564	2.2
136.99100	3.0
137.02324	2.4
143.03513	5.2
149.04544	15.9
150.04938	1.9
157.06578	7.3
159.03038	2.5
161.04549	11.8
165.05511	2.5
175.04036	1.8
175.07597	3.4
181.05016	2.2
189.05547	3.2
193.05006	3.5
227.03439	6.1
233.06567	3.6
235.87833	1.9
236.62001	2.1
255.03023	16.9
283.02481	7.9
284.03287	21.8
285.04074	7.0
291.09976	1.8
299.29453	1.9
309.07556	3.1
311.09293	2.9
326.11359	2.8
329.13995	2.6
344.12631	3.0
355.13629	2.1
359.14896	13.1
371.20596	17.2
383.11337	10.0
383.20731	2.1
389.16397	2.4
397.15018	15.0
403.23340	3.0
417.08636	2.1
430.08871	2.3
445.20822	3.4
475.14590	2.5
503.18900	25.2
503.25015	95.7
504.18848	4.2
504.25433	8.3
513.72424	2.0
519.24872	3.3
521.20148	15.6
522.20422	2.4
563.14148	18.4
563.27899	15.0
564.13654	3.0
577.11481	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2708
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	3.6
57.03447	6.0
58.00602	2.8
59.01377	100.0
59.56351	1.8
60.01722	2.7
61.98824	54.8
69.22926	4.9
69.23343	13.1
71.01380	62.2
72.99302	5.4
73.02942	23.6
74.99087	2.9
75.00889	4.1
81.03489	2.2
82.07000	2.0
83.01398	11.1
85.02937	23.9
86.54465	2.0
87.00882	6.6
88.98794	7.7
89.02444	41.9
95.01372	4.0
96.96011	4.9
97.02956	2.9
99.00868	6.5
99.04510	4.5
101.02440	49.3
105.01918	13.1
106.02264	3.1
109.02937	4.1
111.00879	11.0
113.02454	19.4
114.02733	1.7
119.03468	5.9
125.02417	5.7
131.03506	17.1
134.03741	2.3
135.02965	5.2
135.04564	2.2
136.99100	3.0
137.02324	2.4
143.03513	5.2
149.04544	15.9
150.04938	1.9
157.06578	7.3
159.03038	2.5
161.04549	11.8
165.05511	2.5
175.04036	1.8
175.07597	3.4
181.05016	2.2
189.05547	3.2
193.05006	3.5
227.03439	6.1
233.06567	3.6
235.87833	1.9
236.62001	2.1
255.03023	16.9
283.02481	7.9
284.03287	21.8
285.04074	7.0
291.09976	1.8
299.29453	1.9
309.07556	3.1
311.09293	2.9
326.11359	2.8
329.13995	2.6
344.12631	3.0
355.13629	2.1
359.14896	13.1
371.20596	17.2
383.11337	10.0
383.20731	2.1
389.16397	2.4
397.15018	15.0
403.23340	3.0
417.08636	2.1
430.08871	2.3
445.20822	3.4
475.14590	2.5
503.18900	25.2
503.25015	95.7
504.18848	4.2
504.25433	8.3
513.72424	2.0
519.24872	3.3
521.20148	15.6
522.20422	2.4
563.14148	18.4
563.27899	15.0
564.13654	3.0
577.11481	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2346
Annotation	Unknow
Peak:m/z	Relative Intensity
54.95741	1.4
55.01888	2.2
58.00595	2.4
59.01380	100.0
61.98830	28.0
64.20897	1.5
69.03447	2.0
71.01385	40.5
71.55142	2.8
71.55493	1.5
72.99318	4.9
73.02943	36.5
75.00897	3.4
81.50777	1.4
83.01374	7.8
85.02950	10.2
87.00888	3.3
88.98825	3.5
89.02444	38.9
90.43040	1.3
95.01392	1.9
96.96017	5.1
98.95586	4.4
99.00860	2.0
101.02445	42.4
101.39845	1.4
111.00886	2.1
113.02451	17.9
115.81360	1.5
119.03536	7.4
119.05016	1.7
125.02367	1.7
125.28394	1.4
131.03511	16.9
135.02997	6.8
143.03516	3.5
146.55916	1.4
147.79544	1.4
149.04561	42.4
150.03276	1.6
159.04460	1.6
160.05296	1.6
161.04549	12.1
175.07684	8.3
191.05603	6.1
191.07143	1.5
203.05548	2.3
221.06679	3.8
233.67923	1.4
251.12907	2.0
255.03104	2.1
269.12384	1.6
270.01538	2.6
283.02484	3.7
284.03122	2.3
285.03989	5.2
293.21338	1.6
299.01941	2.3
311.09525	2.2
329.14026	3.3
341.13931	2.9
344.12518	2.2
359.15015	5.6
391.85788	1.5
402.70914	1.5
431.09979	1.8
438.00070	1.6
445.20578	3.4
486.54218	1.4
503.19186	19.2
504.19949	1.7
519.24365	1.5
521.20111	8.9
548.59601	1.5
563.26758	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	563.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	3.6
57.03451	2.6
58.00586	3.0
59.01379	83.3
61.98833	8.1
69.03430	1.8
69.33192	3.1
69.33591	12.4
71.01377	32.1
72.99298	4.7
73.02952	14.3
75.00876	2.8
83.01402	6.5
85.02951	15.2
86.00098	2.5
87.00877	5.6
89.02441	8.1
90.02718	1.5
92.45764	1.3
95.01397	2.2
97.02983	2.2
99.00880	2.9
101.02435	20.8
111.00898	1.9
113.02459	9.8
117.37053	1.3
119.03530	2.1
121.02935	8.1
125.02456	3.2
129.29756	1.6
131.03491	2.9
134.03732	1.7
135.04460	1.7
143.03505	2.5
145.02933	3.5
147.04523	2.9
149.04526	1.8
159.03157	1.5
159.04535	4.6
168.04283	1.5
193.05061	3.6
205.59851	1.6
223.30324	1.5
227.03479	2.1
238.06366	2.9
240.04280	2.2
253.08701	2.1
255.03001	6.3
255.06769	2.9
265.08563	3.2
267.06522	4.8
268.07352	5.6
269.08359	7.0
270.08899	2.8
280.07388	2.9
281.08215	16.6
282.08926	8.9
283.02576	2.5
283.09723	7.9
284.03244	8.4
293.08148	5.9
295.09677	6.3
296.10400	3.7
297.11279	2.3
299.09164	5.7
300.09537	1.8
309.11295	1.6
311.09317	9.3
311.12286	1.7
314.08075	3.2
314.11588	10.6
315.12225	5.3
325.10855	1.7
326.11597	18.8
327.12326	10.7
328.12582	1.6
329.13943	14.1
339.15549	1.4
340.09393	2.7
341.13885	12.1
343.11630	3.3
355.11932	8.0
356.12473	2.5
369.13284	3.2
371.15045	1.5
445.20724	1.8
455.13452	5.6
458.15549	8.5
470.15790	9.3
473.18411	52.6
474.18585	6.2
476.16696	11.0
485.18195	72.8
486.18631	8.1
488.16708	7.9
491.19244	51.4
492.19519	5.9
503.19232	100.0
504.19284	10.5
530.17664	1.9
533.20270	66.8
534.20490	7.8
545.20251	48.1
546.20508	5.4
563.14105	3.8
563.26831	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04834	3.8
57.62828	3.1
59.01375	100.0
61.98842	8.2
67.20393	4.2
69.03464	8.2
69.19340	33.3
71.01383	41.6
72.72622	3.3
72.99296	5.7
73.02952	41.1
75.00880	8.0
81.03463	3.4
83.01387	13.4
85.02944	9.4
85.69003	3.6
89.02448	19.6
93.03478	4.9
97.02959	4.3
101.02444	38.7
109.02946	7.7
113.02463	16.8
119.03502	9.9
121.02938	13.0
123.04529	9.2
130.31238	3.8
131.03514	4.6
135.03006	20.7
135.04541	7.4
135.08159	7.1
139.04068	7.6
143.03529	5.3
149.04543	9.3
149.06122	7.1
159.04607	4.9
161.04547	16.5
163.07632	7.1
175.07675	5.8
185.00858	3.6
193.08733	10.0
203.07205	6.9
221.06407	4.9
221.08363	27.9
222.08484	4.3
239.09216	7.1
267.21243	3.7
297.13364	15.9
344.12738	4.2
359.15039	9.8
445.16959	5.3
461.20572	7.0
501.10104	4.1
521.22461	8.0
563.19165	7.5
582.74603	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	563.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	3.6
57.03451	2.6
58.00586	3.0
59.01379	83.3
61.98833	8.1
69.03430	1.8
69.33192	3.1
69.33591	12.4
71.01377	32.1
72.99298	4.7
73.02952	14.3
75.00876	2.8
83.01402	6.5
85.02951	15.2
86.00098	2.5
87.00877	5.6
89.02441	8.1
90.02718	1.5
92.45764	1.3
95.01397	2.2
97.02983	2.2
99.00880	2.9
101.02435	20.8
111.00898	1.9
113.02459	9.8
117.37053	1.3
119.03530	2.1
121.02935	8.1
125.02456	3.2
129.29756	1.6
131.03491	2.9
134.03732	1.7
135.04460	1.7
143.03505	2.5
145.02933	3.5
147.04523	2.9
149.04526	1.8
159.03157	1.5
159.04535	4.6
168.04283	1.5
193.05061	3.6
205.59851	1.6
223.30324	1.5
227.03479	2.1
238.06366	2.9
240.04280	2.2
253.08701	2.1
255.03001	6.3
255.06769	2.9
265.08563	3.2
267.06522	4.8
268.07352	5.6
269.08359	7.0
270.08899	2.8
280.07388	2.9
281.08215	16.6
282.08926	8.9
283.02576	2.5
283.09723	7.9
284.03244	8.4
293.08148	5.9
295.09677	6.3
296.10400	3.7
297.11279	2.3
299.09164	5.7
300.09537	1.8
309.11295	1.6
311.09317	9.3
311.12286	1.7
314.08075	3.2
314.11588	10.6
315.12225	5.3
325.10855	1.7
326.11597	18.8
327.12326	10.7
328.12582	1.6
329.13943	14.1
339.15549	1.4
340.09393	2.7
341.13885	12.1
343.11630	3.3
355.11932	8.0
356.12473	2.5
369.13284	3.2
371.15045	1.5
445.20724	1.8
455.13452	5.6
458.15549	8.5
470.15790	9.3
473.18411	52.6
474.18585	6.2
476.16696	11.0
485.18195	72.8
486.18631	8.1
488.16708	7.9
491.19244	51.4
492.19519	5.9
503.19232	100.0
504.19284	10.5
530.17664	1.9
533.20270	66.8
534.20490	7.8
545.20251	48.1
546.20508	5.4
563.14105	3.8
563.26831	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1405
Annotation	Kapinnatoside
Peak:m/z	Relative Intensity
57.20471	0.3
59.01376	3.5
61.98831	1.9
63.02425	0.3
65.00355	0.5
69.03488	0.3
69.35569	3.0
71.01383	1.3
74.36381	0.4
75.23269	0.3
83.01393	0.7
85.02969	0.5
89.02443	1.2
93.03452	0.6
98.19918	0.6
101.02457	0.6
107.01392	0.5
113.02461	0.5
115.00261	0.3
117.03426	0.5
119.03561	0.4
135.02995	1.0
137.02440	0.3
151.00375	1.7
152.85045	0.3
159.04524	0.9
163.00519	0.3
169.06613	0.9
171.04486	0.6
177.04073	0.6
179.10794	0.6
183.04491	2.9
185.06026	0.8
187.04033	0.8
189.05576	1.1
189.23917	0.4
193.05135	0.4
195.04596	0.4
211.03955	2.2
213.05637	1.1
217.20689	0.4
221.75723	0.3
223.09717	0.7
227.03481	4.0
229.04979	0.6
239.03334	0.4
243.03027	0.7
255.02977	40.4
256.03387	2.5
257.04520	1.0
283.02472	100.0
284.02997	9.6
285.04037	29.2
286.04193	1.6
417.08261	12.7
417.13815	0.7
418.08389	0.8
430.09006	36.1
431.09763	10.4
432.10107	0.6
473.09744	0.4
503.21375	0.7
563.13971	56.2
564.14343	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	563.1617
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.6
57.03434	1.2
59.01372	1.9
61.98565	1.0
61.98831	9.0
67.01891	0.9
68.99802	0.9
69.03453	0.9
69.89028	0.8
70.66479	2.4
71.01377	7.9
72.88192	0.9
72.99316	1.6
73.02953	5.2
74.22352	0.8
83.01369	2.8
85.02956	4.9
87.00877	35.2
95.01356	3.9
96.96003	1.1
97.02967	1.1
99.00868	8.0
101.02444	3.3
108.02235	1.1
109.02933	1.1
111.00913	4.9
112.98821	9.6
113.02428	2.2
115.00355	1.1
115.30782	0.9
117.01953	0.9
119.03565	0.9
123.00900	7.7
124.49286	0.8
125.97725	0.9
127.00350	1.1
129.01936	2.7
131.03477	0.9
134.57092	1.0
135.04506	0.8
138.03250	6.7
142.99861	4.8
145.01402	3.5
147.04478	0.9
149.02411	1.5
151.00345	1.4
151.03923	1.2
153.05582	7.6
161.02443	7.8
163.04004	9.2
164.04799	5.8
166.02678	3.4
173.00911	38.3
174.01727	9.6
174.03145	1.9
175.04042	4.5
176.04771	8.6
177.02010	0.8
177.05443	1.1
178.06322	11.1
179.03499	10.9
179.07121	9.9
181.05066	4.4
187.04086	1.1
188.04765	2.2
189.01714	1.0
189.05516	1.8
190.02693	3.2
190.06445	1.2
191.03499	8.4
191.05049	1.3
191.07114	5.3
192.04237	1.7
193.05084	1.7
193.08691	15.9
194.05830	16.9
201.01945	0.9
203.03435	5.4
203.06982	1.4
204.03932	1.0
205.05057	6.1
206.05865	7.0
207.04883	0.9
207.06670	1.7
209.08182	20.9
210.08484	1.3
218.05757	3.5
219.02951	5.9
219.06476	1.5
220.03673	2.1
221.08163	8.8
222.05334	1.1
231.03101	1.5
233.04509	1.8
233.08214	2.3
234.05254	3.9
235.06267	1.8
236.06967	1.3
237.07613	2.4
245.04535	1.2
246.01709	1.2
246.05212	1.6
247.02457	7.4
247.06105	2.5
249.03981	0.9
249.07657	11.1
261.03983	5.3
261.07739	0.9
262.04794	17.3
264.06335	2.4
265.07150	15.7
276.06342	4.7
277.07141	36.7
278.07550	1.8
291.08847	1.8
295.08209	2.2
309.09665	1.4
325.09241	2.0
328.49719	1.0
337.09290	41.1
338.09531	2.8
383.09933	2.8
427.12338	3.2
439.12384	2.4
563.16132	100.0
564.16626	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	562.3148
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	3.3
61.98830	1.0
66.28452	0.4
70.29460	1.7
78.95906	9.5
85.06604	0.8
96.76183	0.4
140.01175	2.9
152.99652	0.9
153.12827	0.5
163.11195	0.5
163.76659	0.5
165.12843	2.2
181.12343	1.2
196.03853	1.5
199.13397	22.8
200.13722	0.8
214.04887	3.6
263.20148	13.0
279.19611	3.3
328.38522	0.5
347.25851	6.1
365.26947	100.0
366.27322	7.4
488.27979	4.3
562.31464	19.3
563.31689	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	563.1403
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25186	0.3
53.13495	0.2
56.57751	0.2
57.94798	0.3
59.01370	2.6
61.98823	0.5
63.02378	0.3
65.00329	0.5
66.55881	0.3
69.51849	1.9
73.02934	0.4
83.01349	0.3
84.38204	0.2
84.66416	0.2
85.02966	0.4
89.02425	2.4
93.03453	0.3
101.02433	1.3
107.01388	1.6
110.57574	0.2
113.12071	0.3
125.44714	0.3
131.03497	1.0
132.02182	1.0
135.00883	0.8
149.04561	2.0
151.00380	1.7
159.04536	0.6
160.05240	0.3
163.00360	1.1
171.04512	0.3
178.99846	1.1
183.04509	0.6
185.02330	0.3
185.06096	0.8
187.03979	0.9
189.05424	0.3
190.99875	0.7
191.05589	0.4
195.04462	0.4
197.06023	0.6
199.04031	0.5
200.04861	0.4
211.04016	1.8
212.04532	0.3
213.01910	0.4
213.05498	0.8
227.03484	33.9
228.03853	1.9
229.05026	3.4
239.03445	1.1
240.04340	0.4
241.04924	0.5
255.02969	66.6
256.03510	6.3
257.04504	2.6
267.02945	0.3
268.78638	0.3
283.02505	1.0
284.03244	100.0
285.03934	28.1
286.04346	1.0
327.04938	0.4
329.14017	1.1
399.07211	1.3
417.08218	0.5
503.25095	0.4
563.14020	76.3
564.14343	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	562.1414
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94542	0.3
54.70729	0.4
55.01881	0.7
57.03426	0.4
59.01379	13.2
60.01741	0.4
61.98829	100.0
62.69240	0.3
69.03455	4.0
70.01220	0.3
70.03792	0.5
71.01375	3.9
71.05033	0.4
71.55394	0.5
72.99319	1.1
73.02959	1.9
83.01392	0.9
85.02961	2.0
87.00902	0.6
89.02444	2.1
95.01385	0.7
96.96015	0.4
97.02963	1.2
99.00882	1.2
101.02441	2.5
102.02785	0.3
113.02454	1.9
119.03478	0.6
119.05025	0.4
135.98413	0.6
141.01912	0.6
149.04585	0.5
161.04543	0.6
168.27684	0.3
175.38786	0.3
185.00911	4.5
186.01288	0.8
201.11395	0.3
227.03577	1.0
251.16563	0.5
255.02971	2.8
283.02460	2.6
284.03253	2.6
285.04178	1.5
311.09555	0.4
359.28217	0.5
375.27612	0.4
400.25168	0.4
417.08490	0.5
430.09192	0.4
455.23230	0.6
503.32144	2.7
518.25842	0.3
561.28748	0.7
562.29749	1.6
563.13837	3.2
563.30615	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.2867
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62902	0.7
61.98829	100.0
66.57964	0.8
71.55325	1.0
73.94902	0.7
80.96516	2.4
89.24265	0.7
121.02963	4.1
164.87830	0.8
179.03459	2.3
204.57112	0.7
225.00716	1.4
237.32814	0.7
277.21576	1.0
283.02521	1.1
365.26892	2.5
563.25128	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	561.2557
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38929	0.9
54.96787	0.8
59.01370	3.2
61.98831	79.5
63.48155	0.9
70.77033	2.0
70.77382	1.3
78.95907	33.9
122.00092	1.0
128.84705	0.9
140.00269	1.1
140.01173	6.3
145.78525	0.9
152.99586	3.5
165.54674	0.8
171.00543	1.0
184.29309	0.9
196.03810	9.6
214.04869	2.1
253.09106	1.1
265.21701	10.4
279.23279	100.0
280.23584	5.2
298.35934	0.8
333.40417	1.0
364.21094	1.7
476.27808	57.1
477.28281	5.5
561.25574	19.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.2556
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.2
59.28738	0.6
61.98830	64.1
70.06445	2.7
76.95462	0.6
77.70622	0.6
78.95907	8.1
92.59272	0.6
92.62977	0.6
99.45231	0.6
110.36453	0.7
140.01184	2.4
152.99515	1.0
163.65111	0.7
166.36407	0.6
196.03809	1.5
214.04762	3.6
216.03812	0.7
220.66103	0.6
244.48735	0.7
252.35210	0.7
258.33823	0.6
279.23273	100.0
280.23593	6.9
302.63733	0.7
314.04651	0.7
351.77194	0.8
354.94238	1.0
364.21039	2.8
447.12091	0.7
476.27829	29.1
477.28281	2.1
561.25586	18.9
561.33746	0.5
562.25812	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	561.3794
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.1
61.27821	1.0
61.98822	2.2
69.22035	0.9
69.46031	2.5
69.46452	4.9
80.18034	0.9
94.33275	1.1
98.20541	1.6
105.02367	1.1
111.08188	1.2
130.02910	0.9
136.40170	0.9
153.91513	0.9
165.12828	12.1
171.31963	1.0
183.13893	100.0
184.12643	0.9
184.14195	3.8
190.62711	0.9
209.11819	5.3
223.34761	0.9
227.12865	6.4
277.21707	71.8
278.22046	5.3
283.15454	2.1
301.16608	8.6
342.46140	0.9
462.11115	1.0
502.22305	1.1
517.25323	3.5
561.37732	10.0
562.38397	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	561.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	4.6
57.03421	5.9
59.01380	85.1
61.98823	11.6
66.18204	3.4
68.88452	2.9
69.22992	5.5
69.23399	27.1
71.01374	43.6
73.02933	20.1
77.31534	3.1
78.87083	3.1
83.01387	7.8
85.02947	19.8
87.00864	3.3
89.02431	9.4
91.09380	3.0
95.01395	4.6
96.96007	12.2
101.02440	25.5
105.49397	3.3
113.02457	20.5
143.03534	3.9
161.04533	14.2
240.29263	3.1
281.37936	3.3
295.17050	9.7
313.18204	21.9
386.93225	3.9
457.22351	37.0
458.22083	4.7
475.23456	17.9
517.24512	100.0
518.24835	9.3
537.11102	3.9
561.29639	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	561.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00770	0.5
57.03449	1.4
58.00590	1.5
58.61273	0.5
59.01377	48.2
61.98820	3.5
64.43903	0.6
69.03450	0.8
71.01378	25.5
72.99305	7.4
73.02943	6.3
75.00866	2.5
82.89442	0.4
83.01379	1.2
85.02952	3.6
87.00872	2.6
88.98817	2.6
89.02441	36.1
90.02759	0.7
93.03450	2.4
96.96011	1.7
96.99316	0.7
97.02952	0.6
99.00896	1.2
101.02435	21.6
102.98606	0.5
105.01932	100.0
106.02261	1.1
113.02445	6.6
119.03540	4.4
119.05025	10.2
121.02942	0.5
125.02440	2.2
126.90386	0.9
130.04193	0.5
131.03499	12.6
131.04951	0.6
132.05804	0.8
137.02379	0.7
141.01962	0.6
143.03496	1.2
143.04947	0.9
145.02934	0.6
147.04526	2.5
149.04552	33.3
150.04890	0.6
161.04526	2.4
161.13470	0.9
163.03967	4.8
179.05579	0.7
191.05615	6.1
195.08170	3.4
197.01765	0.5
203.07195	0.8
205.12383	1.5
207.08057	0.6
221.09718	4.3
223.11263	5.2
224.11705	0.8
229.29968	0.8
237.09152	0.7
248.08241	0.6
249.09204	2.2
249.11392	1.4
267.10300	2.6
281.14172	0.8
293.08389	1.5
311.09592	1.9
361.18781	0.8
375.27481	1.3
399.16321	0.7
429.17606	1.5
473.14471	18.0
474.14761	2.1
521.89178	0.5
561.22058	2.0
561.29333	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02928	1.2
56.99801	1.2
58.00591	2.7
59.01378	90.8
61.02966	1.4
61.98827	17.7
69.03454	9.9
69.36618	3.6
69.37041	5.6
71.01379	57.7
72.99306	4.5
73.02952	8.9
83.01397	2.1
85.02950	7.4
87.00858	7.0
88.03093	1.0
89.02443	93.2
89.63764	1.2
90.02773	1.2
96.96010	2.4
97.02943	1.8
98.20599	2.2
99.00880	2.4
99.04514	1.5
101.02443	44.6
102.02775	1.5
113.02442	11.4
119.03507	6.3
125.02428	1.9
131.03503	31.2
143.03531	2.0
149.04553	100.0
150.04947	1.7
161.04588	3.2
163.67967	1.2
185.00914	9.1
191.05611	15.9
216.01532	1.3
293.09015	1.5
311.09717	3.5
370.70370	1.5
417.02011	1.4
501.30447	1.9
561.29633	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	561.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	1.0
58.00599	2.2
58.56947	0.8
59.01382	60.1
61.98813	2.8
69.03451	5.3
71.01382	35.1
72.99298	3.4
73.02945	13.4
81.07056	1.2
81.40891	0.9
83.01385	2.3
85.02956	9.2
87.00861	4.0
89.02444	53.5
95.01390	3.1
96.34103	1.0
97.02968	1.0
99.00812	2.3
99.04514	4.7
101.02439	19.1
103.04012	5.8
105.01927	1.8
113.02459	10.8
116.92843	2.3
119.03506	13.5
128.90147	3.8
129.01952	1.4
131.03485	3.6
143.03462	1.6
149.04559	73.1
150.04898	1.2
161.04524	3.5
161.13348	13.5
166.58539	1.1
179.05618	7.1
185.00882	3.9
187.11305	1.4
201.47189	0.9
205.12331	27.7
229.32697	1.0
249.11337	29.7
285.04044	1.2
370.31146	0.9
375.27380	2.0
381.15463	3.5
385.18570	1.8
401.21643	1.2
429.17661	17.1
430.18088	1.4
431.09555	1.5
443.19016	1.3
489.71115	0.9
517.16852	1.1
561.21820	100.0
561.28601	4.2
562.22162	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	561.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56548	1.5
52.79816	1.4
57.03456	1.7
57.74032	1.6
58.00576	2.6
59.01379	81.5
61.98816	5.0
64.48911	1.2
69.03450	3.9
71.01384	46.5
72.99292	2.9
73.02950	10.0
81.07066	1.5
83.01367	2.2
85.02943	10.2
87.00859	3.5
89.02443	82.9
95.01385	3.2
96.33576	1.4
97.02973	2.2
99.00875	2.4
99.04514	5.4
101.02443	25.6
103.04009	7.6
113.02451	21.0
119.03506	25.7
131.03468	5.6
141.02005	2.4
143.03459	5.3
149.04559	94.9
161.04521	4.4
161.13380	15.5
179.05598	14.0
185.00938	2.6
187.11263	4.7
205.12318	50.9
206.12570	2.6
233.71690	1.4
249.11307	46.1
250.11528	2.4
375.27420	3.1
381.15463	5.9
385.18619	4.1
429.17654	48.9
430.18030	3.9
561.21790	100.0
561.28772	5.1
562.22052	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	561.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	1.1
58.00580	1.3
59.01379	48.3
61.98826	1.2
67.95795	0.8
69.03440	2.2
69.21780	7.9
71.01382	28.2
72.99305	3.3
73.02548	1.1
73.02943	9.1
75.00887	0.7
83.01399	1.0
83.04987	0.8
85.02957	4.5
87.00866	3.4
88.98802	3.4
89.02446	54.9
95.01368	2.7
96.96016	1.9
99.00864	1.3
99.04517	2.6
100.64731	0.7
101.02437	16.2
103.04018	5.3
105.01942	4.6
111.24029	0.8
113.02442	8.8
119.03500	11.4
125.02453	1.2
131.03510	6.2
143.03490	2.4
149.04558	100.0
150.04904	1.6
159.68056	0.7
161.04526	3.6
161.13347	15.9
179.05618	7.5
187.11343	0.9
191.05597	1.5
205.12331	31.7
206.12596	1.3
239.15898	0.8
249.11296	18.4
250.11787	1.1
258.30777	0.8
309.07825	0.8
335.81741	0.9
381.15427	3.5
385.18671	2.0
399.16202	0.9
428.93762	0.7
429.17581	17.7
430.17953	1.2
473.14514	1.6
479.83588	1.0
561.21851	58.5
562.22046	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	2.8
57.03430	1.6
58.00591	2.2
59.01381	81.4
61.98829	8.9
69.03449	4.2
69.70651	8.6
71.01380	50.1
72.99302	5.6
73.02954	12.3
75.00878	2.7
83.01379	3.5
85.02956	12.5
87.00868	9.2
88.98809	4.9
89.02443	76.3
93.03457	7.9
94.01332	1.5
95.01396	4.7
96.08489	1.3
96.96006	4.8
96.99312	1.6
97.02939	1.5
99.00881	2.7
99.04524	4.4
101.02446	30.1
103.03998	2.8
104.37897	1.4
105.01945	16.8
108.02185	1.3
113.02458	15.8
114.07204	1.6
119.03537	21.2
119.05023	33.6
119.88548	1.4
125.02402	3.7
126.87239	1.3
130.04251	2.5
131.03506	13.2
131.04999	2.0
132.05833	1.9
134.03741	2.4
135.02965	2.4
143.03499	4.6
143.05023	3.0
144.88808	1.4
147.04521	6.7
149.04561	100.0
149.67075	1.5
150.04782	1.4
151.07574	1.7
161.04547	6.5
161.13351	23.1
163.04015	15.6
163.05275	2.0
165.05458	1.5
179.05574	11.8
185.00912	2.1
187.11272	2.2
195.08142	18.5
196.08437	1.7
205.12328	45.4
206.12694	2.5
207.08041	1.4
219.08188	3.4
221.09732	23.5
222.10258	2.5
223.11343	13.6
237.09225	4.8
248.08487	2.3
249.09131	9.3
249.11356	26.9
250.11716	2.2
267.10300	1.6
284.00647	1.5
293.07990	1.9
311.09299	5.1
381.15607	3.6
385.18726	4.0
429.17584	27.5
429.22964	1.7
443.15002	2.7
473.14502	94.6
474.14899	9.9
474.20901	1.5
478.03384	1.3
561.22009	50.0
561.29034	4.3
562.22369	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	561.1669
Annotation	Unknow
Peak:m/z	Relative Intensity
55.41804	2.2
58.17244	2.2
59.01380	83.6
69.46417	12.5
69.46822	5.5
71.01382	8.5
71.05019	2.6
83.30259	2.2
87.00882	7.3
96.96012	12.2
98.20618	4.5
103.00342	4.6
115.04019	9.5
126.90901	2.1
129.01892	3.3
133.05077	100.0
134.05394	3.1
134.96935	2.2
136.48027	2.4
156.35239	2.3
175.06123	37.9
203.92014	2.5
206.92796	2.4
219.05122	5.2
255.11990	2.5
269.84085	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	561.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59368	1.4
55.01871	2.3
57.03445	2.5
58.00577	2.4
59.01377	100.0
61.98827	6.7
62.57796	1.4
65.81815	1.2
69.03457	5.5
69.22889	5.4
69.23309	8.2
71.01381	52.1
72.99303	4.8
73.02947	21.9
75.00883	1.9
83.01391	6.1
85.02956	14.9
87.00875	2.9
88.98798	2.3
89.02444	50.0
90.00734	1.6
95.01399	3.2
96.96017	3.0
99.00860	3.4
99.04504	4.6
101.02438	35.1
102.98603	3.9
105.01955	2.4
108.02223	1.6
111.04499	1.6
113.02450	25.8
119.03505	21.2
119.70630	1.4
125.02366	1.6
131.03485	12.3
136.01653	5.7
143.03543	5.3
145.03003	1.3
149.04555	49.9
151.04025	6.0
161.04536	8.3
161.13300	10.0
179.05617	8.3
185.00951	3.8
187.11295	2.6
191.07101	2.0
203.07228	1.7
205.12337	29.4
249.11319	31.8
279.97015	1.7
309.07736	2.6
309.11163	2.9
339.12469	4.6
357.13477	5.4
381.15598	9.3
401.21655	1.8
429.17599	27.4
430.17828	3.0
561.21796	39.1
561.29193	11.9
562.22089	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	558.2814
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	1.3
61.98819	1.4
78.95909	9.1
96.82405	1.0
100.50048	0.9
119.52519	0.8
131.21390	1.1
140.01160	1.9
152.99590	1.3
196.03783	2.9
214.04881	2.6
279.23276	100.0
280.23587	9.4
301.13400	1.0
353.78137	1.0
370.53787	1.0
389.90549	1.1
476.27805	28.0
477.28049	2.5
558.27698	1.4
565.49060	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.2398
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22371	0.7
59.01367	1.7
61.98830	74.9
70.67028	2.2
78.95905	14.0
84.27102	0.7
122.60472	0.6
140.01227	3.8
152.99571	2.3
168.40901	0.7
196.03754	1.7
214.04819	2.3
266.54678	0.8
277.21707	100.0
278.22058	6.4
280.99988	0.8
298.90121	0.7
332.02103	0.7
362.19403	4.6
412.43610	0.9
474.26257	31.9
475.26407	2.6
559.23871	19.1
560.24451	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3121
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37171	1.4
59.01379	15.5
61.98834	5.0
71.01395	2.5
71.55489	2.0
78.95928	2.3
88.97555	1.5
89.02432	2.6
101.02474	2.3
179.05632	2.1
202.12698	1.8
235.08240	2.1
253.09290	14.4
263.20132	100.0
264.20438	4.9
344.90335	1.5
413.55466	1.6
440.07739	1.7
478.64127	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3119
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	19.3
60.71049	1.1
61.98830	14.0
70.44913	3.3
70.45286	2.1
71.01379	4.0
78.95905	20.0
89.02430	2.8
101.02422	3.3
105.07592	1.0
113.02422	2.1
119.03461	1.2
140.01227	1.4
152.99553	3.5
161.04555	2.0
171.00577	2.9
196.03830	1.1
234.24228	1.0
235.08237	2.0
253.09283	14.4
263.20148	100.0
264.20511	6.3
277.21680	8.0
278.22073	1.3
474.26254	16.7
475.26544	3.1
559.24146	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	557.2732
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26748	0.6
57.36219	0.7
57.42615	0.7
60.74187	0.6
61.98831	100.0
69.26625	0.6
70.03163	3.0
77.92760	0.6
78.95903	35.8
84.14228	0.7
94.14806	0.6
96.96969	9.2
125.20479	0.7
139.06010	0.7
152.99588	39.1
162.45412	0.7
219.68549	0.7
233.98514	0.7
241.01184	18.8
241.21727	43.9
242.22107	2.0
255.23302	1.7
256.23709	0.7
315.04785	6.9
377.20819	2.4
380.34897	0.6
480.30585	1.0
557.27258	64.4
558.27625	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	557.3206
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19343	0.1
51.09356	0.1
58.00556	0.1
58.21108	0.1
59.01374	0.2
61.98829	100.0
62.98521	0.2
68.36430	0.1
68.67670	0.1
69.30685	0.8
78.95921	0.6
82.09717	0.1
86.98165	0.1
98.19924	0.2
146.97217	0.1
152.99611	0.3
153.15950	0.1
255.23305	1.6
256.23599	0.6
257.23978	0.3
258.24255	0.2
272.85880	0.1
480.31018	0.8
481.31348	0.1
482.31796	0.1
483.32037	0.4
557.32349	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	557.1795
Annotation	Unknow
Peak:m/z	Relative Intensity
55.71778	7.3
59.01384	100.0
59.39065	7.4
61.98827	77.9
69.03450	19.0
69.40239	72.9
71.01385	37.7
73.02956	11.3
83.01398	7.9
85.02950	15.5
85.59966	7.9
87.00873	9.0
89.02431	54.4
96.90983	8.6
96.96039	13.7
98.19858	8.8
101.02433	16.5
102.57036	8.7
105.01952	9.3
113.02471	14.5
119.03490	20.7
119.05022	10.5
128.90399	8.8
135.03000	9.1
150.62065	10.2
159.03023	9.3
175.96666	9.0
177.23041	8.8
179.05536	12.7
182.93965	9.1
283.09787	12.6
311.09256	36.8
326.11621	18.8
341.13876	36.5
442.23764	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	554.3461
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13356	0.2
59.01379	21.3
61.98833	0.5
66.85517	0.2
70.98791	0.5
70.99156	0.3
78.13943	0.2
78.95904	18.8
90.63016	0.2
96.96933	0.3
104.97456	0.3
122.98514	0.4
152.99579	2.9
168.04297	2.7
224.06921	8.2
242.07964	1.6
255.23282	100.0
256.23618	6.7
332.18918	0.2
480.30927	58.0
481.31183	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	554.3464
Annotation	Unknow
Peak:m/z	Relative Intensity
55.57256	0.5
59.01379	15.2
61.98835	4.1
66.41414	0.3
71.54857	0.5
78.95909	5.6
79.17886	0.4
80.96511	1.2
98.59637	0.4
110.61613	0.4
129.36284	0.3
152.99625	0.6
160.09422	0.4
168.04341	1.0
224.06892	0.6
242.07994	2.3
255.23299	100.0
256.23615	5.7
279.23340	1.1
312.83838	0.4
470.87836	0.4
480.30957	26.6
481.31134	2.9
554.26910	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	554.3697
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03294	0.5
53.82757	0.5
57.04127	0.5
61.98832	100.0
71.24368	1.0
79.22557	0.6
80.19304	0.5
80.29692	0.5
99.15966	0.5
101.56296	0.6
230.18552	0.6
392.80823	0.6
450.88123	0.7
459.38733	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08529	1.0
50.29744	1.2
50.93801	1.0
53.59137	1.1
57.03447	1.5
59.01381	24.8
61.98830	5.3
64.20809	1.1
69.23315	10.9
71.01374	6.6
72.99316	2.7
73.02961	2.8
75.00867	10.4
78.12383	1.1
83.01418	1.2
87.00862	1.7
89.02423	3.9
101.02442	3.0
106.00597	1.1
113.02463	2.2
117.01930	1.4
121.02982	5.7
122.03740	5.8
123.00889	5.2
123.04549	2.4
135.03009	14.5
135.04521	4.0
137.02463	1.9
149.02425	17.3
150.03224	45.8
151.00362	28.8
151.04015	9.6
164.04796	13.3
165.01883	2.1
165.04152	2.4
165.05565	56.8
166.02713	65.5
166.05754	2.6
166.99931	2.7
167.03075	2.1
177.04099	1.6
179.07114	9.8
180.04330	5.5
181.05060	100.0
182.02211	8.0
182.05415	3.6
195.06610	30.0
196.06979	1.7
197.04544	17.8
201.17180	1.4
208.03729	2.1
223.06123	5.0
239.05574	2.8
241.07188	1.5
266.92279	1.2
314.08136	1.4
329.10303	3.1
389.12204	3.2
393.12030	6.2
407.26392	2.5
419.13235	1.7
437.14493	67.8
437.23856	2.2
438.14987	6.5
469.79688	1.2
517.16376	1.3
555.16663	10.5
555.34985	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	554.3017
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02266	0.3
54.79859	0.3
57.41906	0.3
59.01375	0.8
61.98827	1.5
70.40916	1.1
75.53481	0.3
78.95907	22.3
81.16449	0.5
152.99614	2.5
156.81976	0.4
158.50655	0.4
168.04306	3.8
215.38438	0.4
221.54208	0.4
224.06950	8.4
242.07942	2.2
255.20834	0.4
258.98697	0.4
261.22421	0.5
279.23282	100.0
280.23605	7.0
391.20386	0.4
504.30966	70.4
505.31253	6.4
554.27411	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3016
Annotation	Unknow
Peak:m/z	Relative Intensity
57.83210	0.2
59.01368	0.4
61.98825	0.6
65.55408	0.2
69.35685	2.2
78.95901	6.2
80.25587	0.2
124.76212	0.2
132.32303	0.2
152.99606	0.8
168.04269	1.6
175.16599	0.2
224.06931	1.0
242.07974	2.7
261.22275	0.8
279.23276	100.0
280.23599	5.6
331.24783	0.3
504.30972	27.6
505.31226	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	554.2141
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68713	1.2
57.03444	1.6
57.87410	1.2
59.01374	20.9
61.98534	1.9
61.98830	26.7
69.03423	1.3
70.93127	1.6
70.93447	2.0
71.01369	10.5
72.99313	2.0
73.02943	3.8
75.00893	1.2
78.95929	1.2
83.01413	1.9
85.02937	3.4
87.00826	1.5
88.98817	3.9
89.02444	6.8
94.06599	4.0
95.80415	1.1
96.96007	18.6
99.04476	1.4
99.92583	5.5
101.02438	5.9
107.03767	10.5
113.02457	4.1
115.92040	4.3
116.92091	1.8
116.92867	23.1
117.02036	1.0
119.03481	2.2
122.06121	47.6
123.06416	1.6
124.07686	1.3
132.04546	2.9
135.02953	2.8
139.02718	3.0
151.85037	1.2
152.07167	100.0
153.07498	2.6
157.25336	1.1
168.37646	1.2
183.49289	1.1
185.00795	1.6
190.05086	2.1
191.05727	1.1
198.85605	1.3
205.83652	1.1
213.10356	3.9
222.07884	1.9
225.06659	1.7
237.06653	2.0
237.10327	19.0
238.07091	2.4
238.09023	1.8
251.04520	1.9
251.08199	4.4
253.09802	6.6
254.10370	1.5
263.08124	1.3
264.05820	1.3
265.06189	7.5
265.09808	3.4
266.06958	11.2
267.07312	1.7
278.06863	3.4
279.07590	1.8
280.08395	4.8
281.09305	55.9
282.09543	3.3
293.09354	24.2
294.09842	3.4
313.11902	10.9
325.11844	1.5
341.11258	1.4
355.13132	2.5
392.27200	1.6
402.18262	9.2
418.17514	2.8
435.26120	1.8
436.26260	5.8
446.17188	42.0
447.17172	4.6
451.10052	1.6
478.19781	60.5
479.20056	8.7
490.16183	17.5
491.16205	1.4
494.26883	1.9
510.22314	12.1
511.22620	1.8
522.18799	59.3
523.19208	8.9
553.32135	8.0
554.21332	15.0
554.32092	21.1
555.11554	3.5
555.21265	1.9
555.30798	1.5
584.49731	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2866
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39402	0.5
55.01923	1.1
57.03526	2.5
59.00950	0.8
59.01139	1.4
59.01457	14.6
61.98566	0.7
61.98912	7.3
69.03506	1.0
69.05925	0.6
71.01056	1.2
71.01475	12.4
72.99397	1.4
73.03037	3.8
75.00977	2.3
76.76147	0.5
80.72156	0.6
83.01496	2.5
85.03058	4.2
86.00160	0.6
87.00945	1.1
88.55839	0.6
88.98891	1.1
89.02558	3.7
95.01515	0.9
96.76550	0.5
96.96121	5.2
97.03017	1.1
98.19829	1.3
99.00993	1.8
99.08233	1.1
101.02457	7.9
103.43455	0.5
107.03852	0.6
111.00986	1.6
113.02460	3.8
119.03575	0.7
122.06242	1.5
124.01777	0.9
125.02595	1.5
127.11281	3.0
128.77882	0.5
135.03134	2.5
140.66106	0.5
143.10825	1.3
147.04579	0.7
152.07303	1.7
161.04599	0.7
165.05719	0.6
185.01074	1.0
213.18681	0.9
233.46283	0.6
255.19711	1.6
273.20709	26.7
274.21036	1.3
281.09464	1.0
290.21558	0.5
293.09677	0.8
315.21887	0.7
333.75476	0.6
349.18622	1.4
391.19647	4.3
405.21487	0.8
417.24704	5.3
435.25977	100.0
436.26288	8.7
446.17227	2.0
478.19785	0.7
493.26532	3.7
509.22369	1.0
511.27560	2.8
522.18811	1.7
553.28619	50.5
554.28918	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	553.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60073	0.4
55.01939	0.9
57.03279	0.6
57.03539	1.4
59.01144	2.8
59.01477	14.2
61.52297	0.4
61.98577	1.2
61.98930	6.5
68.33592	0.5
69.03529	1.1
69.51399	3.5
69.70660	0.4
71.01064	2.0
71.01498	12.2
72.99062	0.5
72.99434	1.6
73.03065	4.7
75.00993	3.0
83.01515	2.0
85.02528	0.8
85.03084	5.2
87.01013	2.5
88.98930	0.5
89.01991	1.0
89.02583	3.4
95.00988	0.5
95.01528	1.3
96.96162	2.9
97.03060	0.8
98.20631	0.6
99.01031	1.7
99.07690	0.5
99.08296	1.5
101.01864	0.7
101.02581	7.5
111.01042	1.6
113.02465	3.8
116.92948	0.8
117.02058	0.7
119.03670	1.6
122.06213	1.1
124.01730	0.6
125.02599	1.4
127.11295	3.2
127.52682	0.4
135.03008	2.4
141.02034	0.6
143.03636	0.7
143.10893	0.8
147.04665	0.7
150.87015	0.5
152.04558	0.4
152.07355	1.8
161.04689	0.7
169.12518	1.6
178.63675	0.5
187.13527	0.8
201.11348	0.8
213.18704	0.9
219.15863	0.4
255.19832	1.5
273.20712	27.1
274.21213	1.2
281.09363	1.7
293.09525	1.2
315.21927	0.5
349.18689	2.3
373.25574	0.6
391.19687	8.3
392.27579	0.6
393.27780	0.6
417.24869	5.1
435.25967	100.0
436.26282	8.2
446.17099	1.8
478.19821	0.8
490.16150	0.7
493.26413	5.2
509.22156	2.4
511.27594	3.8
522.18536	1.7
553.28595	49.9
554.28967	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	553.3027
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01721	0.6
61.98825	4.0
62.39534	0.3
66.83175	0.3
69.03477	0.6
71.01382	7.2
72.87460	0.4
72.99323	0.9
73.02955	2.4
75.00875	0.9
75.99370	0.4
83.01403	0.8
85.02952	2.0
87.00884	0.8
87.73803	0.4
88.14154	0.4
89.02447	8.6
90.02741	0.4
93.03506	0.4
96.96014	0.8
97.02896	0.4
98.19872	0.8
101.02436	5.0
107.63106	0.4
113.02448	3.2
119.03503	3.5
131.03561	0.6
143.03566	0.9
149.04613	0.7
161.04532	0.7
178.88022	0.4
179.05667	1.3
185.00938	0.5
229.52730	0.5
255.19516	0.8
256.30371	0.4
273.20792	1.8
277.76077	0.3
391.19873	2.9
417.24890	0.7
435.26025	9.9
435.31430	0.6
436.26465	0.8
442.48648	0.5
493.26910	1.5
509.22507	1.5
511.27756	0.8
553.28467	5.2
554.29315	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.3027
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01721	0.6
61.98825	4.0
62.39534	0.3
66.83175	0.3
69.03477	0.6
71.01382	7.2
72.87460	0.4
72.99323	0.9
73.02955	2.4
75.00875	0.9
75.99370	0.4
83.01403	0.8
85.02952	2.0
87.00884	0.8
87.73803	0.4
88.14154	0.4
89.02447	8.6
90.02741	0.4
93.03506	0.4
96.96014	0.8
97.02896	0.4
98.19872	0.8
101.02436	5.0
107.63106	0.4
113.02448	3.2
119.03503	3.5
131.03561	0.6
143.03566	0.9
149.04613	0.7
161.04532	0.7
178.88022	0.4
179.05667	1.3
185.00938	0.5
229.52730	0.5
255.19516	0.8
256.30371	0.4
273.20792	1.8
277.76077	0.3
391.19873	2.9
417.24890	0.7
435.26025	9.9
435.31430	0.6
436.26465	0.8
442.48648	0.5
493.26910	1.5
509.22507	1.5
511.27756	0.8
553.28467	5.2
554.29315	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.1929
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01143	0.7
59.01381	7.0
61.98833	4.2
69.03474	0.9
69.20635	5.7
71.01382	5.4
71.13492	0.5
72.99302	1.5
73.02952	2.4
75.00859	1.2
80.96523	0.7
83.01391	1.1
85.02947	2.1
87.00863	2.0
88.98798	0.9
89.02465	4.5
95.01437	0.8
98.20661	1.3
98.99608	0.6
99.00877	0.7
99.04523	0.8
101.02444	3.8
102.98596	1.1
104.98185	0.6
108.02209	1.3
111.00893	0.8
113.02462	1.9
119.03510	1.4
121.02922	1.4
123.00880	1.5
124.01628	1.5
125.02447	1.0
131.03432	0.8
134.03732	1.6
135.03003	1.0
136.01660	31.5
137.02402	1.0
139.03957	1.7
143.01729	0.6
145.88702	0.5
149.02451	7.4
149.06059	1.2
150.03267	2.8
151.04012	32.3
161.02463	0.8
161.04536	1.3
164.04800	7.4
165.04314	0.6
165.05540	4.0
167.03479	0.9
172.05325	0.7
172.20189	0.8
178.02661	1.3
179.02922	0.7
179.05611	0.8
179.07091	7.5
193.05058	3.3
194.05397	2.4
195.06638	2.0
199.03903	2.8
200.04779	3.1
210.03185	1.3
211.04036	1.1
227.03523	4.2
228.04199	6.4
239.03438	1.4
240.04094	0.8
243.06622	2.9
255.03006	0.9
256.03830	9.3
270.05243	1.9
271.06107	55.5
272.06470	2.9
285.07568	4.6
286.08459	37.1
287.08975	3.7
300.09949	1.7
301.10800	100.0
302.11148	6.4
317.10211	1.1
340.24686	0.7
349.12933	14.6
350.13123	1.1
361.12958	0.9
391.13708	1.6
436.40491	0.7
493.23151	1.7
505.17368	1.9
553.19342	0.8
553.28516	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.3028
Annotation	Unknow
Peak:m/z	Relative Intensity
55.27135	0.9
59.01373	2.6
61.98831	100.0
62.05423	0.8
65.13637	0.9
66.91273	0.9
71.01388	1.5
78.95869	1.1
79.95733	1.8
80.96517	14.3
85.02905	1.0
86.35594	1.0
88.87280	0.8
89.73879	1.0
94.98077	3.4
122.97620	1.3
173.84770	1.1
203.06491	1.0
225.00732	3.8
253.21603	1.1
461.16306	1.2
470.33740	1.8
552.34003	1.1
553.26868	19.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.3313
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41019	1.1
55.71177	1.2
57.98746	1.4
59.01382	17.1
60.55599	1.2
61.98838	12.6
62.32636	1.2
66.13069	1.3
71.54981	1.4
78.95906	12.6
83.56831	1.2
106.93879	1.2
146.25320	1.4
146.96696	1.5
152.99599	3.3
168.04338	2.3
224.06923	3.6
228.57158	1.4
242.07869	3.2
253.21710	100.0
254.22089	4.7
277.21680	24.9
278.22003	1.9
292.87460	1.2
317.98871	1.4
327.56430	1.5
360.96332	1.3
478.29337	24.7
479.29633	3.1
502.29370	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	553.0835
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81372	2.0
55.01875	3.0
57.03444	3.5
59.01380	47.2
60.99311	17.0
61.98832	6.1
69.03443	4.6
69.34684	16.0
71.01382	33.1
72.99314	3.9
73.02944	23.5
75.00871	5.4
76.28927	1.9
83.01389	5.0
85.02950	13.4
87.00867	5.9
88.98806	91.4
89.02451	21.0
91.51038	2.1
93.03486	3.4
97.02956	1.9
98.19877	3.9
99.00878	4.2
101.02438	18.6
102.98624	2.5
109.02951	2.1
113.02471	11.1
115.00383	3.1
119.03495	6.5
119.05030	6.0
121.02980	2.6
122.03750	3.7
123.04537	2.3
133.02965	3.9
135.03026	4.2
136.99199	2.2
146.46965	2.2
149.02425	8.4
150.03227	16.6
151.00389	10.5
159.03000	2.9
161.04552	6.0
163.03946	3.1
165.04321	2.7
165.05565	13.3
178.99863	4.2
195.06647	2.5
201.11282	3.1
225.05646	4.3
227.03488	3.5
240.07726	2.0
243.02994	5.5
253.08635	5.6
254.09549	3.0
255.03056	16.6
258.45596	2.0
264.35321	2.2
267.10266	6.0
269.11893	2.2
271.02435	31.3
272.03024	2.7
300.02753	67.2
301.03491	36.2
317.19519	4.0
317.23196	2.5
348.58945	2.4
363.08655	2.1
375.20078	2.8
391.23236	7.9
405.25204	3.2
407.26047	2.4
408.26440	2.7
417.17276	11.7
435.22122	5.9
463.08810	100.0
464.09219	11.5
493.22867	2.7
552.31653	3.9
553.17554	14.7
553.29852	41.8
554.28937	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	552.2038
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60051	1.1
53.13648	1.3
59.01370	2.4
61.98829	32.7
62.96413	2.9
66.59464	1.1
69.22581	1.1
69.22952	11.6
78.95905	100.0
80.96513	4.3
92.94517	1.3
96.96963	4.8
99.92585	16.6
114.94926	8.5
115.92080	14.2
116.92843	5.5
122.00090	1.3
140.01163	3.1
141.96016	13.1
150.98024	2.6
152.99590	51.8
163.89723	1.8
171.00632	1.6
172.92426	1.3
178.88367	8.2
179.89230	17.4
180.90016	7.0
181.90712	2.4
192.00673	2.7
194.02260	1.7
194.88010	1.5
196.03857	1.3
196.89490	35.3
204.92203	2.0
205.93141	5.1
216.47935	1.3
218.91394	1.6
222.93365	3.8
235.91771	5.4
236.92592	3.7
255.23302	39.1
255.96100	1.3
277.95245	2.0
339.47543	1.4
409.23557	5.7
450.26050	2.9
452.27838	14.2
475.15439	5.4
491.15027	1.8
492.15622	7.9
509.15820	2.5
516.18250	14.4
517.18518	1.6
534.19489	7.8
552.20325	34.0
553.20349	4.6
553.27142	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	552.2863
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	1.4
61.98837	0.8
62.69420	0.3
64.88978	0.4
68.69298	0.4
69.35449	2.3
69.35863	0.6
69.36026	0.3
71.01380	0.4
74.21570	0.4
78.95907	6.4
98.19865	0.7
103.83995	0.3
104.59748	0.3
143.97949	0.4
152.99622	1.4
168.04355	2.1
224.06956	1.3
233.22864	0.5
242.08025	2.8
259.20511	0.5
275.20193	0.5
277.21713	100.0
278.22089	6.3
278.24997	0.7
423.31540	0.4
502.29410	31.9
503.29794	2.7
578.68256	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.286
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98194	0.4
59.01376	2.4
61.00343	0.4
61.98832	2.5
62.45476	0.4
69.35931	3.6
69.65975	0.4
73.49638	0.4
74.59853	0.4
78.95901	30.3
94.32596	0.4
96.96000	0.6
96.96983	0.6
100.70665	0.4
122.98570	0.5
152.99590	3.7
168.04294	4.8
224.04863	0.9
224.06918	11.5
233.22758	0.7
242.07999	2.3
243.28528	0.5
253.21747	4.5
259.20685	0.6
277.21701	100.0
278.22052	6.4
413.40930	0.5
478.29480	1.0
502.29376	72.9
503.29648	6.5
523.83307	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.0994
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	2.3
59.01111	2.0
59.01382	25.4
61.98834	48.8
69.03428	1.2
69.30479	9.6
71.01388	12.7
72.01707	1.1
72.99304	2.9
73.02956	6.3
83.01389	3.5
83.87909	1.1
85.02946	4.6
87.00851	2.3
89.02440	5.2
96.96028	2.5
99.00942	1.6
101.02464	7.5
107.01354	3.1
109.02946	2.0
113.02437	3.5
119.04994	1.4
121.02972	3.2
125.02465	1.4
141.45836	1.3
143.42230	1.1
149.02452	3.2
151.00375	10.9
163.00284	2.4
178.99901	6.2
179.07048	1.4
193.01378	2.2
208.03764	4.1
209.04074	1.9
211.04169	1.4
217.14383	1.4
223.06075	12.7
224.06348	4.9
227.03395	2.2
243.03006	6.7
245.04543	1.3
254.02042	2.8
255.02965	17.7
271.02481	40.7
272.03006	3.0
283.02542	1.6
300.02753	73.4
301.03494	35.9
301.20248	3.9
302.03677	1.4
302.20682	1.7
308.38040	1.5
329.23285	7.1
330.23767	2.5
371.24194	2.2
379.19757	2.9
389.25504	6.3
390.26053	2.1
403.84894	1.3
433.24268	1.4
435.25836	1.8
449.23779	4.1
465.26862	2.8
466.27246	1.6
489.10394	100.0
490.10431	7.9
507.28293	5.9
508.28284	6.0
536.04742	1.3
551.30890	14.9
552.31409	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	551.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67528	2.3
57.03449	2.5
59.01382	89.1
61.98830	34.6
65.58725	2.3
69.22717	21.3
71.01382	42.6
72.99304	3.9
73.02956	12.6
75.00891	6.6
78.25615	3.2
83.01409	9.0
84.99593	2.5
85.02948	16.0
87.00913	3.8
89.02441	19.2
95.01395	3.8
96.96014	3.6
97.02950	3.0
99.00870	3.2
101.02444	27.5
101.02985	2.3
108.29423	2.6
113.02441	15.4
119.03503	5.9
128.62949	2.6
143.03540	2.2
161.04625	7.1
169.12387	3.8
179.05693	3.3
187.13486	3.6
227.16649	10.8
271.19281	3.3
301.20230	19.4
319.45807	2.5
329.23560	3.3
349.18637	19.8
371.24496	6.8
389.25745	8.2
433.24176	22.9
447.25867	19.0
447.43311	3.3
465.26944	35.7
466.27637	4.3
491.28488	3.6
497.01639	2.4
507.28070	83.2
508.28949	4.6
551.31024	100.0
552.31317	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	551.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	6.5
56.70533	0.7
57.03447	4.5
58.00589	3.1
59.01380	69.4
60.01700	1.3
61.98834	8.6
67.00421	0.7
68.99834	0.8
69.03459	2.5
71.01381	83.0
71.55203	1.5
72.01718	0.8
72.99300	4.4
73.02946	23.9
74.99086	1.6
75.00867	2.6
80.90486	0.7
81.03453	1.0
83.01390	12.3
84.02178	1.1
84.49959	0.7
85.02949	34.4
85.03468	1.7
87.00883	6.2
88.98779	1.0
89.02444	38.2
93.03488	1.7
95.01395	7.1
97.02939	2.4
99.00884	8.4
101.02441	70.1
102.02782	1.0
102.98584	1.0
104.04973	0.8
109.02864	0.9
111.00876	1.8
113.02451	32.9
114.02744	1.0
117.97357	0.8
119.03501	16.0
119.04874	1.0
120.99717	0.9
121.02972	6.2
122.03733	3.8
123.04547	0.8
125.02425	1.9
129.01941	2.2
131.03513	1.7
132.02223	1.0
133.02928	2.5
134.03748	45.0
135.03020	1.8
135.03975	1.1
135.98337	1.4
136.01678	0.9
136.99138	1.9
137.02460	8.0
139.04031	2.6
143.03528	4.7
147.04520	0.9
148.04001	1.2
149.02429	10.6
149.04680	1.8
149.06070	11.7
150.03227	31.1
151.03893	3.1
151.28223	0.8
157.51126	0.7
159.02991	5.3
160.01724	0.9
161.04558	30.4
163.03932	0.9
164.04778	2.1
165.05565	33.6
166.05873	0.9
175.03986	1.6
178.02707	26.4
179.03046	1.3
179.05591	7.8
180.04257	3.3
181.05078	1.4
192.03029	2.4
193.05054	100.0
194.05466	4.3
195.06624	25.0
196.06845	0.9
207.13780	1.0
223.09676	0.9
224.05751	1.0
227.16620	2.2
235.06093	1.2
267.06436	0.9
282.08887	4.7
341.10303	15.4
342.10638	1.8
371.20096	1.9
389.12378	17.4
389.21747	32.5
390.12625	2.0
390.22043	1.5
433.20706	6.1
486.62122	1.0
551.27130	97.6
552.19446	1.0
552.27350	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	551.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.4
57.03436	1.3
58.00590	1.6
59.01381	31.0
60.68274	0.9
61.98832	6.5
69.03439	2.4
69.65723	3.6
69.66145	1.4
71.01380	28.3
72.99304	2.5
73.02940	7.0
74.99092	0.8
77.13648	0.7
80.88671	0.7
83.01386	3.2
85.02954	9.8
87.00867	2.4
88.44518	0.8
89.01923	1.4
89.02447	16.8
93.03438	2.2
95.01374	2.9
99.00868	2.0
101.02436	17.3
111.00876	1.2
113.02468	10.5
119.03485	6.5
119.04954	0.9
121.02958	9.8
122.03720	3.9
133.02931	2.3
134.03743	47.1
135.03038	1.1
135.04486	1.2
136.01634	1.4
136.99170	0.9
137.02467	6.5
139.04024	2.2
143.03517	1.6
149.02441	12.8
149.06090	13.3
150.03233	34.2
151.03915	2.6
159.02986	1.4
160.01865	1.4
161.04578	7.0
164.04776	2.8
165.04266	1.3
165.05563	36.7
175.04021	1.4
178.02721	28.2
179.03146	1.1
179.05602	2.8
180.04288	2.5
193.05051	100.0
194.05380	3.5
195.06625	25.2
196.06953	1.1
235.06052	0.9
239.07233	1.3
250.06445	1.7
282.08948	4.7
341.10272	23.8
342.10583	1.7
359.11261	1.1
364.15039	0.8
389.12292	18.3
389.21375	7.2
390.12701	1.3
421.89944	0.9
433.20865	2.8
504.19888	0.9
551.19403	2.9
551.27130	50.0
552.27710	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	551.1773
Annotation	Prinsepiol 4-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
55.01879	0.8
55.15624	0.8
59.01380	15.4
61.98810	3.4
69.03459	1.3
69.40302	3.5
69.40717	2.9
71.01376	9.6
71.35062	0.8
72.99304	1.2
73.02938	1.5
73.37214	0.8
74.51903	0.8
75.00868	1.9
85.02943	2.3
87.00898	2.3
88.98799	1.3
89.02441	8.5
91.17786	0.7
93.03453	2.8
95.01408	1.4
96.95999	1.7
101.02432	5.8
102.98597	1.5
105.03432	0.9
111.00888	1.4
113.02467	5.7
117.03426	1.0
119.03481	2.3
119.05000	1.9
121.02942	3.8
122.03747	7.3
123.00844	0.9
123.04532	6.7
133.02943	2.4
134.03741	77.6
135.02989	3.9
135.04134	3.0
136.01646	3.5
136.99123	1.3
137.02448	9.0
139.00368	1.2
139.03983	3.2
147.04509	2.7
149.02415	10.5
149.06084	17.6
150.03224	52.7
151.04016	22.3
153.05479	1.1
157.06596	1.3
160.01639	2.6
161.04541	2.2
162.03192	1.7
163.03894	0.9
164.04768	2.0
165.05562	51.0
166.05943	1.4
175.03978	3.1
176.04816	2.9
177.01903	1.6
177.05618	0.9
178.02707	35.2
179.03148	1.4
179.05708	1.2
179.10780	3.3
180.04272	3.5
181.05072	17.2
191.07159	3.0
191.78285	0.8
192.04317	2.6
193.05048	100.0
194.05428	5.1
195.06621	22.7
207.06621	1.5
220.47519	0.8
223.09706	2.9
235.06088	12.4
239.05569	1.0
244.86107	0.9
263.05515	3.3
282.09003	1.5
313.03427	2.1
314.04169	0.9
317.10565	1.4
325.03708	1.0
341.10315	3.5
375.67795	0.8
383.11343	1.1
387.91629	0.8
389.12418	60.9
390.12720	4.3
431.13397	2.6
433.20670	2.1
551.10016	5.6
551.18091	27.0
551.27142	2.0
552.18439	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	550.3233
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	2.3
57.03447	4.1
58.00583	3.1
59.01382	92.0
60.01719	1.3
61.98821	3.6
69.03448	1.7
69.71089	1.3
69.71505	4.0
71.01383	37.0
72.01716	1.1
72.99314	5.0
73.02948	16.6
75.00883	2.1
81.03490	0.9
83.01382	6.8
85.02960	16.7
86.00098	1.2
86.03264	1.2
87.00886	4.9
89.02446	20.2
90.02782	1.4
95.01380	4.1
97.02964	1.8
97.06616	1.0
99.00888	3.5
99.04538	2.0
100.04924	1.1
100.07682	2.7
101.01786	1.9
101.02444	30.2
102.02780	1.8
103.00389	1.2
111.00876	2.9
113.02457	20.9
119.03500	7.0
120.03912	1.0
124.01723	0.9
125.02450	1.8
129.01917	1.0
131.03413	1.0
135.02989	3.9
141.85800	0.8
143.03474	2.6
146.08231	3.5
159.03040	1.9
160.72063	0.8
161.04572	5.9
171.10303	0.8
179.05559	1.5
201.11446	2.1
207.13885	2.4
208.14314	2.6
209.15468	1.1
221.79959	0.9
223.06110	2.0
245.76669	0.9
249.11311	1.1
250.11754	1.1
251.12865	5.9
252.13268	9.5
253.14510	1.0
285.20746	5.1
300.02747	1.2
312.25653	0.9
314.23422	1.2
314.27008	1.1
316.42136	0.9
318.36560	0.9
328.25034	4.3
342.26389	7.5
346.25964	6.3
371.24597	1.6
388.26974	1.6
389.25421	1.9
391.26913	1.9
417.24988	2.4
431.18790	2.0
432.19333	8.2
433.19778	1.3
447.09445	0.9
472.28876	1.4
490.30231	57.8
491.30756	5.1
494.40338	0.9
508.31244	14.1
509.31863	1.2
533.29688	1.2
550.22467	14.5
550.32312	100.0
550.96808	0.9
551.22882	2.2
551.30975	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	549.3281
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52234	0.7
57.98563	0.8
59.01114	0.9
59.01383	16.2
61.98830	4.1
62.82953	0.8
71.01382	2.7
71.50854	1.1
73.02918	1.2
85.02955	1.1
89.02426	1.7
91.00208	0.9
101.02457	3.3
113.33530	1.0
119.03490	0.9
121.02943	1.2
122.71056	0.8
152.99498	1.4
162.27368	0.9
213.48415	0.8
235.08246	1.4
253.09299	13.5
253.21721	100.0
254.22136	4.6
284.18033	0.8
399.18893	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.1415
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	2.0
61.50192	0.2
61.98830	100.0
62.98531	0.2
63.33444	0.2
66.33243	0.2
66.95839	0.2
69.03490	0.2
69.42527	0.9
69.42961	0.6
71.01382	1.6
73.02952	0.5
83.01385	0.3
85.02955	0.3
89.02444	1.0
96.96011	0.3
99.00884	0.2
101.02457	0.9
113.02464	0.6
119.03550	0.2
125.02443	0.2
134.03770	0.3
137.02403	0.2
139.04063	0.2
147.87386	0.2
149.02402	0.2
150.03217	0.3
161.04584	0.4
163.04036	0.2
165.05577	0.6
178.02681	0.9
193.05086	1.4
223.06151	0.3
244.27246	0.3
284.54013	0.2
331.12399	0.2
353.08594	0.2
478.32376	0.2
510.61075	0.2
550.17603	0.2
551.27350	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98014	1.3
56.19702	1.3
59.01377	20.6
60.01716	2.5
60.71046	1.4
61.98828	100.0
64.64163	1.2
71.10190	3.5
132.71159	1.6
150.52959	1.4
251.20203	3.4
306.06543	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.1929
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.4
59.01379	7.6
61.75982	0.4
61.98827	25.1
69.25988	2.7
69.26390	0.9
70.26997	0.4
71.01385	3.5
72.99332	0.6
73.02950	1.8
78.03508	0.9
85.02942	1.0
87.00871	0.9
89.02450	0.8
99.00860	0.5
101.02431	2.0
102.02714	0.4
103.68240	0.4
113.02443	1.2
115.00378	1.4
118.55825	0.5
119.03467	0.4
122.02482	21.4
123.02820	0.7
131.08682	2.1
154.67830	0.4
159.06737	0.4
159.08125	1.5
163.07672	0.5
165.05525	0.5
175.02565	1.8
175.07605	0.8
175.11290	0.6
176.04791	0.6
176.08395	0.6
177.05479	0.7
179.07094	0.4
185.06058	1.4
186.06845	0.7
189.05582	0.9
191.07127	1.3
191.10785	10.4
201.09187	3.3
203.07133	15.7
204.07872	5.0
205.08235	0.5
213.05551	0.7
214.06308	1.4
217.08688	1.8
218.09457	3.1
219.10240	30.0
220.10577	1.3
229.08688	11.3
230.09148	0.7
231.06613	11.1
232.07370	3.1
245.08177	2.1
246.05280	0.5
246.08963	34.7
247.09732	100.0
248.10057	4.7
255.06715	0.7
256.06696	0.8
265.10938	0.5
369.12204	3.3
370.12888	18.4
371.13177	1.5
409.15085	9.7
410.14993	0.6
418.24896	0.4
448.26831	0.4
463.53629	0.4
532.18225	60.0
533.18555	5.8
549.29718	1.2
550.19623	2.4
550.29028	2.5
551.30920	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.3281
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	12.2
59.93040	1.2
61.98833	7.4
71.01390	2.4
71.55188	2.1
89.02439	2.1
91.10698	1.2
97.35362	1.3
101.02430	2.5
113.32419	1.2
121.02958	3.2
125.58568	1.3
133.25627	1.1
135.98772	1.3
165.01965	2.9
165.44182	1.2
235.08180	2.0
253.09317	13.4
253.21721	100.0
254.21982	4.1
421.20889	1.2
426.41434	1.6
506.47092	1.2
545.91577	1.4
548.23480	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2477
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
61.98833	63.9
71.01376	25.9
71.55283	12.0
73.02946	9.9
74.07012	9.0
79.31567	9.2
89.02457	17.4
93.72589	8.8
101.02425	20.3
108.23841	9.4
113.02428	12.2
127.77441	9.1
149.04341	10.4
164.85852	8.3
165.70697	8.3
210.82709	9.9
218.38867	10.3
299.96274	11.7
372.05795	11.9
549.24719	42.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2574
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37835	2.2
55.01893	3.4
57.03448	4.8
58.00599	2.5
58.99623	2.2
59.01381	100.0
61.98831	19.3
68.50268	2.0
69.03448	4.8
70.11269	7.3
71.01387	46.7
72.99324	10.0
73.02952	18.0
74.99122	2.3
75.00865	13.0
83.01392	6.7
84.57169	2.2
85.02950	23.8
87.00879	7.9
87.04507	7.3
89.02444	24.9
95.01400	2.7
97.02971	1.9
99.00897	5.1
99.04521	2.8
101.02446	34.7
102.98611	4.1
107.05028	2.7
113.02434	17.1
115.00348	3.3
115.07661	2.9
119.03471	10.3
120.99673	4.9
121.02946	7.8
122.03766	4.1
123.08147	2.3
125.02457	3.0
134.03745	32.7
135.03006	25.1
135.04526	2.5
136.03349	4.9
137.02449	5.2
137.03465	4.9
149.02464	12.0
149.04727	2.3
149.06105	6.4
150.03224	28.6
152.07211	2.1
153.09193	13.5
159.03040	5.3
161.04546	10.8
161.13388	3.1
162.69472	2.6
164.04691	3.1
165.05554	32.2
175.02522	2.4
177.06033	1.9
178.02695	13.3
179.05652	4.5
180.04282	3.2
185.00848	2.2
193.05064	58.6
193.12373	2.2
195.06599	19.2
205.12489	2.6
207.10217	4.1
221.09691	2.2
242.01964	2.3
282.09055	4.3
285.17056	28.2
341.10312	16.6
387.20279	6.7
389.12241	5.0
429.21368	21.0
431.18378	3.9
447.22449	39.4
489.23492	74.9
490.23834	6.3
549.19995	6.6
549.28815	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	549.2192
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07449	1.4
58.00587	2.2
59.01381	66.2
61.94006	1.6
61.98814	7.3
69.23181	15.3
71.01385	27.8
72.99295	5.3
73.02937	2.9
75.00874	28.1
80.63622	1.6
83.01395	2.3
85.02940	4.9
87.00873	2.0
88.98783	2.4
89.02444	29.1
95.01334	2.1
98.19907	3.0
99.04519	24.3
101.02445	12.2
113.02470	11.2
117.01968	3.1
119.03497	8.0
121.06592	2.0
135.02997	97.1
136.03374	2.4
141.20186	1.6
152.16188	1.6
189.12804	8.2
205.12383	2.4
207.13892	28.0
251.12872	90.4
252.13153	4.4
269.14081	2.5
340.50720	1.9
344.82095	2.1
349.54779	1.6
369.15479	5.9
369.22717	5.3
431.19083	64.4
432.19479	6.5
468.64243	1.7
549.21741	100.0
549.29333	16.6
550.22205	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	549.2193
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22083	1.7
55.54620	1.7
57.03436	1.8
59.01382	65.0
61.98817	6.7
69.03439	1.9
69.80438	3.2
69.80827	5.0
71.01383	28.3
72.99301	6.1
73.02939	6.6
75.00467	2.8
75.00871	32.5
83.01376	3.0
85.02940	8.9
87.00864	3.7
89.02446	26.7
95.01423	2.2
96.63481	1.6
99.04526	31.3
101.02438	13.2
113.02440	10.6
117.01927	3.5
117.80090	1.9
119.03484	7.2
135.03003	100.0
136.03337	3.6
143.03474	2.6
179.05502	2.1
189.12862	9.4
207.13892	28.8
208.14178	2.4
233.11940	2.3
251.12895	78.4
252.13147	5.0
297.23782	1.7
305.10770	1.8
369.15497	5.9
369.22891	5.3
389.25488	2.4
431.19125	67.0
432.19522	6.5
494.85956	1.9
549.21796	84.2
549.29401	15.7
550.21454	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	549.126
Annotation	Scutellarein 7-xylosyl-(1->2)-xyloside
Peak:m/z	Relative Intensity
59.01378	11.4
61.98826	0.9
63.02379	0.7
65.00331	0.6
69.58397	1.1
69.58825	1.4
71.01381	4.9
72.01707	0.4
72.99286	1.1
73.02932	1.7
75.00859	4.0
83.01359	1.0
85.02934	1.3
87.00861	0.5
87.04484	0.4
88.98811	0.8
89.02439	4.5
90.02749	0.6
93.03429	1.0
95.01343	0.6
99.04500	1.2
101.02453	2.8
107.01350	1.2
109.02943	0.7
113.02426	2.0
114.02809	0.5
115.00347	0.5
119.03491	1.4
121.02940	0.4
123.04523	0.6
132.02141	0.9
134.03731	2.7
135.00940	1.8
135.01976	0.7
135.02985	8.5
136.03307	1.6
137.02425	0.7
137.03394	1.5
149.02367	0.6
149.04495	0.4
149.06117	0.7
150.03201	2.5
151.00404	2.3
151.03964	1.2
157.06558	0.8
159.04430	0.9
161.13321	0.9
163.00362	1.6
164.01161	0.6
165.05524	1.3
171.04515	0.6
173.06256	0.4
178.02682	1.0
178.99805	0.9
179.05583	1.1
181.05009	1.0
183.04477	0.9
185.06053	1.2
187.03976	1.5
193.05028	4.2
195.06538	0.7
197.06070	0.8
199.03961	0.7
205.12369	1.2
206.12642	1.1
207.13896	0.8
211.03940	2.9
213.05560	1.2
225.11261	0.8
227.03476	35.8
228.03944	1.8
229.05040	6.3
239.03452	1.8
241.04980	0.9
249.11267	1.4
250.11621	0.8
251.13010	2.3
255.02971	70.1
256.03497	7.6
257.04523	3.7
258.05054	0.7
267.02838	0.7
283.02454	0.8
284.03244	100.0
285.03970	43.5
286.04358	3.0
341.10330	1.4
351.59415	0.4
389.12335	2.0
399.07138	1.2
430.18039	0.6
431.18524	2.7
505.22653	0.6
548.20868	0.4
549.12537	78.1
549.20935	5.7
549.29639	4.2
550.12817	8.8
550.20331	0.3
550.29510	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.1257
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	4.0
61.98829	100.0
69.22366	0.6
69.22765	3.0
70.31536	0.4
71.01380	0.8
73.02961	1.3
83.01402	0.4
98.20748	0.7
101.02448	1.0
159.08154	0.3
290.78488	0.3
445.89157	0.4
501.89514	0.4
548.25055	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.1258
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	0.7
61.98830	100.0
68.72324	0.3
71.95514	0.4
74.18179	0.4
76.98557	0.4
82.09029	0.3
98.19887	0.9
115.48798	0.3
158.17715	0.3
170.46327	0.3
173.69347	0.3
176.08582	0.3
213.10280	0.4
255.23625	0.3
273.62540	0.3
274.18823	0.3
322.14377	0.3
434.56686	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.1259
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	4.1
60.01716	0.2
60.36598	0.2
61.98828	100.0
69.32420	2.0
71.01364	1.7
73.02956	0.5
75.00874	0.9
85.02953	0.5
85.89644	0.2
89.02439	1.6
97.02951	0.3
100.79292	0.3
101.02440	0.8
113.02486	0.6
119.03509	0.4
135.03008	2.3
136.03333	0.3
144.06741	0.3
155.45653	0.2
161.13402	0.3
178.16270	0.3
179.05693	0.2
205.12291	0.4
206.12709	0.4
218.73166	0.3
226.15910	0.3
233.91606	0.2
249.11224	0.3
250.11661	0.5
251.12888	0.3
389.25388	0.4
430.22302	0.4
548.21210	1.0
548.30603	0.8
549.29639	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.2715
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24165	1.7
59.01382	51.1
61.98832	88.1
67.54522	1.6
69.03461	2.3
70.67715	3.1
70.68049	4.1
71.01372	11.3
72.99303	1.9
73.02934	4.3
74.02474	76.5
83.01389	4.2
85.02935	4.1
87.00861	3.6
89.02438	4.4
90.02755	2.2
101.02425	8.0
102.10677	1.5
105.01917	7.2
111.00875	2.5
113.02483	4.1
115.92393	1.8
130.20142	2.1
194.12830	1.8
205.71292	1.9
263.00308	2.0
296.26813	2.3
299.14386	4.1
300.14804	10.8
343.13205	3.4
344.13715	10.2
444.25845	5.5
462.26819	6.6
504.28156	100.0
505.28180	11.6
548.29028	3.2
576.78577	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	549.1039
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95558	0.1
59.01384	1.1
61.98822	0.6
65.40752	0.2
66.25218	0.2
70.96270	0.5
77.03965	1.5
93.03432	0.3
116.98138	0.2
121.02956	100.0
122.03289	2.3
137.02438	0.4
147.04466	0.4
165.01929	53.6
166.02260	1.4
180.05864	0.3
181.06601	2.6
197.06082	2.5
207.04468	0.8
207.08128	0.3
223.04037	0.3
225.05565	1.5
257.09705	0.7
293.96432	0.2
313.07199	1.5
357.06171	1.0
373.10602	0.2
383.07727	0.4
417.09729	2.1
505.11362	1.8
549.10376	25.5
550.10626	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	549.1266
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	4.9
58.99595	1.1
59.01383	30.3
61.98824	3.5
63.81991	1.1
66.53001	1.0
67.01871	1.2
67.18803	0.9
69.03456	100.0
70.03797	2.4
71.01385	15.4
72.87249	1.0
72.99311	3.3
73.02944	3.8
74.91148	0.9
74.99089	1.1
75.00873	1.9
79.01891	4.2
83.01389	2.2
85.02960	7.5
87.00883	2.3
89.02452	11.2
93.03410	1.2
95.01401	4.2
95.04997	1.0
96.95972	1.3
97.02948	21.4
99.00886	23.9
101.02444	10.6
102.98615	5.7
108.02174	3.4
111.07355	0.8
111.21597	0.9
112.51163	0.9
113.02455	6.1
119.03485	4.7
120.54652	1.0
120.72038	0.9
120.99636	1.4
121.02944	4.1
122.03747	2.0
125.02435	1.3
134.03720	15.8
135.02994	3.5
136.99197	1.0
137.02455	1.6
137.15556	1.1
139.04059	1.1
141.01947	11.6
143.03484	1.4
149.02422	7.1
149.06097	4.6
150.03235	14.1
150.41595	1.0
152.01161	1.5
159.03052	1.5
160.01704	1.9
161.04591	1.4
163.07597	1.9
164.04820	1.0
165.05566	18.0
167.03508	2.9
175.03981	1.4
178.02740	6.9
179.05612	2.2
181.05034	1.0
185.00911	73.8
186.01245	1.0
189.12845	0.9
193.05057	32.1
195.06625	14.0
282.08966	2.7
298.14246	1.7
299.14771	4.4
300.15149	3.8
301.15652	2.3
318.93246	1.0
341.10303	9.9
363.10907	1.2
374.00101	1.0
387.06726	1.1
387.20160	2.7
389.12262	2.4
398.62665	1.0
429.21738	1.7
431.19116	3.6
465.86603	1.1
503.21155	1.4
504.21655	5.5
505.21890	16.3
549.12878	3.0
549.26062	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	547.255
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.8
59.01379	100.0
60.01728	0.7
61.98832	14.3
68.69570	0.4
69.03440	0.6
71.01383	8.6
72.99315	1.3
73.02964	2.4
75.00891	0.6
83.01406	1.1
85.02942	3.5
87.00902	1.3
89.02443	6.0
91.25989	0.5
93.70772	0.4
95.01398	0.6
99.00896	0.7
99.67478	0.5
101.02435	6.2
105.01945	4.7
110.16510	0.5
111.00837	0.7
113.02449	5.4
115.92146	0.5
119.03506	2.8
119.05058	0.6
131.03528	0.6
135.03009	0.6
143.03537	1.1
147.04536	1.1
149.04562	0.5
159.02768	0.4
161.04556	2.4
179.05649	0.9
189.03754	0.4
197.09625	0.9
223.11374	0.8
284.11920	2.3
295.09760	1.3
299.14395	13.1
300.14774	1.3
327.17596	1.3
343.13290	12.2
344.13715	1.2
365.10062	0.5
371.16476	0.6
385.22244	0.6
415.15610	0.8
441.13467	0.5
459.14603	1.8
487.23523	1.0
488.40210	0.5
505.24377	0.8
547.27667	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.2759
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13477	1.2
52.89321	1.2
53.34053	1.3
55.01865	1.9
55.50701	1.1
57.03445	3.5
59.01382	100.0
61.98529	2.0
61.98830	27.7
69.03477	1.6
70.83099	1.1
71.01007	3.0
71.01384	46.8
71.01776	2.6
72.01712	1.7
72.99299	5.3
73.02956	13.2
75.00869	2.8
83.01406	7.9
85.02948	18.3
87.00857	3.8
89.02456	25.5
95.01437	1.5
97.02963	3.2
99.00871	5.5
101.02447	35.4
103.64236	1.2
103.68273	1.5
111.00874	5.5
113.02439	13.8
115.03992	1.4
119.03506	2.1
119.04982	2.0
125.02451	3.6
131.03510	12.3
135.03020	2.2
143.03487	3.4
147.04526	2.8
149.04549	5.9
159.03076	1.9
161.04556	8.2
179.49399	1.5
192.77110	1.4
223.02417	1.3
229.48509	1.3
233.06641	2.5
251.01923	1.5
295.09756	4.3
327.17453	2.0
355.21265	24.3
356.21500	2.1
415.15198	1.5
459.14407	4.4
469.45920	1.5
487.25497	96.0
488.25742	8.4
547.30432	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	547.203
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00593	0.9
59.01381	27.9
61.72492	0.7
69.53667	3.5
71.01385	11.3
71.32577	0.6
72.99316	5.1
73.02991	0.7
75.00873	42.8
85.02950	2.4
87.00880	1.1
89.02447	16.2
90.13726	0.6
95.01394	0.7
98.13022	0.7
98.20565	1.1
99.04558	1.7
101.02425	4.7
103.19234	0.6
113.02492	3.0
117.01967	2.5
119.03521	5.3
134.36594	0.5
135.03004	100.0
136.03358	1.1
143.03578	1.0
151.63724	0.6
161.04594	1.0
161.13339	3.7
178.87962	0.5
179.05649	3.6
205.12328	9.2
214.23145	0.6
249.11293	5.2
261.01306	0.6
367.13995	1.4
385.18552	1.3
429.17651	4.8
547.20288	30.9
548.20605	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	547.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42071	1.4
58.00583	3.2
59.01378	82.2
69.03456	3.8
71.01381	42.2
72.27989	1.9
72.99299	5.7
73.02943	2.7
75.00463	3.1
75.00867	39.3
83.01401	3.3
85.02962	9.4
87.00874	2.0
89.01932	3.2
89.02447	55.4
95.01390	1.8
99.04527	6.5
100.67024	1.5
101.02449	22.7
102.54285	1.8
107.04905	1.6
111.25819	1.8
113.02454	15.2
117.01961	3.1
119.03499	19.2
131.03531	2.0
135.02997	100.0
143.03505	4.8
149.04584	2.0
160.90294	1.7
161.04530	3.6
161.13367	24.6
179.05611	13.3
185.00914	2.6
187.11183	3.0
205.12326	45.1
249.11319	72.1
250.11623	5.5
367.13947	6.3
429.17603	60.9
430.17908	4.9
454.44382	1.7
547.20319	57.5
548.20892	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	547.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03398	1.1
58.00589	1.8
59.01381	47.4
66.56104	1.1
71.01383	21.9
72.99296	4.2
75.00877	39.6
83.01390	1.1
85.02953	4.9
87.00869	1.8
89.02442	31.6
89.78700	1.1
92.89995	1.1
95.01381	1.5
98.19917	2.1
99.04510	3.6
101.02451	12.2
113.02447	8.9
117.01955	4.0
119.03510	12.0
123.21595	1.1
135.03000	100.0
136.03310	1.9
153.23128	1.0
161.04514	1.4
161.13387	10.5
179.05579	4.3
187.11154	1.3
187.48964	1.1
205.12349	22.2
206.12585	1.8
225.97255	1.0
249.11316	28.6
301.51547	1.1
350.98425	1.0
365.02795	1.0
367.13971	5.9
429.17657	10.9
441.03366	1.2
459.86667	1.1
480.51913	1.2
547.20300	75.7
548.20587	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	547.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00586	2.6
59.01380	52.2
61.98838	1.2
67.30150	1.2
69.41885	9.5
69.42247	1.3
71.01000	2.1
71.01380	26.2
72.99306	5.7
75.00466	2.4
75.00874	38.4
85.02949	5.3
87.00871	1.8
89.02449	38.2
89.03002	1.8
95.01378	1.6
99.04524	4.2
101.02440	10.8
111.04498	1.6
113.02449	9.1
117.01929	3.1
119.03503	13.0
131.03535	1.8
135.03001	100.0
136.03304	1.7
143.03508	3.3
149.04475	1.4
161.04593	2.4
161.13370	8.7
179.05600	8.0
187.11176	2.1
205.12321	26.8
249.11333	29.0
250.11745	1.4
333.68155	1.4
367.13995	9.5
429.17657	26.4
430.18304	1.9
547.20386	66.8
548.20526	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	547.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
60.01721	0.6
61.98827	0.8
69.27323	0.4
69.27636	3.0
78.37736	0.4
79.69543	0.3
121.02946	0.5
122.24876	0.3
430.08347	0.3
549.38275	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
57.61548	1.7
59.01381	35.9
63.12193	1.8
67.31574	1.8
69.36110	15.3
71.01376	11.3
73.02940	10.8
75.00877	5.3
79.58511	1.9
85.02941	3.3
87.00938	2.1
89.02460	6.3
93.07393	2.2
95.05027	1.9
95.06222	1.9
99.04490	2.3
100.00380	1.9
101.02452	9.3
113.02457	5.5
114.11543	1.9
119.03472	2.6
123.04517	5.1
135.02991	7.7
136.18591	2.1
148.05299	3.3
149.06078	6.9
159.10385	2.0
161.04556	2.9
163.07637	13.9
165.66624	2.1
189.05556	4.5
207.06599	3.2
223.09729	2.4
232.97189	1.9
263.12973	1.9
280.15036	2.4
298.14166	20.1
299.14917	31.4
323.43079	2.0
346.50519	2.1
443.19244	3.9
461.20313	6.9
503.21375	100.0
504.21622	10.7
547.20209	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2968
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	23.0
61.98820	5.7
63.18800	1.9
71.01375	3.6
71.24422	4.2
85.02949	2.0
86.35648	1.7
89.02477	2.7
101.02462	2.5
125.02431	4.6
143.40927	1.8
161.04579	2.4
169.01299	2.2
225.01445	1.8
249.18593	100.0
250.18826	7.0
253.09302	13.9
301.97418	2.2
310.54538	1.9
333.20004	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1667
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24177	1.1
54.35508	1.0
58.59842	1.2
59.01111	1.9
59.01384	30.0
61.60378	1.2
61.98814	5.3
69.41862	5.0
69.42290	4.7
71.01375	8.6
73.02947	2.1
75.00898	1.6
78.95893	2.5
81.69032	1.2
83.01352	1.6
85.02947	4.5
87.00895	2.0
88.98821	7.2
89.02444	6.7
95.01381	1.3
96.96032	5.9
96.96955	4.9
98.95572	1.8
101.02428	4.7
111.00915	1.3
113.02464	5.4
116.92853	1.3
117.03462	11.8
119.03524	3.0
119.05021	30.2
120.05449	1.3
121.02959	1.9
121.77988	1.1
129.01874	1.3
133.06561	2.0
135.04532	1.6
145.02948	100.0
146.03276	3.4
149.02298	1.1
149.06000	1.2
161.04675	1.5
161.06053	5.1
163.04007	47.3
175.02429	1.5
177.05600	1.7
179.05711	1.7
187.03981	4.2
187.11205	1.2
193.05052	2.7
205.03658	1.1
205.05099	8.0
223.04480	2.9
227.55548	1.2
265.07150	3.1
325.09274	60.3
326.09622	4.1
429.14206	1.5
509.18756	2.0
531.97675	1.3
547.16907	1.8
560.27002	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1668
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	12.3
59.01643	1.0
59.12933	0.5
61.98833	4.8
67.37647	0.5
69.03468	0.7
70.93713	1.2
70.94086	1.3
71.01389	6.2
72.99323	1.1
73.02956	1.4
75.00900	1.1
83.01428	0.9
85.02995	1.7
87.00891	1.3
89.02444	6.1
96.95999	2.7
97.02929	0.6
99.04568	1.1
101.02463	3.6
108.70081	0.6
111.00881	0.9
113.02441	2.7
116.92883	2.0
117.01945	1.3
117.07137	1.0
119.03519	2.3
120.99676	0.9
121.02998	1.3
125.44672	0.5
127.89076	0.5
130.08737	0.8
133.02980	1.1
133.93726	0.6
134.03748	41.6
134.87607	0.7
135.03032	1.8
135.04037	0.7
137.01416	1.1
137.02434	8.7
139.04041	2.9
140.85744	0.5
143.03546	0.8
149.06090	16.0
150.03185	0.7
161.04543	1.2
172.09735	0.6
178.02710	30.4
179.03081	1.6
179.05611	2.0
193.05054	100.0
194.05356	4.0
296.21957	0.6
349.12866	1.0
382.75983	0.7
429.13983	13.8
430.14206	1.0
487.21136	0.7
503.21411	1.0
529.18585	1.5
547.16461	24.1
548.16583	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01105	0.7
59.01379	11.1
61.98828	56.7
65.03963	2.0
71.01383	4.4
71.55554	0.9
72.99292	1.1
73.02940	2.2
75.00863	1.2
83.01362	0.7
85.02943	1.4
87.00865	1.7
89.02434	3.8
89.37569	0.5
93.03446	0.5
96.95996	1.4
99.00860	0.7
99.04516	0.7
101.02433	3.0
105.01928	1.3
111.00895	0.7
113.02441	1.7
117.39491	0.5
119.03519	0.8
119.05020	0.8
125.02452	0.5
131.03630	0.4
135.02982	2.6
138.97060	0.5
145.06552	0.9
147.04535	6.1
149.04539	0.8
161.04599	0.6
181.07130	1.3
189.05565	0.8
195.08160	1.1
205.10245	4.0
207.11783	9.7
237.07741	0.6
251.10757	33.6
252.11046	3.1
295.09732	100.0
296.10080	6.2
341.15652	0.5
353.44193	0.5
385.22244	1.2
387.23898	3.8
417.72495	0.6
429.21414	0.8
459.16583	34.7
460.16534	2.7
487.25406	0.5
528.54480	0.5
547.18250	31.7
547.27490	5.9
548.18481	3.5
548.27362	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.1671
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46846	0.3
54.41212	0.3
57.03189	0.3
59.01379	0.6
61.98830	100.0
69.73560	0.3
71.27888	0.3
75.84706	0.3
76.68138	0.3
82.47023	0.3
85.02964	0.3
89.02534	0.3
96.96012	1.0
99.00883	0.4
174.81142	0.3
328.97983	0.3
337.85971	0.3
407.70044	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.3172
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34853	1.3
55.95151	1.5
59.01377	2.1
61.98828	3.4
69.73690	1.5
78.95905	21.5
79.76696	1.3
80.50562	1.5
140.44632	1.4
147.43274	1.5
152.99617	3.4
168.04286	2.9
224.06953	6.6
226.74002	1.4
257.46176	1.5
269.24844	100.0
270.25192	5.1
313.63663	1.4
494.32520	66.5
495.32748	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	545.1667
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48327	0.5
55.01878	0.9
58.00589	2.1
58.90837	0.4
59.01381	42.1
61.98832	3.7
69.61889	3.3
71.01382	23.1
71.01778	1.1
72.99300	4.5
73.02946	1.6
75.00865	1.6
83.01411	0.6
85.02952	4.1
87.00896	2.4
89.02446	31.1
95.01391	1.7
96.96033	0.9
99.00844	1.1
101.02448	11.2
105.01936	100.0
106.02312	1.0
113.02450	9.4
115.05515	0.6
119.03500	11.1
120.72771	0.4
125.02440	0.7
131.03531	1.9
143.03517	2.3
147.03064	1.1
147.04521	5.1
149.04562	1.1
161.04498	2.4
179.05611	11.5
205.10258	1.0
207.05095	0.6
233.09688	4.5
235.13425	0.8
251.10939	3.6
251.16530	0.7
274.52972	0.5
277.08691	2.0
295.09738	10.9
296.10126	1.1
383.11316	2.7
383.16125	0.6
385.22348	2.9
385.35358	0.6
457.15060	1.0
545.16809	1.5
545.26831	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	545.1673
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	0.8
58.00599	1.2
59.01379	39.7
60.01693	0.4
60.77141	0.4
61.98830	7.1
69.03444	0.3
69.18941	3.1
71.01382	27.1
71.05029	0.4
72.01702	0.3
72.99310	6.3
73.02940	1.9
75.00887	2.1
83.01392	1.2
85.02956	4.9
87.00876	2.4
89.02445	31.7
95.01398	1.4
96.96011	0.6
96.99290	0.5
97.02953	0.4
97.06608	0.3
99.00888	1.3
99.04529	0.4
101.02449	11.8
105.01937	100.0
106.02297	1.1
112.14894	0.3
113.02450	10.1
115.04030	0.4
115.05532	0.6
117.01964	0.4
119.03507	11.7
123.08141	0.3
125.02459	1.0
125.09724	0.3
131.03514	1.5
131.19055	0.3
143.03497	2.9
147.03017	0.9
147.04520	5.1
149.04567	1.2
161.04552	2.7
171.10477	0.4
175.11311	0.8
177.04138	0.6
179.05615	10.2
191.05653	0.4
191.08815	0.5
196.18134	0.3
202.60966	0.3
205.10292	0.8
207.11801	0.5
215.12901	0.9
219.08409	0.6
231.02943	0.3
233.09705	4.9
235.13411	2.6
241.14458	0.6
251.11053	6.6
251.16467	2.5
252.11372	0.4
265.14532	0.4
267.07333	1.6
277.08643	3.4
295.09772	12.6
296.10156	1.3
297.17221	0.4
305.55664	0.4
337.10703	0.5
347.99661	0.3
366.20169	0.3
383.11597	4.2
385.22302	9.7
386.22665	0.8
457.15509	1.8
545.16821	1.6
545.26843	4.5
546.26300	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.224
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51464	1.7
53.53276	1.7
55.46542	1.4
57.68347	1.7
59.01380	100.0
61.98824	4.1
69.42233	6.9
69.42667	6.0
71.01381	23.3
73.02947	36.0
79.48608	1.7
83.01392	8.2
83.04987	1.9
85.02943	2.7
89.02449	5.6
99.42234	1.7
101.02443	32.6
113.02467	7.1
118.36993	1.7
119.03516	2.6
125.02468	1.9
131.03508	2.8
132.10376	2.0
143.03470	3.9
147.08144	2.4
149.04588	2.2
161.04478	8.0
175.07661	6.1
221.06590	2.1
293.13983	5.8
350.80997	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.26
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81251	0.6
55.01865	1.3
57.03434	1.6
57.23003	0.5
58.00584	1.0
59.01379	28.2
61.98830	13.5
66.70913	0.6
69.03446	1.0
70.56529	1.7
71.01380	18.8
72.99308	3.3
73.02950	6.9
76.23367	0.6
83.01385	2.1
85.02951	5.2
87.00855	2.0
87.04517	0.9
88.98797	0.9
89.02443	12.2
95.01378	1.0
96.96019	2.8
96.99283	1.1
97.02942	1.2
99.00880	10.4
101.02448	10.6
105.01924	7.5
111.00878	0.6
113.02457	6.3
119.03490	3.3
125.02412	1.3
125.09644	0.6
131.03482	1.0
143.03488	1.7
147.04492	1.5
149.04535	0.9
159.03008	0.5
161.04507	2.0
167.50096	0.5
179.05565	1.4
191.05663	1.1
215.12872	0.8
216.46495	0.6
233.09666	3.6
233.15474	9.9
234.15697	0.7
235.13437	0.7
241.14345	0.9
251.10939	2.6
251.14632	0.5
251.16557	6.1
277.08618	1.2
295.09750	13.1
296.10095	1.6
337.10721	1.2
383.11349	2.0
385.22287	8.4
397.13165	0.9
413.21762	12.1
414.22134	1.5
443.29593	0.6
457.14841	0.6
545.25867	100.0
546.26318	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	542.2097
Annotation	Unknow
Peak:m/z	Relative Intensity
57.44054	0.2
59.01373	0.7
61.98830	100.0
71.01381	0.6
71.53912	0.3
75.00473	0.2
78.95911	0.5
85.02975	0.3
86.50127	0.2
87.00882	0.3
89.02443	0.5
96.96011	2.3
96.96967	0.8
181.05132	0.3
193.53001	0.2
317.09891	0.2
410.22852	0.2
436.83969	0.3
449.12128	0.3
467.13428	0.5
542.20642	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.209
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14824	0.2
59.01371	0.8
61.87897	0.3
61.98829	100.0
62.45018	0.2
69.92628	0.5
69.93021	0.6
71.01375	0.7
79.25528	0.3
89.02438	0.5
96.96009	0.9
96.96968	0.5
101.02431	0.3
165.05521	0.3
194.04591	0.3
249.11487	0.3
332.12189	0.5
467.13342	0.4
542.20770	0.8
543.21313	0.5
551.00726	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.1357
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24377	0.6
51.02406	0.5
51.65931	0.5
55.01875	4.8
59.01387	2.9
61.98837	3.8
62.13042	0.4
63.35770	0.5
63.76394	0.4
67.01904	1.5
69.03455	100.0
69.58793	3.2
70.03786	1.1
71.01375	2.2
72.99309	2.4
74.99108	1.4
75.00871	0.5
78.95913	0.6
79.01894	5.6
85.02957	2.1
95.01386	3.4
96.96030	2.6
96.96951	0.5
97.02951	17.5
98.20625	0.8
99.00883	27.8
101.02426	0.7
108.42040	0.5
111.00868	0.6
113.02449	1.1
121.02940	0.9
123.00903	1.9
123.04546	0.6
135.98341	0.6
136.99170	0.9
139.00296	0.5
141.01939	13.9
165.05589	0.5
185.00912	90.9
186.01241	2.0
195.06619	7.0
203.01862	0.7
215.07149	0.5
365.75150	0.5
543.13062	3.0
544.13379	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.1731
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	0.6
61.98828	2.8
71.01374	0.5
71.54117	0.3
72.99281	0.3
78.62424	0.2
78.95906	16.8
79.95735	2.9
81.73318	0.2
89.02457	0.4
96.96006	100.0
96.96954	30.7
108.67066	0.2
113.02452	0.3
130.33926	0.2
195.06667	0.4
204.19264	0.2
212.62309	0.2
233.12823	0.2
245.29741	0.2
323.24792	0.2
352.85504	0.2
499.18027	0.3
543.18164	0.3
544.17804	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.167
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.8
61.98830	100.0
62.98565	0.3
63.99255	1.0
71.01398	0.6
72.99303	0.4
77.74225	0.3
85.02962	0.7
87.00911	0.4
88.80370	0.3
89.02455	0.4
96.96022	2.0
96.96993	0.7
208.02934	0.4
348.04459	0.4
372.59695	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.2425
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
61.98832	42.5
69.03439	16.4
71.01379	73.7
72.99311	14.4
73.02939	19.5
75.00849	7.9
83.01382	10.9
85.02950	16.2
87.00870	18.8
88.98801	8.3
89.02444	87.1
99.00876	6.2
99.04536	4.9
101.02448	50.7
105.01920	8.7
111.00869	14.4
113.02449	20.0
115.04057	5.0
117.80359	4.6
119.03475	11.9
125.02449	9.7
129.01952	6.4
131.02638	4.5
131.03462	27.0
134.03761	5.0
143.03485	4.6
149.02510	22.5
149.04539	64.6
161.04520	5.0
163.04068	6.5
164.04797	26.0
179.07156	12.7
185.00887	7.4
188.91893	4.6
191.05586	12.0
208.03745	15.2
223.06160	33.0
251.07739	6.4
293.08783	7.2
309.84732	4.2
349.18616	10.3
423.16782	42.1
423.25827	15.7
424.17502	5.0
481.22852	72.8
541.22656	29.8
541.29773	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	541.2137
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	39.1
61.98827	33.9
71.01381	80.0
71.53139	8.7
72.99303	7.6
73.02940	16.3
78.95901	17.8
83.01404	8.7
85.02956	37.3
86.18800	5.2
87.00892	6.9
89.02430	17.8
95.01346	6.9
96.95990	20.6
96.96960	6.9
99.00867	11.3
101.02452	58.4
111.03340	5.3
113.02444	38.8
115.04034	40.7
116.37821	5.4
138.05615	25.3
153.86497	5.1
159.02971	6.4
161.04597	36.5
164.79578	4.7
200.46423	4.7
202.07741	5.1
233.10252	19.2
277.09280	100.0
301.66559	5.1
428.10413	5.7
503.15958	8.8
503.89636	4.9
505.17264	8.0
541.13367	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	541.2419
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.87284	5.0
61.98830	52.1
69.03456	18.1
71.01384	85.8
71.55373	6.1
72.99308	8.1
73.02947	20.4
73.90196	5.0
75.00836	7.5
83.01389	7.8
85.02956	21.3
85.04597	5.5
87.00879	23.2
88.98791	8.1
89.02449	74.7
94.27734	5.3
96.96022	7.4
99.00903	9.2
101.02442	51.5
105.01962	8.2
111.00866	13.4
113.02451	23.0
119.03506	13.0
119.04998	11.6
121.02937	9.6
122.08354	6.2
122.53797	5.4
125.02422	7.9
127.00406	5.0
128.03505	5.1
129.01967	6.6
131.03502	22.3
135.02965	8.8
149.02448	40.0
149.04506	46.4
157.01451	7.0
164.04790	47.1
165.05647	5.6
179.07159	24.3
185.00880	18.2
191.05562	14.3
208.03830	11.0
223.06078	41.0
293.08844	7.1
311.09445	6.5
349.18604	14.3
423.16617	68.3
423.25861	20.6
437.98932	6.8
481.22858	86.4
482.23193	7.5
536.18671	6.0
541.23267	53.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.1929
Annotation	Unknow
Peak:m/z	Relative Intensity
54.94923	6.0
57.03422	6.5
57.22103	6.8
59.01378	70.8
61.98836	100.0
69.03431	9.0
70.05311	18.3
70.05714	13.3
71.01386	47.2
72.99299	9.7
73.02941	8.5
74.99094	7.1
75.00874	19.9
85.02933	13.8
87.66006	6.6
88.98756	10.9
89.02445	60.8
93.59590	7.0
96.95972	9.9
96.96994	7.3
98.19904	8.2
101.02431	26.4
113.02506	10.9
113.42754	7.2
119.03492	19.7
124.01627	6.5
125.02443	12.6
130.90443	6.7
136.01631	19.1
151.03979	33.8
161.04605	6.6
165.05540	13.7
173.80807	6.4
179.05641	13.5
181.05180	8.7
185.00903	11.1
237.05580	16.5
242.10037	7.0
252.07637	12.4
253.04965	11.6
268.07336	19.7
283.09723	47.9
296.84418	6.5
364.73175	6.5
409.81940	7.0
467.72784	7.7
541.15338	19.5
541.28729	11.5
546.76990	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	541.1929
Annotation	Unknow
Peak:m/z	Relative Intensity
54.94923	6.0
57.03422	6.5
57.22103	6.8
59.01378	70.8
61.98836	100.0
69.03431	9.0
70.05311	18.3
70.05714	13.3
71.01386	47.2
72.99299	9.7
73.02941	8.5
74.99094	7.1
75.00874	19.9
85.02933	13.8
87.66006	6.6
88.98756	10.9
89.02445	60.8
93.59590	7.0
96.95972	9.9
96.96994	7.3
98.19904	8.2
101.02431	26.4
113.02506	10.9
113.42754	7.2
119.03492	19.7
124.01627	6.5
125.02443	12.6
130.90443	6.7
136.01631	19.1
151.03979	33.8
161.04605	6.6
165.05540	13.7
173.80807	6.4
179.05641	13.5
181.05180	8.7
185.00903	11.1
237.05580	16.5
242.10037	7.0
252.07637	12.4
253.04965	11.6
268.07336	19.7
283.09723	47.9
296.84418	6.5
364.73175	6.5
409.81940	7.0
467.72784	7.7
541.15338	19.5
541.28729	11.5
546.76990	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	540.1933
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35660	0.2
59.01377	0.9
59.24519	0.2
61.98830	100.0
64.22828	0.2
71.01392	1.2
71.54613	0.3
71.55017	0.3
72.99310	0.5
75.00874	0.3
78.95905	2.6
86.29204	0.2
86.55967	0.2
87.00896	0.4
88.37880	0.2
89.02446	1.1
92.96707	0.2
94.06212	0.2
96.96037	1.1
96.96989	0.7
101.02439	0.5
113.02457	0.6
117.01929	0.3
119.03501	0.2
121.02984	0.5
134.03784	0.4
134.04729	0.6
148.55609	0.2
151.04024	0.2
158.92575	0.8
173.09146	0.2
181.05159	0.3
195.84453	0.3
197.04619	0.3
235.89697	0.3
258.63361	0.2
272.95825	0.6
301.07117	0.3
313.18277	0.3
328.04782	0.5
331.12036	0.6
389.60095	0.3
480.21564	0.5
540.05560	1.0
540.18896	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2087
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84395	0.8
58.00566	0.9
59.01383	1.2
61.98830	19.9
71.01382	3.0
71.38011	1.8
72.00906	13.1
73.02966	0.9
76.13837	0.8
78.95901	8.9
87.00877	1.3
89.02473	1.4
96.96004	2.5
96.96948	1.6
101.02415	2.2
103.05508	1.3
106.33130	0.7
113.02432	1.2
119.05042	1.3
121.02946	1.9
127.31274	0.8
134.04733	1.8
138.05597	1.9
145.02916	1.3
147.04521	41.0
149.02452	10.6
150.03224	16.7
158.92500	2.4
159.78339	0.8
161.04541	1.9
162.03168	1.6
164.04825	5.8
164.07161	100.0
165.05565	42.6
165.07515	3.3
166.05882	1.3
175.43098	0.9
180.04414	1.7
181.05095	1.0
184.06105	1.2
195.06618	19.3
196.06898	1.0
272.95554	1.1
327.10818	13.3
363.16415	0.9
365.88358	0.8
504.71335	0.8
540.05182	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	540.3308
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12109	0.5
59.01382	18.8
59.27443	0.5
61.98818	1.8
68.23972	0.5
70.26126	0.4
77.06861	0.4
78.95908	16.7
79.95795	0.5
98.19852	0.9
122.98495	0.5
131.05505	0.4
152.99542	2.5
155.35086	0.5
168.04352	2.8
168.72963	0.5
182.38171	0.5
224.06931	7.6
228.74455	0.5
241.21724	100.0
242.08015	2.2
242.22081	4.5
263.89630	0.4
371.61163	0.4
437.10754	0.4
466.29373	55.5
467.29422	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	541.1461
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	63.7
61.98833	25.5
63.26540	5.4
69.03438	7.3
71.01379	19.6
71.55289	7.0
72.99312	8.6
73.02949	14.6
74.02479	11.5
75.00871	8.1
75.89946	6.2
78.92715	5.9
85.02975	9.9
87.00866	10.5
89.02465	9.4
96.96008	10.2
98.86080	5.9
99.00911	8.5
101.02436	10.9
113.02480	8.2
116.49272	5.5
119.05014	13.5
121.02924	6.2
139.74596	6.2
141.02087	6.0
147.04523	100.0
149.02469	25.4
152.01289	6.5
164.04796	31.4
165.05551	92.8
179.07098	23.9
193.25140	5.9
203.08206	13.0
207.06624	59.7
223.06035	28.9
232.06380	6.2
245.09256	28.1
335.74124	6.1
423.16727	52.7
423.26019	13.4
429.61902	7.0
481.23068	10.2
537.55402	6.9
541.18811	7.0
541.28741	15.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.1572
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72929	0.2
59.01377	1.3
61.98829	100.0
69.03468	0.3
69.29066	0.5
69.29471	1.7
71.01379	1.0
73.02950	0.6
75.00876	0.4
85.02969	0.5
89.02468	0.7
111.00880	1.3
114.04134	0.2
130.08727	0.5
135.03087	0.3
144.40761	0.2
149.02458	0.4
150.03227	0.6
151.04111	0.3
152.04388	0.2
165.05580	0.5
180.04196	0.3
195.06596	0.4
211.26646	0.2
218.88872	0.2
279.20801	0.3
408.13577	0.3
492.19922	0.3
540.27679	0.5
541.30518	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.1933
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	0.2
59.01357	1.1
60.99314	0.2
61.32586	0.2
61.98828	100.0
69.03439	0.2
69.40060	1.5
71.01389	0.6
72.99306	0.2
73.02940	0.4
75.00860	0.4
85.02951	0.2
87.00863	0.4
88.98802	0.2
89.02455	0.8
93.28450	0.2
93.37846	0.2
95.52499	0.2
96.96026	0.2
98.20616	0.3
101.02442	0.5
102.08618	0.2
109.00584	0.2
111.00868	2.3
112.01241	0.6
119.03466	0.2
122.11155	0.2
128.43845	0.2
134.03801	0.2
149.02409	0.4
150.03220	0.9
162.55029	0.2
165.05563	1.1
173.00873	0.2
180.04210	0.2
195.06610	0.9
217.54294	0.2
246.11827	0.2
328.08853	0.3
331.11987	0.6
379.33017	0.2
540.20160	0.6
540.27588	0.4
541.30835	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.2142
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03326	0.8
55.01862	1.1
57.03427	1.0
59.01382	56.5
60.09525	0.7
61.98833	100.0
69.03448	1.3
69.45515	1.5
69.45927	5.1
71.01014	1.0
71.01389	12.9
72.99307	2.8
73.02948	6.6
75.00868	3.7
82.62793	0.7
83.01373	2.3
85.02958	5.9
87.00877	1.4
87.04488	1.2
88.98768	1.5
89.02453	4.9
91.28123	0.8
91.32114	0.9
93.67426	0.8
95.01398	1.2
96.96011	1.7
97.02933	1.1
97.06647	1.1
99.00878	1.4
99.32353	0.9
101.02444	11.8
105.50327	0.8
111.00916	0.9
113.02406	3.8
117.01897	1.0
119.03493	1.6
119.05041	2.4
125.02390	1.2
135.02965	2.2
135.04472	1.9
149.02492	1.1
150.03131	1.2
161.04524	2.3
161.05943	0.9
163.03993	1.9
164.04683	1.1
165.05576	2.3
167.14220	0.8
171.10205	1.8
195.06610	1.5
201.11275	1.9
223.06041	1.6
224.06448	1.4
225.11267	1.6
229.14403	1.7
303.17902	1.4
327.09225	1.4
371.20551	3.8
377.28992	1.1
389.21783	8.6
406.25327	1.4
420.23349	1.7
421.24280	2.9
431.22946	6.7
478.23639	2.4
479.24814	1.4
494.19153	2.0
496.24472	1.0
538.29279	3.0
539.22760	1.3
539.33826	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	539.1384
Annotation	Unknow
Peak:m/z	Relative Intensity
54.75590	1.5
55.57526	1.2
58.00589	1.6
59.01379	31.1
60.48016	1.5
64.53759	1.4
66.47171	1.3
69.67384	7.6
69.67742	1.5
71.01380	24.4
72.99288	1.5
73.02936	2.6
75.00893	1.4
85.02954	3.8
87.00868	8.0
89.02448	45.4
92.08360	1.6
95.01402	1.9
98.19933	2.8
101.02448	22.4
104.57533	1.4
113.02458	15.2
119.03503	9.8
131.03493	3.5
143.03482	2.5
161.04565	9.5
179.05612	33.8
180.05969	1.5
221.06622	19.0
281.08624	2.3
323.09857	3.9
341.10800	5.3
365.88416	1.3
377.08560	14.8
378.08551	1.8
503.16183	100.0
504.16629	9.7
539.13898	40.0
540.14459	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	539.1383
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77298	1.8
55.01891	2.0
57.08912	1.6
59.01379	35.9
61.90194	1.6
68.99830	3.0
69.03453	1.8
70.24955	6.4
71.01381	44.6
72.99313	5.2
73.02942	5.9
75.00867	2.2
78.95902	26.4
83.01389	7.3
85.02965	10.8
87.00869	27.5
89.02446	46.2
95.01382	2.8
96.96011	30.8
96.97004	2.7
97.02954	4.2
99.00880	7.6
101.02446	31.3
111.00874	5.5
113.02454	22.5
119.03524	11.7
125.02455	2.7
127.00374	27.1
129.01988	10.9
131.03497	3.9
134.04703	7.4
141.01981	5.4
143.03531	4.8
154.99875	2.5
157.01476	12.2
158.92531	5.5
159.03001	2.0
161.04573	8.9
169.01433	7.7
175.02481	5.2
179.05605	38.0
181.01338	1.8
181.07188	36.3
182.07469	2.6
183.07741	2.0
199.02475	11.9
221.06650	16.7
227.12195	2.2
229.03513	15.9
272.95724	3.1
281.08948	3.1
287.04053	25.4
293.75397	2.2
319.06384	4.3
323.09781	3.5
328.04489	2.9
331.70270	2.0
341.10938	4.4
377.08545	12.9
408.00934	1.9
439.08057	2.0
503.16190	100.0
504.16574	11.2
539.13843	43.5
540.05048	5.0
540.13873	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	539.2345
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	12.2
61.98830	51.3
67.48142	1.2
71.01386	10.8
71.54824	1.7
72.99303	2.4
73.02935	6.3
75.00854	2.4
78.95887	5.0
79.20019	1.1
81.03394	1.3
83.01370	2.0
85.02951	8.0
87.00887	2.8
87.04517	2.5
88.98843	3.0
89.02438	7.5
89.49265	1.3
96.96004	5.6
96.96972	1.6
97.02966	1.8
99.00857	2.2
99.04517	2.5
101.02443	9.1
111.00884	1.5
113.02453	5.8
113.06088	5.5
115.04000	3.2
116.92874	2.4
119.03476	1.6
121.06596	3.0
123.04512	1.8
127.03973	4.1
129.62973	1.2
135.04590	1.9
137.02438	2.7
141.05637	1.9
143.03470	1.6
145.05048	1.7
149.06059	4.7
150.03133	2.9
151.04007	1.8
163.03944	1.5
165.05600	2.1
165.09111	1.6
167.07115	3.1
175.02449	1.6
181.05008	2.2
185.08089	1.8
195.91858	1.3
202.54721	1.6
203.10837	2.0
237.89857	1.3
253.14487	4.3
272.95731	1.4
281.13977	2.7
299.15094	10.0
300.15424	1.4
317.16028	63.3
318.16376	3.3
479.21301	100.0
480.21573	8.4
539.17487	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	538.2142
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	1.3
59.01381	41.0
60.01714	1.0
61.98830	100.0
69.40597	6.0
71.01384	9.8
72.99324	2.3
73.02955	6.2
73.73856	0.8
75.00880	1.7
83.01399	1.7
85.02953	4.2
87.00877	1.1
89.02448	4.8
90.02758	0.8
90.58980	0.7
95.01402	0.8
97.02940	0.9
99.00903	1.8
101.02442	7.8
111.00887	1.3
113.02476	3.4
118.03233	0.9
118.49940	0.7
119.03533	1.3
119.05047	1.0
119.06818	0.7
125.02422	1.0
126.03809	0.7
135.03056	1.0
135.04550	1.1
139.00426	0.8
150.03175	2.3
159.03035	0.8
161.04581	2.8
163.04013	1.3
165.05536	1.7
166.05856	1.0
195.06770	0.9
196.07034	1.6
201.11343	1.1
208.03813	0.8
223.06186	1.8
224.06429	2.3
227.16548	0.8
227.41595	0.8
230.62582	0.8
260.52594	0.8
305.97516	0.8
371.20621	4.5
372.11841	0.9
389.21744	12.7
389.25772	0.8
390.21912	0.9
391.26822	1.4
407.26547	1.3
421.24802	1.5
431.22800	8.3
488.43451	0.8
497.25891	1.0
538.30109	2.2
539.13409	0.9
539.30347	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.2143
Annotation	Unknow
Peak:m/z	Relative Intensity
57.90823	1.4
59.01381	58.1
61.98832	100.0
64.41351	1.3
69.22437	3.7
69.22850	10.9
71.01381	6.5
73.02946	3.5
78.07869	1.4
79.82083	1.6
85.02937	2.9
89.02454	5.6
98.19937	3.4
101.02454	2.2
113.02450	3.1
119.05036	5.0
129.01892	1.3
134.03758	2.4
135.04094	1.7
139.50240	1.4
150.03259	6.0
151.03947	2.1
155.10771	1.9
165.05536	4.9
166.05936	2.3
170.60130	1.5
193.05046	4.7
194.05304	2.7
195.06618	3.8
196.06859	1.7
206.68208	1.4
227.16493	2.7
329.10135	2.1
330.10455	2.1
342.10577	3.5
375.14536	3.1
376.14807	11.0
389.21732	2.4
390.12280	1.6
431.22821	5.7
538.25415	2.2
539.12280	1.8
539.27637	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2559
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62598	0.5
59.01371	1.2
61.98832	70.7
64.37430	0.6
69.71054	0.5
78.49290	0.6
78.95907	23.3
79.95686	0.5
84.80268	0.6
95.46819	0.6
96.96017	0.7
122.00119	1.0
140.01198	6.3
152.99580	1.8
196.03801	9.9
214.04828	2.2
241.21808	0.6
255.23291	100.0
256.23630	6.2
274.61456	0.7
340.20953	1.0
340.62497	0.6
419.05457	0.7
452.27814	49.5
453.28055	5.0
476.19946	0.8
537.25531	20.3
537.31427	0.7
538.25885	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.328
Annotation	Virenamide A
Peak:m/z	Relative Intensity
50.06308	0.3
53.31387	0.3
55.01871	0.9
57.03444	0.5
58.00583	0.6
59.01377	14.9
59.48707	0.3
61.98809	0.7
69.03460	0.4
71.01003	0.6
71.01379	8.5
72.99312	1.0
73.02950	1.9
83.01385	1.5
85.02937	3.4
86.23200	0.3
87.00873	1.1
89.02448	4.2
95.01372	1.0
98.19886	1.2
99.00871	0.9
101.02436	4.9
113.02440	2.1
119.03498	1.4
127.11245	0.4
147.04491	0.9
149.02388	0.7
150.03241	1.6
154.40039	0.3
165.05550	1.4
171.10213	0.9
195.06589	0.4
201.11319	0.3
251.16370	0.3
329.23398	1.6
339.25314	0.4
357.26404	4.5
373.25955	1.0
375.27484	15.8
376.27646	1.5
419.22333	0.4
477.30246	0.4
519.31586	2.4
537.32770	100.0
538.33142	11.6
538.41479	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.2145
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01248	0.6
55.01878	1.2
57.03453	1.5
59.01379	46.5
60.01720	0.7
61.98830	100.0
69.03468	0.9
71.01387	10.5
72.99313	1.9
73.02942	4.1
79.78742	0.6
83.01388	1.6
85.02938	4.6
86.89236	0.7
87.00908	1.4
88.98809	1.2
89.02452	4.5
95.01394	1.0
97.03009	0.7
99.00887	2.0
101.02440	10.7
111.00887	0.9
113.01278	0.6
113.02480	3.3
119.03531	0.8
119.05037	0.8
125.02476	1.0
143.03526	0.9
149.02437	1.1
150.03175	1.5
159.03014	1.2
161.04591	2.4
164.04761	1.0
165.05547	1.9
166.05908	1.1
171.10252	0.7
192.94687	0.7
195.06627	1.1
196.07019	0.9
200.13353	0.6
203.05597	0.7
208.03700	0.9
223.06201	2.6
224.06534	2.4
259.19159	2.5
271.15570	0.7
287.18845	0.8
288.88348	0.7
296.07959	1.0
317.19858	0.9
318.20142	1.1
371.20685	3.5
375.27866	0.7
376.28015	0.7
389.21777	12.5
390.26199	1.3
391.27075	3.4
420.23148	1.5
421.24399	5.1
431.22876	7.8
432.23584	0.8
479.24869	4.1
497.26407	3.0
503.25500	1.4
537.32471	1.8
538.25391	0.8
538.32886	3.9
539.28015	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.2142
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	32.7
60.01699	0.3
61.98830	100.0
65.73605	0.3
69.03467	0.4
69.44014	2.8
71.01379	5.8
72.99326	0.6
73.02937	2.7
73.69798	0.3
75.00883	0.9
83.01403	0.4
85.02954	2.4
87.00890	0.8
88.98821	0.4
89.02451	4.2
93.03448	0.7
95.01352	0.4
97.83708	0.3
99.00897	0.5
101.02464	3.4
102.98595	0.5
108.02151	0.6
111.00893	1.0
113.02457	2.4
119.03483	1.7
119.05042	1.5
121.02956	0.4
125.02421	0.4
127.32252	0.3
134.03728	0.5
135.03064	0.6
143.03500	0.4
145.41362	0.3
147.02911	0.5
149.02502	0.4
150.03249	1.4
152.01117	0.8
161.04570	1.3
162.03230	0.4
163.03993	0.7
165.01997	0.5
165.05542	2.1
166.05995	0.4
167.03535	0.9
178.02707	0.3
179.03140	0.3
179.05629	1.0
180.04228	0.6
193.05046	1.3
194.05458	0.5
195.06612	1.3
196.07010	0.4
223.06305	0.5
226.08167	0.3
235.20317	0.3
327.08853	1.0
376.14972	0.9
379.19684	1.3
389.21634	1.7
421.24817	0.6
431.22821	1.7
474.35117	0.4
491.19116	0.9
495.71786	0.4
538.19641	0.8
538.29071	1.7
539.12604	0.4
539.27417	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.214
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.3
57.03460	2.0
57.05738	1.5
59.01379	61.4
61.98829	100.0
63.99253	1.4
66.21111	1.5
69.03445	2.9
69.53185	8.0
69.53590	3.4
71.01057	1.8
71.01386	20.8
72.01708	1.8
72.99274	3.5
73.02946	11.6
75.00858	5.6
83.01369	2.6
85.02949	7.6
87.00869	4.1
87.04504	3.1
89.02457	7.9
93.03452	2.5
95.01411	1.6
97.02934	1.6
97.06588	1.5
98.06837	1.5
98.20594	3.0
99.00872	2.5
101.02434	9.7
109.06582	1.7
111.00853	1.7
113.02433	5.7
119.03480	3.4
119.05016	2.9
121.02935	5.3
122.03786	1.9
123.08163	1.8
125.02438	1.6
125.09721	1.8
133.09978	1.4
135.02934	3.1
135.04486	4.8
136.99144	1.3
137.09814	1.5
139.00232	1.3
149.02428	13.9
149.04456	1.5
150.03239	22.8
151.03526	11.8
152.01120	1.9
153.05472	1.6
157.08749	2.0
161.04498	4.3
163.03964	4.1
164.04826	7.6
165.05557	22.4
166.05940	11.3
179.03479	1.5
180.04289	1.9
181.12271	4.0
184.11176	1.4
193.01334	4.5
194.01752	2.8
195.06592	14.9
196.06987	11.2
201.11305	5.0
202.11607	3.2
208.03725	9.0
209.04103	7.4
221.27794	1.5
223.06107	35.0
224.06447	26.0
225.11246	6.6
226.11700	7.0
229.14522	1.5
246.63486	1.5
303.18063	2.7
371.20947	3.5
372.11536	5.0
389.21689	7.3
390.25793	1.7
391.26712	2.4
406.17929	8.2
420.13876	3.5
420.23016	4.2
421.24524	3.7
431.22696	5.7
479.24533	2.3
538.15472	3.5
538.22888	6.7
538.30524	6.6
539.21790	2.0
539.33795	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	537.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	40.7
61.98829	25.9
64.50733	1.9
69.83501	9.9
69.83927	3.1
71.01388	26.7
71.43217	2.5
72.53548	2.0
72.99306	5.6
73.02950	6.7
74.12004	2.1
75.00877	2.3
76.85996	2.4
78.95899	6.0
85.02962	8.6
87.00880	7.5
87.04521	3.0
88.98809	16.2
89.02448	28.3
93.23977	2.2
95.01395	2.8
95.86275	2.1
96.96011	10.4
96.96957	7.8
97.02931	2.8
99.04540	9.9
101.02433	14.8
108.02162	5.3
109.02964	7.6
111.04542	5.1
113.02455	6.5
114.23204	2.0
119.03513	10.7
119.04236	2.1
121.02961	3.2
122.03754	3.9
123.04532	14.0
125.02413	3.3
125.06164	2.9
127.04022	3.3
137.02415	5.2
147.06685	2.1
149.06071	14.5
150.03165	2.4
151.03957	2.8
151.07637	6.7
157.05066	3.2
161.04524	4.2
163.07648	4.7
165.05490	2.5
167.03525	2.2
177.01906	20.4
179.05661	5.4
179.07092	2.6
187.07629	2.6
189.05557	2.8
205.08742	7.0
223.09660	12.7
241.10915	2.7
261.11526	3.5
267.06686	6.2
279.12387	2.3
282.08972	6.3
297.11285	10.0
312.10129	3.1
315.14487	84.8
316.14914	4.8
327.12372	9.0
329.11343	2.8
339.07233	9.8
345.13394	7.1
375.14417	7.2
459.18765	6.7
477.19791	100.0
478.20175	7.2
508.39194	2.3
537.18146	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.182
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29653	2.9
57.03436	8.2
59.01379	100.0
61.98830	39.9
69.03456	5.0
71.01379	82.1
71.55141	3.5
72.99308	7.6
73.02946	14.6
75.00861	6.1
81.03453	3.0
83.01392	5.1
85.02952	19.0
85.03384	2.5
87.00898	16.1
88.98798	5.7
89.02441	98.0
93.03445	3.4
95.01424	3.5
97.02953	9.2
99.00877	10.5
101.02428	41.4
102.98647	3.4
104.60028	2.8
108.02132	3.2
109.02934	3.9
111.00869	8.6
113.02435	18.8
115.04024	5.2
119.03510	18.2
121.02962	5.8
123.04506	5.1
125.02442	26.3
131.03496	15.6
134.03732	6.7
135.03030	6.4
135.04393	2.7
137.02457	3.1
143.03482	4.6
149.02440	7.2
149.04529	28.9
149.06006	5.9
150.03201	11.1
151.03957	6.1
153.01917	10.6
161.04514	6.5
163.55028	3.1
165.05553	12.1
168.04243	10.8
173.06001	4.2
178.02808	3.4
179.05650	15.6
181.12234	3.0
185.95772	2.6
191.05600	10.0
193.05046	10.2
195.06650	6.3
203.07001	3.0
221.08112	6.8
233.06618	20.6
236.06047	2.9
243.15956	5.0
267.06552	4.6
282.08832	3.2
293.08798	35.8
312.09775	3.9
327.12363	8.6
341.10257	4.5
375.13980	4.4
405.21198	4.0
469.12479	3.5
477.19968	4.0
516.26251	2.6
537.19281	10.7
537.26398	34.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36291	1.3
59.01376	6.6
61.98835	5.7
63.69662	1.4
64.37690	1.4
69.00441	1.4
69.79044	7.3
71.01389	4.7
72.99318	2.3
87.00877	3.2
88.98816	2.1
89.02441	4.3
96.96012	2.3
98.19903	2.2
101.02420	2.8
113.02489	1.5
116.86179	1.5
123.04527	61.3
131.03592	1.7
136.01572	1.5
153.05576	100.0
154.05948	3.3
199.49319	1.7
206.18941	1.4
282.08823	1.8
297.11334	6.1
315.10886	55.7
315.14227	3.2
316.11130	2.7
327.12384	3.6
345.13535	2.1
375.09354	2.0
474.76724	1.6
475.49063	1.8
477.19699	4.8
478.62411	1.9
528.75562	1.8
537.14246	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1977
Annotation	Tanegoside
Peak:m/z	Relative Intensity
50.08788	1.7
53.22969	1.5
55.01873	3.2
57.03451	3.9
58.00589	3.9
59.01382	100.0
60.01684	2.3
61.98831	36.6
62.82022	1.9
67.76423	1.6
69.03446	1.7
70.83902	1.6
71.01384	64.7
72.01711	2.2
72.99318	6.3
73.02951	17.2
74.99104	1.8
75.00872	6.6
83.01390	4.2
85.02957	18.4
87.00887	7.9
88.98814	2.6
89.02447	79.5
91.09519	1.8
93.03499	2.5
95.01394	3.2
99.00867	5.5
99.04540	2.8
101.02453	36.9
108.02172	39.0
109.02979	4.3
110.89507	1.6
113.02467	23.5
113.06078	1.9
114.02770	2.2
117.01891	1.6
119.03513	29.0
119.04969	1.6
121.02946	6.4
122.03749	6.3
123.04518	22.1
125.02439	1.8
131.03479	3.8
133.02937	1.9
134.03738	18.2
135.03020	4.4
135.04506	2.0
136.01653	12.9
137.02446	7.8
143.03505	7.4
146.03787	2.1
149.02440	20.1
149.04564	4.3
149.06030	4.8
150.03233	40.0
151.04010	16.1
155.33716	1.7
159.02965	1.8
160.05290	3.6
161.04552	12.9
161.05984	3.2
162.03206	1.8
164.04865	5.8
165.01938	6.0
165.05582	39.1
175.07634	5.0
177.05583	2.8
178.02797	9.2
179.03458	1.7
179.04010	1.9
179.05617	21.3
179.07033	3.7
180.04254	5.1
187.04005	3.0
187.09811	2.0
188.04709	3.5
193.05067	33.6
195.06625	30.5
201.11368	3.6
202.06384	5.5
203.07201	2.1
218.05869	2.1
223.06055	5.7
225.07739	5.4
233.08243	5.1
283.06183	4.0
283.09454	2.1
297.07819	3.3
312.09921	3.5
313.10794	2.9
314.07867	3.6
327.08817	4.0
327.12335	36.6
329.10358	19.9
330.10745	3.0
331.17355	2.6
339.12326	2.3
341.10217	5.3
345.13449	7.5
345.93738	2.0
360.12292	8.3
371.11444	4.1
375.14511	49.0
375.22598	1.9
376.14844	5.6
389.12375	3.5
401.21759	1.8
419.11002	2.3
419.14029	1.7
419.22885	7.1
431.22845	2.0
474.78345	1.9
489.17801	4.4
537.19696	45.8
537.26129	20.5
538.19702	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	537.1614
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	0.6
58.00578	0.4
58.24924	0.4
59.01106	0.5
59.01379	7.1
61.98832	1.8
65.00302	0.6
65.03965	4.2
67.01889	1.9
69.03477	0.5
69.88572	0.6
69.88976	1.7
71.01378	4.3
72.99295	0.6
73.02950	1.5
77.54096	0.4
80.91689	0.5
85.02945	1.2
87.00877	0.4
89.02440	4.7
91.01899	13.2
92.02259	0.4
99.00889	1.1
101.02456	2.9
109.02953	26.9
110.03288	0.9
113.02467	1.2
119.03506	0.7
119.05049	0.4
121.02928	0.4
125.02450	1.4
135.00885	39.0
136.01236	1.5
147.04518	0.9
149.02455	0.4
153.01936	100.0
154.02289	2.6
171.10323	0.4
195.02911	0.4
201.57716	0.4
233.06708	0.9
243.06494	0.7
293.08771	0.8
348.96570	0.4
358.73041	0.5
375.27603	1.1
378.51694	0.4
389.25320	0.7
419.22580	0.4
429.10327	6.2
449.27734	0.6
537.19818	0.6
537.33563	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	5.6
57.03438	6.1
58.00574	3.2
58.90960	1.7
59.01382	68.5
61.98818	8.4
68.99824	2.9
69.03422	2.4
69.97800	2.1
71.01382	48.2
72.99313	6.9
73.02951	16.6
75.00875	3.5
83.01402	10.9
85.02938	23.5
87.00879	8.0
89.02439	17.6
95.01389	2.9
99.00887	7.3
101.02444	36.0
108.02148	7.0
109.02947	7.7
113.02448	16.0
119.03478	6.8
121.02922	4.3
121.12475	1.8
123.04513	3.0
134.03740	7.9
135.03026	5.1
136.01630	3.6
137.02431	9.4
143.03490	2.5
146.03716	2.4
149.02444	6.2
149.04536	3.5
149.06030	2.5
150.03223	12.0
151.04037	7.2
157.08693	2.4
160.05438	3.4
161.04556	9.9
161.05978	3.0
163.03998	2.8
165.01933	8.0
165.05594	12.2
175.03929	4.9
176.04860	2.5
177.05621	2.0
177.17050	2.1
178.02690	4.4
179.03357	2.4
179.05586	2.5
180.04279	6.4
190.06360	2.6
191.07114	2.9
193.05026	20.8
195.06584	10.2
206.05817	4.4
211.07661	3.9
221.08151	6.4
223.06050	3.8
225.07529	3.3
239.06955	2.9
242.05894	3.9
242.09535	3.5
243.10172	3.8
251.09366	2.4
255.06619	7.4
267.06677	6.5
274.04877	2.9
279.06711	4.6
282.08890	4.2
283.06238	2.3
287.09271	2.7
294.09061	2.3
297.08063	2.5
297.11292	11.1
312.09940	7.6
313.10840	6.1
315.08661	8.5
327.12335	43.2
328.12775	4.5
329.10178	3.8
331.11517	2.4
341.10333	4.0
345.13495	12.5
357.13492	7.1
375.14569	24.0
404.14496	2.2
413.14545	2.2
419.23062	3.8
421.15121	3.5
463.16113	100.0
464.16458	10.1
465.17441	2.5
475.15958	10.5
476.16434	3.0
477.23483	3.2
490.09247	1.9
534.72882	2.2
537.15656	4.7
537.25421	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	537.1227
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	4.3
57.03446	2.8
59.01376	13.7
59.79729	3.0
68.99812	9.3
69.03453	6.6
69.58365	15.0
71.01384	37.0
72.99301	8.0
73.02950	8.5
75.00855	3.0
83.01383	10.4
85.02932	13.1
87.00877	45.8
89.01939	2.5
89.02460	14.8
95.01385	3.4
97.02976	6.4
99.00869	17.9
101.02454	25.3
104.20016	2.9
104.48178	2.6
111.00902	13.9
113.02459	12.7
115.00356	3.8
118.15592	2.7
119.03468	5.8
123.00925	3.4
125.02453	6.1
127.00372	78.9
128.00716	2.9
129.01944	28.9
141.01944	7.6
145.01465	3.1
154.99886	5.6
157.01439	39.3
159.03029	3.9
163.06158	3.5
169.01414	12.3
175.02515	7.8
181.01430	6.4
181.07185	100.0
199.02483	36.4
217.04808	6.9
229.03519	46.1
257.02994	6.3
287.04099	74.2
319.06696	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	537.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	12.2
61.98828	11.0
69.03425	1.1
69.44035	3.1
69.44454	3.1
71.01382	4.2
73.02928	2.8
85.02921	1.7
87.00860	0.9
88.70472	0.8
88.98798	0.9
89.02439	2.7
93.03436	1.6
101.02421	2.6
113.02412	1.3
117.02000	1.1
121.02934	6.7
121.11596	0.7
122.03744	5.8
125.07928	0.9
133.02882	1.0
135.04515	2.1
136.01642	1.2
149.02441	35.5
150.03230	50.7
151.03842	1.1
152.01186	4.6
163.04012	4.6
164.04790	19.5
165.01869	1.4
165.05569	57.0
166.05908	2.3
169.05011	2.4
171.10223	1.1
179.07176	5.0
180.04240	4.0
180.05742	1.0
189.95091	1.0
193.01384	11.5
195.06622	43.7
196.06963	1.6
201.11247	1.5
207.87842	1.0
208.03748	25.9
223.06110	100.0
224.06447	3.0
371.11368	9.5
389.21545	1.2
389.25903	1.6
405.24628	1.1
407.25974	0.9
419.13507	12.1
419.22540	1.8
420.13925	1.5
537.17017	5.8
537.23865	1.4
537.29907	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	536.3592
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
71.46343	1.5
81.27925	1.0
100.09214	1.1
139.95250	1.2
176.08185	1.1
196.65428	1.1
235.84085	1.0
246.47028	1.1
367.04791	1.1
384.31689	1.1
418.07306	1.3
445.88419	1.2
473.36572	5.6
501.12076	1.1
525.78821	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.0886
Annotation	Unknow
Peak:m/z	Relative Intensity
57.51773	0.6
59.01384	12.9
59.42930	0.6
60.99308	16.7
61.98831	2.5
63.80888	0.7
65.00323	0.8
69.03430	0.6
69.20320	2.4
69.20753	4.2
71.01389	7.3
72.99315	1.1
73.02956	3.5
75.00864	2.0
76.30545	0.6
83.01408	1.1
85.02956	2.8
87.00862	1.4
88.98807	100.0
89.02455	3.5
89.99162	0.7
95.19682	0.8
99.00878	0.7
101.02448	5.4
102.98603	5.2
107.01344	1.6
109.02945	1.3
113.02460	3.1
119.03514	2.1
121.02948	1.5
125.02428	0.7
125.09743	0.8
131.71945	0.7
135.00912	0.7
135.02997	1.0
149.02423	0.8
150.03206	0.9
151.00372	7.4
153.09398	0.7
155.10873	0.7
157.08698	1.0
161.04585	1.4
163.00424	1.6
164.04761	1.8
165.05522	1.1
171.10246	1.4
178.99887	2.9
179.05649	0.9
179.07182	1.9
201.11330	2.4
211.04005	1.2
223.06082	0.9
225.78508	0.6
227.03487	1.3
229.05119	1.0
243.02852	3.4
244.99101	0.7
245.04436	1.0
255.02975	8.4
256.03421	0.8
271.02454	16.8
272.02890	1.6
283.02615	0.8
300.02725	41.3
301.03485	27.9
302.03879	2.5
317.19806	1.3
371.24271	0.8
375.27579	4.2
389.25394	2.6
405.25122	1.1
419.22717	3.3
447.09305	64.8
448.09607	7.2
537.32349	11.5
550.18311	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.0886
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	4.3
57.03445	5.2
58.00591	1.9
58.99599	3.5
59.01381	57.4
60.01727	1.7
60.99316	19.1
61.98832	26.5
63.96220	2.3
66.97646	2.1
69.03442	4.6
69.25821	13.5
71.01384	38.5
72.99303	10.2
73.02947	14.8
74.99091	3.8
75.00885	4.0
81.74249	1.5
83.01389	5.8
85.02949	12.1
87.00867	9.2
87.04515	3.3
88.98808	100.0
89.02456	20.4
92.33858	1.6
95.01380	2.8
96.96021	2.6
97.02939	1.8
97.06601	2.7
99.00883	3.7
101.02439	23.8
101.06084	1.9
102.98595	15.6
109.06618	1.9
111.00852	2.0
113.02449	12.9
115.20764	1.6
119.03503	7.0
119.05003	1.8
120.99600	1.8
121.02937	3.0
123.08233	2.9
125.09745	1.7
127.07580	2.1
129.01958	2.6
135.03004	4.1
135.98395	3.9
136.99174	2.0
141.01909	2.0
141.09174	1.9
143.07143	1.8
149.02419	6.2
149.04546	2.2
150.03221	7.4
151.04021	2.0
152.01221	1.8
153.09258	2.7
155.10788	2.0
157.08661	3.8
161.04549	4.5
163.04057	2.2
164.04829	4.2
165.04158	1.6
165.05556	7.1
169.08600	1.9
171.10365	7.9
179.05606	3.2
179.07098	3.8
185.00842	2.9
186.01237	1.9
195.06561	4.7
195.14072	1.5
201.11287	8.7
208.03755	3.7
223.06165	9.3
227.03471	4.5
255.02979	4.0
257.17789	2.1
284.03311	4.9
285.03842	1.8
300.02753	3.7
301.16370	1.7
312.90051	1.5
317.19662	4.7
374.96014	1.7
375.27539	13.7
389.25372	6.8
405.24771	4.6
419.22516	11.5
447.09390	12.8
493.26755	3.1
536.28369	2.1
537.31793	38.3
538.31519	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.1044
Annotation	Unknow
Peak:m/z	Relative Intensity
54.87598	0.4
57.03434	0.5
57.19841	0.5
59.01379	12.5
61.98830	100.0
66.10619	0.4
69.03450	0.8
71.01379	5.5
71.55565	0.7
72.99321	0.8
73.02943	2.4
75.00887	0.6
83.01378	0.7
85.02979	1.3
87.00888	1.6
87.33958	0.5
88.98824	0.6
89.02451	2.2
99.00889	0.6
101.02450	3.7
113.02473	2.1
119.03507	0.5
125.02454	0.7
137.02486	0.6
147.04575	1.2
161.04601	0.8
197.06068	0.6
227.03516	6.8
229.05231	0.6
237.09221	0.5
255.02988	9.8
256.03592	0.8
284.03259	9.8
285.04065	9.2
333.69180	0.4
355.24591	0.7
473.10892	18.2
474.11389	1.2
476.32404	0.9
505.92960	0.5
535.31433	7.6
536.32263	2.9
537.32648	0.7
559.78143	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.1986
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.2
55.32198	1.0
57.03451	2.1
58.12430	1.1
59.01380	100.0
60.01692	1.6
61.98830	88.5
63.23671	1.0
64.11031	1.2
65.11739	1.1
71.01382	20.3
71.55074	1.2
71.55456	1.4
71.56816	1.1
72.01704	1.4
72.99324	2.8
73.02943	10.0
75.00874	2.2
76.02805	1.1
83.01390	3.3
85.02957	7.6
87.00873	2.5
88.98804	2.3
89.02438	11.0
89.19054	1.3
89.99265	1.2
95.01403	1.6
97.03031	1.5
99.00881	2.4
101.02438	13.3
102.98633	2.5
111.11338	1.0
113.02431	9.1
117.97281	1.4
119.03490	3.5
119.05054	4.2
123.04492	1.2
123.08022	1.5
135.03004	2.5
137.09819	1.1
138.06854	3.8
143.03520	1.6
149.02495	1.6
149.04529	1.5
153.09206	9.5
161.04547	4.7
163.03984	2.4
165.05484	1.8
173.79311	1.1
191.02100	1.6
193.05032	1.5
225.11392	3.3
225.14917	16.7
369.19263	11.4
375.07196	2.5
387.20200	3.4
405.17813	3.4
419.22794	1.6
429.21231	15.8
536.28046	6.6
537.21643	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.3123
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65432	0.3
55.01877	1.1
56.44384	0.3
57.03447	1.3
58.00614	0.4
59.01379	22.4
61.83406	0.4
61.98828	3.4
68.99809	0.6
69.03468	0.7
69.92150	1.1
69.92545	0.9
70.95271	0.3
71.01383	10.8
72.99304	1.2
73.02940	2.5
75.00881	0.5
83.01388	2.3
85.02952	4.2
87.00879	1.8
89.02439	5.1
93.03380	0.4
95.01394	1.1
97.03011	0.5
97.06581	0.4
98.20509	0.5
98.65874	0.3
99.00882	1.9
99.31446	0.4
101.02444	7.4
109.02937	0.5
111.00890	1.8
113.02457	3.3
115.00285	0.4
119.03500	1.5
121.22968	0.4
123.08131	0.5
125.02479	1.1
125.09721	1.5
127.11311	0.5
129.02008	0.4
137.02483	0.4
139.00348	0.7
141.01903	0.6
147.04514	6.2
148.46219	0.4
155.10751	0.6
161.04541	0.7
165.01932	1.5
166.99687	0.4
171.10260	4.4
183.02977	0.7
211.02472	0.6
211.07909	0.3
285.20731	0.7
300.82468	0.4
305.06671	1.2
308.13153	0.4
327.21902	0.7
355.24869	3.7
356.25333	0.4
359.07681	1.9
371.24173	0.6
373.25937	12.8
373.30643	0.6
374.26379	1.0
375.27576	0.7
377.08524	0.4
391.19510	0.5
417.08231	4.9
418.08371	0.5
475.30820	1.9
476.12674	0.5
517.30371	1.8
535.31262	100.0
536.31555	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	535.2676
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	10.4
59.01388	55.1
61.32106	10.5
61.98831	21.5
62.81605	13.3
69.35387	100.0
70.70788	11.2
72.94385	10.1
78.95921	15.4
90.68745	12.5
96.96005	15.1
98.19862	11.1
102.59839	12.4
121.55727	10.4
157.76694	11.4
236.57674	14.1
278.22052	13.9
535.31818	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	535.2913
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60477	0.6
59.01379	100.0
60.01739	0.9
61.98829	2.5
71.01382	2.7
76.48988	0.5
85.02946	1.1
89.02457	1.3
96.96015	0.7
98.20649	1.6
98.22606	0.6
101.02464	1.2
113.02509	0.8
152.99557	0.7
161.04607	1.5
195.12148	0.7
493.28256	1.3
535.32739	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.3126
Annotation	glas#24
Peak:m/z	Relative Intensity
53.46625	0.3
55.01869	1.3
55.13388	0.3
57.03448	1.5
58.00588	0.8
59.01380	27.5
60.01703	0.9
61.98833	2.5
69.03466	0.5
69.51100	1.5
71.01382	11.0
71.05017	0.5
72.01715	0.4
72.99287	1.2
73.02955	3.6
75.00902	0.4
83.01376	2.0
83.05023	0.5
85.02952	4.3
86.94096	0.3
87.00863	1.6
88.98807	0.3
89.02444	5.3
95.01397	1.1
96.00196	0.3
97.40761	0.3
98.20644	0.3
99.00881	1.3
101.01786	0.5
101.02442	8.0
109.63123	0.3
111.00861	0.8
111.08166	0.4
113.02451	4.4
119.03498	1.3
119.05080	0.3
123.04486	0.4
123.08179	0.4
125.02426	0.9
125.09731	1.4
127.11292	0.6
129.01971	0.4
133.33876	0.3
137.09712	0.4
138.75433	0.3
141.09264	0.3
147.04489	1.6
155.10756	0.8
161.04538	0.9
165.01926	0.5
171.10258	4.3
247.75426	0.3
249.11290	0.5
250.11707	0.5
287.18680	0.4
325.23645	0.4
327.21689	0.8
327.25342	0.4
337.23892	0.5
355.24847	4.1
373.25928	13.5
374.26318	1.2
374.32883	0.3
375.27402	2.3
387.23761	0.4
392.20474	0.4
402.25470	0.4
474.30655	0.6
475.31006	4.5
491.25211	1.4
493.31509	1.3
517.30176	2.3
535.31226	100.0
536.31598	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	534.1098
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.4
59.01381	12.0
61.98831	100.0
69.03456	3.4
71.01385	4.3
71.55368	0.7
72.99313	1.3
73.02953	2.8
75.75770	0.4
83.01386	0.8
85.02956	2.1
86.91612	0.4
87.00885	1.6
89.02436	2.1
97.02947	0.9
97.06643	0.5
99.00896	1.6
101.02446	2.8
102.08546	0.4
102.98631	1.0
109.02913	0.5
111.00888	1.2
113.02464	1.1
119.03522	0.7
119.05074	0.5
120.43901	0.4
120.99632	0.6
125.02449	0.5
129.01950	0.8
134.03732	0.6
135.02986	0.7
135.98421	0.4
136.01683	1.1
137.02463	0.6
139.00374	0.6
139.07637	0.4
141.01991	0.6
147.04552	3.5
150.03224	0.4
151.04059	1.4
153.01944	0.4
153.09271	0.4
157.01463	0.4
161.04526	0.8
165.00687	0.4
165.01833	1.8
167.03520	0.4
183.02980	1.2
185.00955	2.2
193.05090	1.2
197.52220	0.4
201.11356	0.7
211.02480	0.9
223.13412	1.0
240.16248	0.4
290.60617	0.4
295.95673	0.5
358.10571	1.4
359.07880	1.2
373.12820	6.0
373.16843	0.7
384.31750	0.5
387.23987	0.5
397.22314	0.4
415.23581	0.8
416.24606	0.4
417.08243	2.9
417.25351	0.8
435.09351	1.4
533.29498	0.8
534.20178	1.8
534.27728	0.6
535.22156	1.4
535.29248	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.1468
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	43.1
60.01711	0.7
61.98833	100.0
69.03467	2.0
69.33451	5.7
71.01382	8.8
71.72122	0.7
72.99321	1.9
73.02952	4.5
75.00880	0.8
83.01395	1.0
85.02969	2.5
87.00893	2.5
89.02451	3.3
97.02973	0.6
99.00906	1.2
101.02454	3.8
102.98623	2.9
113.02464	2.3
119.03525	1.7
120.99689	1.2
125.09761	0.8
134.03793	1.1
141.64027	0.8
144.11664	0.6
147.04497	1.0
150.03256	0.8
161.04631	0.7
165.05571	0.9
176.31715	0.6
179.05646	0.6
183.02885	0.8
193.05180	1.5
194.05389	0.8
203.05717	2.1
225.07585	0.7
358.14362	0.9
359.07864	0.8
373.16611	1.8
387.23792	0.7
389.25125	0.9
417.20520	0.8
417.25391	1.1
444.17667	1.3
456.17920	1.1
462.19034	0.9
474.18887	3.0
504.20029	1.3
513.10699	0.7
533.29523	1.1
534.29425	2.5
535.21649	3.3
535.30505	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	534.1825
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	3.4
59.01380	100.0
61.98832	88.4
69.03445	5.6
71.01380	33.2
71.22091	2.5
71.55666	2.5
72.99311	4.7
73.02958	17.0
75.00858	3.0
83.01360	5.4
84.33974	2.7
85.02934	9.6
87.00875	3.4
89.02450	20.9
95.01421	2.8
97.06580	2.7
99.00880	3.8
101.02443	19.6
102.98563	3.5
113.02425	15.0
119.03511	6.5
120.99634	5.3
124.91660	3.0
125.06022	2.5
128.03546	2.8
135.02948	5.1
138.06863	5.5
141.01958	3.0
149.04567	5.3
151.07655	7.3
152.08408	12.1
153.09210	40.4
161.04538	6.0
179.03540	2.8
185.00803	3.0
195.40176	2.8
205.12263	11.5
223.13350	18.0
225.48935	2.8
235.58548	3.3
245.99150	2.8
314.94733	2.6
365.23410	3.1
367.17618	11.4
373.12906	3.2
385.18359	4.0
417.21017	3.7
427.19913	12.8
474.18674	4.9
475.21729	5.0
534.13324	5.3
534.29248	3.2
535.10730	6.8
535.18915	2.9
554.16699	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	534.1101
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94635	0.3
56.98027	0.8
57.03447	1.3
59.01377	15.5
61.98830	100.0
69.03465	0.7
69.21294	3.7
69.26282	0.4
70.65089	0.4
71.01382	4.4
71.05019	0.4
72.99317	1.1
73.02953	2.8
74.99110	1.6
75.00872	0.9
77.33347	0.3
79.98444	0.4
83.01386	1.1
83.05016	0.5
85.02954	1.9
87.00902	1.5
89.02441	2.7
89.39067	0.4
96.96017	1.1
99.00914	0.9
99.04489	0.7
101.02458	3.8
103.05563	0.4
103.41895	0.4
111.00907	1.2
113.02453	1.9
113.06057	0.8
115.00394	0.5
117.97304	0.5
119.03531	0.7
121.02974	0.7
133.51962	0.4
135.03021	1.6
135.98358	0.8
136.99139	1.6
137.02481	0.5
137.09734	0.5
139.00421	0.5
141.37981	0.5
147.04521	4.1
149.02440	0.4
149.04576	0.5
150.03278	0.7
153.09239	1.7
157.01472	0.4
160.32259	0.4
161.04594	1.0
165.01936	0.7
165.05623	0.5
165.09264	1.5
171.06628	0.4
180.75291	0.4
183.02960	0.9
187.11328	0.6
193.04996	0.7
194.05359	0.5
203.05688	0.5
205.12376	1.6
208.11148	0.5
211.02472	0.9
215.29094	0.4
223.13377	9.6
359.07956	1.8
417.08136	2.9
435.09476	1.6
534.13556	0.8
534.21790	0.6
534.29828	0.5
535.22784	1.4
545.49469	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.1825
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	3.4
59.01380	100.0
61.98832	88.4
69.03445	5.6
71.01380	33.2
71.22091	2.5
71.55666	2.5
72.99311	4.7
73.02958	17.0
75.00858	3.0
83.01360	5.4
84.33974	2.7
85.02934	9.6
87.00875	3.4
89.02450	20.9
95.01421	2.8
97.06580	2.7
99.00880	3.8
101.02443	19.6
102.98563	3.5
113.02425	15.0
119.03511	6.5
120.99634	5.3
124.91660	3.0
125.06022	2.5
128.03546	2.8
135.02948	5.1
138.06863	5.5
141.01958	3.0
149.04567	5.3
151.07655	7.3
152.08408	12.1
153.09210	40.4
161.04538	6.0
179.03540	2.8
185.00803	3.0
195.40176	2.8
205.12263	11.5
223.13350	18.0
225.48935	2.8
235.58548	3.3
245.99150	2.8
314.94733	2.6
365.23410	3.1
367.17618	11.4
373.12906	3.2
385.18359	4.0
417.21017	3.7
427.19913	12.8
474.18674	4.9
475.21729	5.0
534.13324	5.3
534.29248	3.2
535.10730	6.8
535.18915	2.9
554.16699	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	534.1827
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
60.01711	3.6
61.98830	69.4
61.99159	3.3
69.03446	6.9
71.01380	35.6
71.55157	2.1
71.55573	2.3
72.99315	2.6
73.02937	15.7
83.01389	6.4
83.05016	1.8
85.02956	11.1
87.00888	3.8
89.02449	22.6
95.01385	2.6
95.04962	1.8
97.02941	4.3
99.00881	4.0
101.02441	20.5
102.98588	2.6
113.02447	16.7
117.97298	1.6
119.03488	9.0
120.99684	2.6
123.08157	1.9
128.03539	2.4
131.03510	1.7
135.02992	1.9
138.06882	6.1
139.07585	2.1
143.03528	4.5
143.04575	2.3
145.05023	1.6
149.04521	3.2
151.07654	5.3
152.08455	14.3
153.09216	26.2
161.04533	11.7
164.79076	1.7
166.53470	1.6
179.05615	3.0
185.00908	3.6
205.12325	10.8
223.13416	5.6
306.07538	3.4
328.15063	1.9
367.17575	33.3
368.18039	2.4
380.53311	1.6
385.18655	4.5
427.19620	15.7
503.16898	2.2
533.10327	2.0
534.23761	3.5
535.27997	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	533.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	2.7
57.03439	2.2
57.47174	1.6
58.99596	3.9
59.01381	42.0
61.98826	15.6
69.03458	7.0
71.01390	13.5
72.99319	4.0
73.02943	8.9
74.51659	1.4
75.00903	1.7
81.03463	4.1
83.01404	7.0
83.05042	2.0
84.95118	4.3
85.02960	6.7
87.00874	3.5
89.02440	9.4
91.76402	1.5
93.03458	5.0
95.01383	2.5
95.05041	3.3
96.96018	2.0
97.02951	4.7
99.00887	3.6
99.04556	2.3
101.02427	8.1
101.06114	3.6
102.98597	22.9
109.02957	5.5
109.06610	1.5
111.04516	3.1
111.08139	1.8
113.02463	7.6
119.03527	3.6
119.05050	2.9
120.99670	2.1
121.02961	5.1
121.06588	1.6
122.03751	6.9
123.04533	5.7
125.02447	9.3
125.06078	11.2
134.03748	35.6
135.03006	2.3
135.04471	2.9
137.02457	11.5
137.09680	1.9
139.04002	8.6
149.02480	7.6
149.05060	1.2
149.06050	9.2
150.03242	36.4
150.41403	1.7
151.03975	3.8
153.09271	1.4
158.44772	1.5
161.04546	2.1
162.55626	1.5
163.00670	2.9
163.90700	1.8
165.05580	37.1
165.09198	7.1
166.05853	2.9
167.03484	13.7
178.02727	20.7
179.10745	3.3
180.04317	4.4
181.04979	2.0
181.08757	1.6
182.03111	1.4
185.00873	3.2
193.05057	76.8
194.05305	1.7
195.06639	27.0
197.04529	4.8
203.10847	1.5
205.08650	2.6
207.10246	2.5
209.04570	12.9
209.08228	10.1
221.08200	3.9
223.09740	2.2
231.09932	1.6
233.08167	1.8
235.09877	3.5
239.05620	4.4
251.09248	20.0
263.09109	7.4
277.10770	2.9
281.10294	7.8
293.10318	100.0
294.10580	6.2
296.44263	1.6
305.10291	4.9
310.36636	1.7
323.11343	70.0
324.11685	4.9
335.11221	3.4
341.10257	4.2
353.12466	21.3
360.80243	2.0
377.12680	2.4
383.08572	2.1
395.13464	6.1
407.13507	1.6
413.14648	13.1
413.21695	3.6
415.23871	2.9
425.14417	4.3
443.15570	2.2
467.04834	1.5
473.23831	3.0
489.23297	2.6
533.19574	10.8
533.27594	2.5
534.19092	2.4
555.60999	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.8
59.01380	100.0
61.98833	1.3
66.93536	0.6
69.03458	1.3
69.34905	5.0
71.01385	7.5
71.05048	0.9
73.02941	4.8
78.48656	0.6
81.03456	3.5
83.01389	2.2
83.47367	0.6
85.02971	2.6
89.02450	3.6
96.96027	0.7
97.02975	1.1
98.03744	2.5
99.04523	13.8
101.02450	6.7
113.02454	2.7
119.03483	1.5
120.01286	1.4
120.91425	0.6
125.30301	0.6
139.07668	0.7
143.03453	1.0
149.04550	0.9
149.09741	2.7
161.04547	3.3
167.10768	6.6
178.19696	0.7
194.24913	0.7
194.84476	0.7
203.05653	4.4
231.13939	1.1
249.15010	1.1
267.16064	0.9
279.68210	0.7
303.10797	0.9
345.10812	1.0
401.16379	2.6
411.20413	2.8
429.21353	1.9
471.22147	4.7
496.37759	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57996	0.7
55.96384	0.8
57.82715	0.7
58.00583	1.1
59.01378	18.2
61.92050	0.8
61.98826	8.2
69.03461	1.8
69.31867	1.6
69.32272	5.1
71.01385	6.3
71.04964	0.8
72.99310	1.0
73.02940	2.5
73.25965	0.7
74.99110	1.2
77.04022	0.7
81.03471	1.2
83.01369	1.2
83.90918	0.8
85.02966	1.5
87.00873	1.3
89.02458	3.9
93.03458	2.8
96.96009	1.0
97.02949	1.4
99.00893	0.9
101.02435	3.9
102.98602	3.1
109.02910	1.1
113.02454	3.0
119.03542	1.9
119.05018	1.1
120.99611	2.0
121.02956	14.6
122.03775	7.1
123.04529	1.4
125.02426	1.7
125.06078	1.0
133.02962	2.3
134.03741	58.6
135.02991	1.3
135.04472	3.5
135.07056	0.7
137.02455	7.4
139.04024	3.1
147.04520	1.1
149.02432	23.1
149.06087	12.6
150.03227	54.9
151.03619	2.0
151.56165	0.8
161.04541	1.5
164.04807	3.9
165.05562	57.3
166.05829	1.7
167.03500	1.6
178.02692	25.2
179.03224	1.1
179.05479	0.9
180.04271	3.9
181.05106	0.9
182.24062	0.8
193.05051	100.0
194.05409	3.7
195.06619	41.4
196.06870	1.3
205.08606	0.9
207.06714	0.9
209.04471	1.1
209.08168	1.6
211.07597	1.0
221.05995	2.0
234.06874	1.4
235.07620	1.4
239.07120	3.0
250.06296	4.3
251.06982	1.0
251.09322	1.2
253.08624	1.4
254.09470	1.0
263.09164	1.6
265.08722	1.0
267.06555	4.0
282.08981	6.8
293.10257	9.8
294.10507	0.9
297.07819	0.9
309.07715	0.9
323.11270	7.7
326.07883	1.2
341.10306	56.4
342.10510	4.4
353.12231	1.1
359.15170	1.0
389.12411	5.1
402.54324	1.0
413.14539	1.7
413.21878	0.9
415.19458	1.8
473.23407	0.9
533.19287	1.6
533.29425	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	531.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52129	1.6
55.01865	2.3
57.03456	2.2
58.59203	1.4
59.01378	100.0
61.22768	1.4
61.98827	68.4
69.03461	3.1
69.33300	10.5
69.33716	3.1
71.01383	44.2
72.99298	5.0
73.02951	11.5
73.79324	1.4
75.00871	2.8
77.53907	1.6
81.03419	1.5
81.07111	2.6
83.01387	3.3
83.05020	2.6
85.02961	11.0
87.00871	3.6
89.02444	53.0
92.54867	1.4
95.01390	3.9
97.02946	1.8
99.00890	2.1
99.04527	6.1
101.02441	35.6
113.02440	19.6
117.17617	1.5
119.03499	87.5
119.04945	4.2
120.99665	14.2
125.02448	1.6
131.03477	2.9
143.03497	2.8
143.44157	1.4
149.04538	2.7
161.04514	7.6
161.13341	22.2
163.04004	2.1
179.05602	13.3
185.00995	2.0
187.11282	4.9
205.12317	44.4
206.12679	1.9
220.32376	1.4
249.11307	68.3
250.11711	4.1
281.13791	3.2
283.14578	3.1
295.09741	1.6
311.09106	1.9
351.14420	7.2
385.18671	1.6
413.21866	1.7
429.17569	51.8
430.17908	4.5
471.20490	1.9
473.14832	1.7
531.20593	37.7
531.28278	12.5
532.20496	3.4
532.28809	1.6
544.86469	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	531.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34855	0.5
55.67714	0.5
57.03437	1.2
58.00605	0.9
59.01379	100.0
60.01727	0.8
61.98825	5.3
62.37452	0.5
63.96250	0.4
64.26956	0.6
69.03461	1.8
71.01381	8.0
71.55576	0.5
72.04245	0.5
72.99300	1.2
73.02936	3.2
75.00879	0.9
79.95749	2.7
81.03479	0.6
83.01379	0.6
85.02933	3.1
87.00880	1.6
89.02432	3.7
89.65350	0.5
95.01375	0.7
96.96013	92.6
97.02939	1.5
99.00875	1.0
101.02435	4.0
102.98588	1.6
109.02871	0.6
113.02442	2.9
115.00381	0.9
118.98090	0.6
119.03545	2.5
119.05048	1.5
120.99654	2.0
132.03012	0.8
135.03052	1.0
148.61943	0.6
151.07663	0.6
161.04506	1.4
161.99138	0.5
163.00650	0.8
166.40671	0.5
176.07166	0.6
177.05513	1.3
179.03484	0.7
179.05598	0.8
185.00946	0.7
208.09503	0.8
211.07600	1.3
227.08125	0.6
239.10764	1.5
249.11449	0.5
267.15738	0.7
269.09186	2.3
271.10907	1.4
273.63025	0.6
283.09943	0.7
288.53140	0.5
300.02707	1.3
301.11612	0.7
394.17386	1.1
400.92224	0.6
411.20050	0.7
413.17255	2.4
429.21252	1.5
433.07767	0.9
471.22220	0.9
531.31860	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18753	0.8
51.34905	0.8
55.01878	1.9
57.03436	2.5
58.00579	1.5
59.01381	54.1
60.01716	0.9
61.98832	12.5
66.91364	0.8
67.01914	0.9
69.03457	1.5
69.93095	3.6
71.01379	29.5
72.99297	2.8
73.02946	6.2
75.00867	1.1
81.03475	0.9
81.07094	1.3
83.01389	2.0
83.05016	1.4
85.02950	8.4
87.00874	1.2
89.02446	28.2
95.05013	1.3
96.96028	1.2
97.06548	1.9
98.91763	0.9
99.00878	2.3
99.04504	3.5
101.02448	19.6
113.02444	8.7
119.03506	100.0
120.03850	1.6
120.99630	1.6
123.04540	1.3
131.03484	1.5
135.02957	1.1
137.09715	1.4
139.07651	1.2
143.03500	2.4
149.04547	3.0
150.20151	1.0
151.07643	1.0
161.04544	3.9
161.13347	21.7
179.05595	6.6
179.10779	1.5
187.11313	4.4
205.12320	33.8
206.12512	1.4
207.10246	3.3
221.11871	1.1
229.12149	1.2
249.11348	17.9
250.11574	1.3
281.13934	36.6
282.14194	3.5
283.14499	2.0
300.39810	0.9
311.02182	1.5
313.03323	1.1
339.01346	2.6
340.02084	2.3
341.02856	1.6
351.14572	5.0
385.18655	2.6
411.16321	2.1
413.21661	1.9
429.17508	11.4
447.09399	3.1
459.09274	1.1
487.08936	6.5
531.20789	34.3
531.28571	4.2
532.20990	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	531.208
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	2.2
58.00586	3.0
59.01380	66.3
61.36108	1.4
61.98831	32.9
69.03430	1.7
69.32488	4.9
69.32914	7.0
71.01386	31.5
71.05064	1.3
72.02100	1.2
72.99308	3.5
73.02940	6.3
85.02946	8.4
87.00896	3.4
89.02441	35.9
95.01370	4.0
96.95987	1.4
99.04485	4.3
101.02441	21.9
111.04509	2.4
113.02454	13.7
119.03503	100.0
120.03794	1.8
131.03497	2.0
139.07599	1.6
143.03522	2.4
149.04572	1.8
161.04570	3.3
161.13364	13.1
179.05606	11.3
183.48434	1.4
187.11256	4.7
199.38837	1.4
199.88602	1.4
205.12326	37.8
206.12630	2.4
236.25005	1.4
249.11333	38.2
250.11710	2.1
345.13968	1.6
351.14444	12.6
362.69693	1.5
385.18677	3.3
429.17664	26.9
430.17923	2.7
501.43076	1.5
531.12738	3.1
531.20740	50.8
531.28162	6.2
532.21277	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	531.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	64.5
61.98817	5.3
69.03453	1.5
69.57549	7.1
71.01389	13.5
72.99300	1.4
73.02953	7.1
75.00897	1.4
83.01382	2.6
85.02968	7.4
87.00866	1.9
89.02446	5.2
96.96002	1.4
97.02954	1.1
99.00930	1.9
99.04509	1.6
101.02449	9.9
113.02437	6.6
119.03513	3.1
120.99646	1.2
122.03726	5.8
123.04539	1.5
125.02460	2.2
127.05426	1.0
135.03033	0.9
135.08055	1.2
139.07693	1.3
143.03464	1.5
148.05257	1.9
149.06065	1.4
151.07637	9.0
153.09207	1.3
161.04533	4.4
163.07692	2.6
173.06024	2.5
185.00894	1.0
189.09196	3.0
191.07143	4.5
192.07791	1.7
203.05537	1.4
207.10220	9.9
225.11182	1.4
257.18546	1.1
263.16592	1.0
267.15875	1.6
282.14621	8.4
283.15503	48.7
284.15750	2.1
314.13687	7.7
390.98602	1.2
427.19934	6.1
428.19681	1.0
443.17831	1.5
445.20657	9.9
446.21457	1.3
487.21835	100.0
488.22299	11.0
531.19073	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	529.3018
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46967	0.7
53.30118	0.7
59.01379	9.5
61.98827	2.2
71.01382	5.9
71.01711	0.8
71.54815	0.7
73.02965	1.2
78.95916	0.9
79.47937	0.8
85.02965	1.4
87.21564	0.8
89.02444	5.8
101.02442	7.5
113.02465	2.5
119.03485	1.4
127.20248	0.7
143.48267	1.1
149.00017	1.1
161.04558	1.5
179.14404	1.2
195.13899	7.7
196.14471	1.1
202.19765	0.7
223.13402	5.2
246.76015	0.8
253.09299	27.0
254.09561	1.3
275.20105	5.7
293.21228	100.0
294.21545	5.8
447.13669	4.6
529.27582	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.3019
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.6
61.98831	1.8
69.40100	2.2
78.95904	19.0
80.28442	0.3
86.76647	0.3
90.41184	0.3
98.20716	0.5
99.76078	0.3
106.31104	0.3
110.63882	0.3
134.44453	0.3
152.99568	2.7
168.04317	3.4
192.76884	0.3
224.06926	8.2
225.07297	0.3
237.01775	0.3
242.07993	2.4
255.23289	100.0
256.23663	6.3
277.21719	0.9
304.92639	0.3
480.30930	64.4
481.31271	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	531.1721
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32195	0.9
55.01857	2.8
57.03448	9.0
58.00573	0.9
58.33334	0.8
59.01379	100.0
61.98829	2.7
69.03456	37.1
69.38390	7.7
69.80265	0.9
70.63460	0.9
71.01379	22.3
72.99290	2.7
73.02955	9.3
75.00861	1.0
79.01879	2.3
83.01378	3.0
85.02946	6.5
87.00863	3.7
89.02439	20.5
91.66538	0.9
95.01373	2.2
96.96011	2.2
97.02975	7.0
97.80900	0.9
99.00864	9.9
99.04542	3.1
101.02444	12.9
107.05027	0.9
109.67010	0.9
113.02431	8.8
119.03511	5.8
119.05045	1.0
121.55727	0.9
122.47324	0.9
123.04469	1.6
125.02385	1.4
131.03468	1.4
135.02940	1.9
141.01894	4.5
149.04536	2.2
152.90421	0.9
161.04526	4.1
163.11285	32.6
164.11618	1.0
170.74870	0.9
174.01657	1.9
179.05641	4.3
185.00903	31.3
203.01884	1.1
266.59171	0.9
369.15378	2.0
387.16580	62.9
388.16904	3.2
399.53146	0.9
401.16132	2.3
404.51605	1.0
429.17593	41.1
429.33661	1.1
430.17957	2.2
469.20734	9.0
471.22031	1.3
487.21695	1.6
531.20898	18.2
532.21075	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.0649
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03421	0.4
57.04288	0.3
59.01382	5.6
61.98531	0.5
61.98834	7.8
68.35313	0.3
69.18774	0.6
69.19183	2.5
69.76386	0.3
71.01380	1.6
71.02321	0.3
72.99280	0.4
73.02937	1.5
78.95905	1.4
79.95737	4.2
83.01381	0.5
84.22435	0.3
85.02959	0.7
86.86623	0.3
87.00872	0.6
89.02441	1.0
96.96013	100.0
97.06589	0.3
98.19878	0.7
101.02435	1.3
113.02443	0.5
125.02439	0.3
135.08141	0.4
142.25906	0.3
151.07635	0.6
152.96356	0.3
176.91521	0.3
179.10742	0.4
223.09715	0.3
227.03503	1.2
255.02960	2.1
258.39340	0.3
284.03287	2.8
285.03979	2.5
307.18985	0.7
404.97714	0.3
431.09808	4.8
432.10013	0.5
511.29471	0.6
529.29163	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3015
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	0.7
59.01377	9.8
60.24879	0.6
61.98834	4.0
71.01383	7.1
72.99306	1.2
77.77664	0.6
82.36042	0.8
83.01371	1.0
85.02958	1.8
87.00896	0.9
89.02448	6.8
91.17629	0.7
101.02432	7.2
113.02460	3.2
119.03521	1.9
133.78635	0.9
161.04498	3.4
179.05635	0.9
183.10271	0.7
195.13902	8.5
211.13504	0.8
223.13307	6.1
228.13686	1.5
253.09279	29.9
254.09579	0.9
256.13223	1.8
275.20175	5.3
293.21231	100.0
294.21579	6.9
482.64743	0.8
529.27545	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2141
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	1.5
61.98831	100.0
62.77473	0.3
69.36125	0.7
69.36520	2.6
71.01401	0.9
72.99325	0.7
87.00897	0.7
89.02460	0.3
98.19920	0.7
105.01903	0.4
105.50618	0.3
106.30582	0.3
113.02502	0.3
208.02924	0.4
300.02820	0.4
329.17535	0.4
444.81638	0.4
463.09030	0.8
526.18408	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2857
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79976	1.6
57.03459	4.2
57.62793	1.6
59.01377	22.0
61.98843	3.8
71.01384	24.2
71.55120	3.2
72.99319	8.9
73.02964	2.3
75.00877	22.4
75.02789	1.6
76.81058	1.7
80.96534	7.7
85.02951	26.1
87.00873	8.9
89.02473	5.8
90.43780	1.8
94.98085	2.7
95.01414	4.1
99.00866	13.3
103.00415	3.2
113.02455	37.5
115.00402	2.4
117.01986	4.3
129.02020	1.9
137.23505	1.7
157.01401	1.9
175.02516	5.0
175.56531	1.9
191.82320	1.6
205.07249	3.5
225.00789	2.4
249.06194	10.9
267.07315	9.0
277.21725	65.4
278.22238	4.8
338.74789	1.8
509.27679	2.6
527.28827	100.0
528.29193	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	526.0837
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	2.8
59.43021	1.5
61.98830	100.0
69.38366	9.9
71.01374	1.8
74.57476	1.4
75.64201	1.4
82.09035	1.5
89.37209	1.3
121.02949	2.0
151.00394	7.0
163.00342	1.4
165.90126	1.4
178.99895	2.8
227.03398	2.0
243.03009	5.0
254.02271	2.1
255.02971	12.7
271.02426	23.9
272.02893	2.7
300.02771	55.9
301.03458	29.6
302.04044	2.1
322.39737	1.6
407.26385	4.2
408.27087	2.3
463.08820	69.0
464.09232	7.6
525.29150	3.5
526.29297	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	526.0838
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	7.9
61.98830	46.8
63.02391	2.1
65.00322	5.1
70.72667	2.3
71.01380	5.1
72.99305	1.5
73.02940	1.2
78.35619	1.0
82.00597	0.9
82.42624	0.8
83.01366	3.7
85.02942	1.6
87.00903	1.5
89.02441	3.7
93.03462	1.3
96.95965	0.9
99.00862	1.1
101.02438	2.4
107.01386	11.6
113.02457	1.7
113.07495	1.0
121.02958	8.8
125.02456	1.2
151.00369	53.6
152.00780	1.2
157.43854	0.9
159.93425	0.9
165.05528	0.9
169.01442	1.0
174.26651	1.0
178.99855	24.4
180.00102	1.0
229.05055	1.2
257.04568	1.1
273.04047	3.0
300.02762	3.8
301.03525	100.0
302.03860	5.9
311.09619	0.9
463.08817	91.4
464.09134	9.2
494.15955	2.1
525.23419	3.4
526.23871	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	525.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80753	1.7
59.01381	25.0
61.98829	41.9
63.48199	1.8
68.76710	1.8
69.03468	2.8
69.57952	4.4
69.58371	8.8
71.01368	9.7
72.99294	3.1
73.02933	4.4
73.52547	1.7
74.99088	2.2
75.00854	12.4
81.03436	2.1
85.02939	4.3
87.00920	4.4
89.02449	4.8
93.03429	2.9
95.01406	4.0
96.67198	1.7
96.95985	2.9
97.02961	3.9
99.00909	2.6
101.02436	6.6
108.02200	18.9
113.02455	4.6
121.02966	15.0
122.03738	8.3
123.00848	2.9
123.04520	18.9
133.02988	2.6
134.03758	16.9
135.03036	12.8
135.04524	3.6
136.01672	56.3
137.02039	1.8
139.64958	1.7
149.02443	33.7
149.06065	15.7
150.03239	82.8
151.00439	2.5
151.04022	99.1
152.01157	33.3
153.01312	1.9
153.05568	2.8
164.04802	8.3
165.05577	100.0
166.02608	2.2
166.05890	3.6
167.03505	94.6
168.03825	3.4
177.04062	1.7
180.04259	6.4
181.05061	12.5
185.00955	2.7
185.64285	1.8
193.05054	4.6
195.04799	3.4
195.06621	59.7
196.06963	2.7
197.04390	1.8
209.04582	5.5
211.06082	3.8
213.05426	2.6
224.04807	2.1
236.04787	2.5
237.05438	2.6
241.05000	2.8
252.04140	4.1
255.06511	2.7
256.07416	10.3
271.09763	4.4
284.06992	5.6
299.09256	17.6
300.06284	2.0
313.08197	2.4
315.08719	33.5
341.10208	3.1
349.10614	2.3
359.11389	9.2
363.06735	3.1
363.10889	45.7
364.11057	3.5
389.12460	2.9
407.13483	80.0
407.18732	3.3
408.13812	8.2
525.15625	11.5
525.28864	9.6
535.99780	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	525.2832
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12673	28.8
59.01368	60.4
61.98832	100.0
66.49674	26.5
71.55065	43.2
86.59058	26.2
138.21988	35.0
165.69711	31.6
199.50078	27.7
245.23499	27.8
301.03421	41.4
463.08728	35.6
464.96704	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	525.2915
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01927	0.6
57.03506	2.5
59.01440	6.5
61.98537	1.5
61.98893	18.5
69.03531	0.7
69.22761	1.8
69.23185	3.7
70.35572	0.5
71.01456	3.6
71.04726	0.7
71.05094	2.0
72.99344	0.9
73.03022	51.7
74.03314	0.6
75.00953	3.9
85.02551	1.0
85.03035	2.1
85.06595	2.7
87.00916	0.9
87.04516	12.2
89.02528	1.5
93.68794	0.5
96.73017	0.5
97.06680	2.0
99.00916	0.9
99.08251	1.6
101.02536	2.1
101.06147	1.2
109.06636	1.2
111.08249	2.1
113.02487	1.2
113.06161	1.1
115.07745	2.6
123.08298	1.6
125.09789	1.4
127.11324	0.7
129.09325	2.0
131.07158	0.8
135.03091	2.0
136.99219	0.7
137.09778	1.4
138.06976	1.0
139.07747	1.1
141.09317	1.2
143.10863	1.4
144.07954	0.8
145.08788	0.7
149.09836	1.0
151.07745	0.6
152.07259	0.7
153.09308	2.3
155.10855	1.7
157.08798	1.2
159.10329	1.3
167.10847	1.6
169.12437	1.6
170.50174	0.6
171.10330	1.0
173.11920	1.3
187.13351	3.1
191.05595	0.8
195.13940	1.2
197.15547	0.9
201.11446	0.7
209.15390	0.6
214.15562	0.7
223.17128	0.9
225.14958	0.7
231.15996	0.9
243.16115	0.7
245.14081	0.6
245.17555	1.0
251.16650	1.9
273.20734	1.3
299.22281	1.2
301.20209	0.9
303.21689	5.7
304.22049	0.6
315.21948	1.6
333.22775	8.0
359.24579	0.9
361.18787	1.0
363.16934	1.5
377.25470	5.9
389.25336	3.5
393.21457	0.9
407.26480	100.0
408.26889	8.3
445.39597	0.7
465.23312	0.9
486.81506	0.6
525.29041	69.6
526.29211	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	524.2345
Annotation	Unknow
Peak:m/z	Relative Intensity
55.97265	0.6
59.01381	27.6
61.98832	100.0
69.03448	0.6
71.01385	4.1
72.61742	0.8
72.99313	0.7
73.02960	1.7
79.91955	0.7
82.78510	0.6
83.01399	0.8
85.02966	1.1
87.00870	1.2
88.98826	0.6
89.02448	1.4
93.58320	0.6
99.00882	1.9
101.02469	2.2
111.00906	1.2
113.02462	1.4
119.03511	0.8
119.05039	2.1
119.79005	0.7
120.05363	0.8
122.15395	0.7
125.02473	0.7
131.04976	0.7
147.04611	1.1
148.03949	0.8
148.04977	0.7
163.03937	1.0
167.78322	0.6
211.02480	0.9
280.80637	0.7
285.91919	0.7
311.09375	1.4
312.09375	1.6
312.41882	0.6
348.72336	0.7
353.99707	0.7
374.26660	0.6
375.24054	1.8
391.27237	2.2
392.27350	7.2
406.25488	0.9
417.25461	1.1
418.08789	0.8
435.90933	0.9
450.20273	0.7
524.12964	1.6
524.33173	1.6
529.17615	0.7
530.91907	0.7
532.29639	0.8
547.86603	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.3592
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
64.78986	2.3
66.53212	2.4
70.32163	2.5
70.77192	7.0
74.31815	2.3
129.80629	2.4
130.66582	3.0
139.17670	2.3
155.42058	2.4
188.07916	2.6
472.05380	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	525.161
Annotation	Unknow
Peak:m/z	Relative Intensity
56.16187	0.6
59.01380	4.3
60.08324	0.6
61.98830	19.7
67.01895	0.9
68.30443	0.7
69.34954	6.2
71.01369	2.2
72.99330	0.8
73.02953	0.8
73.43081	0.7
75.00858	1.9
85.02934	0.9
89.02435	1.3
91.01902	1.1
93.03455	1.3
95.01379	0.8
95.82239	0.8
96.96011	1.1
101.02414	1.0
103.45261	0.7
107.01391	0.8
108.02167	21.3
113.02433	1.7
121.02962	7.2
122.03774	4.6
123.00931	1.0
123.04530	16.8
125.02409	1.0
132.32434	0.6
134.03749	1.7
135.02948	1.5
135.04544	0.9
136.01642	4.0
141.17021	0.6
149.02438	15.2
149.06042	0.8
150.03227	42.5
151.00436	1.1
151.04033	9.2
152.01149	47.2
153.01518	2.0
164.04781	3.8
165.05566	49.3
166.02733	1.9
166.05914	1.9
167.03491	100.0
168.03857	3.6
180.04253	4.5
181.05046	2.2
184.50604	0.7
195.06618	29.3
196.06967	1.3
209.04495	5.7
224.05336	0.7
241.05115	1.5
256.07358	7.0
271.09744	2.9
315.08737	18.8
357.09375	1.0
363.10861	32.2
364.11121	2.5
407.13605	4.5
407.18567	1.3
493.10709	0.9
525.15967	12.1
525.28802	1.6
526.16522	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.1985
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96032	0.3
58.38865	0.3
59.01379	1.6
61.98830	100.0
62.98529	0.3
69.03466	0.4
71.01386	0.9
71.56190	0.4
83.37774	0.3
85.02956	0.4
96.96056	0.4
113.02477	0.5
121.02979	0.8
126.91431	0.3
203.01981	0.6
229.48920	0.3
268.92133	0.3
284.33414	0.3
312.09592	0.7
466.75290	0.4
524.33997	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.1986
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	0.3
58.00609	0.2
59.01380	2.5
61.98830	100.0
69.03456	0.4
69.40794	0.5
69.41209	1.3
70.94559	0.3
71.01392	1.4
72.99323	0.3
73.02946	3.4
75.00890	0.5
82.88747	0.2
83.01368	0.3
87.00902	0.3
87.04536	0.4
89.02450	0.6
97.06618	0.3
99.00939	0.2
101.02446	0.7
107.95162	0.2
113.02448	0.6
115.07617	0.3
118.34945	0.2
121.02981	0.4
135.03055	0.6
142.06680	0.2
157.08713	0.6
166.05980	0.3
180.48320	0.2
305.78717	0.3
318.20108	0.3
320.14606	0.2
347.14371	0.3
361.16895	0.3
362.16776	1.7
377.25803	0.3
405.25049	0.8
406.17819	0.3
406.25262	1.7
407.26495	3.1
502.78397	0.2
523.27710	0.7
524.20740	0.7
524.28271	2.5
525.29016	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	524.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.4
57.03451	0.5
58.49517	0.3
59.01377	3.6
61.98830	100.0
69.03458	0.5
69.53966	1.5
69.54392	0.9
71.01395	1.5
73.02942	5.6
75.00876	0.8
79.63625	0.3
81.72791	0.4
85.03006	0.6
87.00896	0.4
87.04529	1.6
89.02443	1.2
95.08789	0.3
97.06636	0.4
101.02460	1.2
101.06104	0.5
109.02976	0.5
109.06540	0.3
113.02486	0.8
115.07701	0.3
119.03537	0.4
121.02996	0.5
122.03732	0.6
135.03035	0.8
147.04535	0.3
157.08698	0.5
165.05606	0.7
166.05986	0.4
173.11797	0.4
195.13789	0.4
201.11328	0.4
225.11389	0.6
226.11810	0.7
303.21869	0.5
333.22977	0.7
361.16559	1.5
362.16876	3.6
377.25702	0.4
389.25345	0.6
405.24976	1.0
406.25424	2.2
407.26462	8.4
407.31351	0.6
450.15793	0.4
451.42798	0.3
497.67200	0.4
523.27509	0.8
524.20844	1.2
524.28204	4.6
525.21857	0.4
525.29065	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	523.2407
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01938	1.4
57.03529	2.2
59.01141	0.8
59.01460	7.9
61.98911	3.4
66.59039	0.6
67.01958	0.8
68.99882	1.5
69.03552	2.2
69.42604	5.4
71.01054	1.2
71.01472	10.5
71.05083	1.6
72.99393	1.8
73.03036	5.3
75.00969	2.7
81.03528	1.1
83.01483	3.6
83.05092	1.1
83.50544	0.6
85.02970	5.0
87.00986	4.1
89.02040	1.2
89.02560	2.8
93.03576	2.6
95.01479	1.9
95.05094	1.0
96.55566	0.7
97.03032	1.5
97.06598	3.5
99.01013	2.7
101.02451	4.0
102.85421	0.7
103.05647	1.0
108.63682	0.8
109.03077	2.3
109.06666	1.3
111.00877	5.1
111.08150	4.3
113.02457	3.7
113.09846	1.2
115.00433	1.2
115.07745	1.0
117.01981	1.1
119.03647	0.9
119.05031	7.6
121.03053	1.1
122.06185	1.1
123.00958	1.2
125.02536	1.5
125.06153	1.5
125.09805	2.0
126.34872	0.8
126.61441	0.6
135.02158	0.7
135.02983	3.3
137.02518	1.6
137.09795	0.7
139.00372	5.6
141.01990	1.3
143.05096	0.8
145.08810	2.0
147.04518	17.5
148.04945	1.9
152.07268	1.4
153.02020	1.1
154.99942	1.2
157.01450	1.5
163.04091	2.2
165.02002	2.6
169.01564	1.1
171.10283	8.5
181.01585	0.8
183.03036	3.3
195.08200	3.5
201.11301	6.1
207.17509	11.0
208.17844	0.8
209.15536	1.5
211.02481	7.8
215.12953	0.9
221.09792	2.6
223.11351	1.4
225.18579	1.8
243.19624	1.3
249.09254	1.9
251.16516	51.4
252.16673	3.9
267.10175	4.0
269.17566	40.5
270.17963	2.8
281.09335	1.4
282.09830	0.8
287.18628	100.0
288.18982	5.9
293.08661	0.8
295.09634	0.6
299.18594	0.7
305.06696	1.6
311.09247	24.3
312.09576	1.5
359.07684	6.6
361.29410	2.8
387.23846	1.6
405.21191	34.6
406.21466	2.4
417.08279	12.7
418.08224	1.8
419.08804	2.1
447.17062	1.8
447.22589	0.8
491.16171	0.7
523.23523	59.9
523.34998	7.3
524.23779	7.4
524.34802	1.2
545.31830	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2396
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33296	1.7
55.01864	3.3
55.26125	1.9
57.03441	4.8
58.00586	3.3
59.01381	79.8
60.99282	2.7
61.98828	44.0
69.03445	3.8
69.71812	6.3
69.72218	3.5
71.01006	3.6
71.01385	59.0
72.97392	1.6
72.99290	4.3
73.02944	30.7
75.00864	6.7
83.01409	9.1
84.46603	1.7
85.02950	23.8
87.00889	6.3
87.04510	4.6
88.98802	23.5
89.02448	22.9
95.01418	4.5
97.02951	2.8
97.06578	3.9
98.89771	1.9
99.00874	7.0
101.02446	37.5
101.06107	1.6
110.58259	1.8
111.00900	2.9
113.02444	19.5
113.99828	1.7
119.03475	3.5
119.05045	5.5
121.02956	4.4
125.02434	4.3
125.09686	4.3
129.01854	2.2
131.03506	20.6
131.71030	1.8
135.02986	3.9
139.00325	2.0
149.04544	6.6
153.09221	2.1
157.08672	3.7
159.02959	2.0
161.04565	15.8
164.77409	1.7
165.05481	2.1
171.10263	19.8
201.11328	19.3
203.12914	2.6
215.12854	3.3
243.15871	3.1
251.16510	3.3
255.02957	4.0
267.05054	1.8
271.02420	8.4
287.18692	9.7
293.08582	2.7
299.18515	3.2
300.02658	18.0
301.03549	3.4
311.09311	6.2
317.19644	29.4
331.17627	27.6
343.15637	6.0
345.22739	2.3
361.16589	7.6
387.23819	6.6
397.83508	2.2
405.25079	39.9
433.07816	18.4
463.21704	100.0
464.21933	11.6
481.26364	4.2
523.12048	4.6
523.27643	97.9
524.28052	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	523.2409
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01926	1.5
57.03508	1.8
59.01447	7.5
61.98594	1.2
61.98904	3.0
68.99519	0.6
68.99866	1.3
69.03530	2.0
69.70769	3.8
71.01462	10.1
71.05079	1.7
72.99387	1.4
73.03030	4.8
75.00957	2.5
83.01479	5.2
83.05100	1.3
85.02957	4.7
85.06650	1.2
85.43694	0.6
87.00883	4.6
89.02546	2.6
93.03463	3.7
93.51366	0.6
95.01445	1.5
96.99377	1.4
97.03049	2.0
97.06585	3.3
98.20589	1.3
99.00873	3.0
101.02467	5.0
103.05667	1.0
107.05137	0.7
109.03006	1.0
109.06640	1.5
111.00868	6.7
111.04539	0.7
111.08152	4.2
112.98902	0.8
113.02428	3.9
113.09815	1.4
115.00443	1.2
117.02042	1.0
119.03576	1.0
119.05028	6.3
121.03009	1.3
122.06213	1.4
125.02522	2.8
125.06118	1.0
125.09811	1.9
127.00449	1.0
129.02036	1.2
131.05185	0.6
135.02950	3.0
136.44063	0.7
137.02536	2.3
137.09802	0.6
139.00362	5.6
139.11313	0.9
141.02025	1.8
143.05096	1.1
145.08723	4.0
147.04523	21.9
148.04929	2.1
148.27641	0.6
152.07214	1.5
153.02042	1.5
157.01524	1.0
163.03967	3.2
165.01907	3.9
166.99907	1.2
169.01480	1.3
171.10254	7.5
179.40697	0.6
181.01540	0.8
183.02992	4.1
183.17592	0.8
193.01535	0.7
195.08250	1.9
198.51573	0.7
200.24786	0.7
201.11343	5.3
207.17513	10.4
209.15477	1.3
211.02464	8.8
215.12920	0.8
221.09729	3.4
223.11281	1.4
225.18613	1.8
241.14482	0.9
243.19643	1.6
249.09215	2.4
251.16512	55.4
252.16913	2.9
255.16075	0.8
267.10251	4.2
269.17560	40.3
270.18018	2.0
282.09808	1.1
287.18628	100.0
288.19009	6.0
293.08218	1.1
294.09680	1.2
301.19998	1.2
305.06427	1.9
311.09216	25.0
312.09503	1.6
359.07718	6.3
361.29544	2.1
375.27170	0.7
387.23578	1.9
405.21188	31.7
406.21414	2.6
417.02917	1.0
417.08231	16.4
418.08682	0.9
419.08609	2.3
435.09085	1.0
447.17307	2.2
523.23596	64.2
523.34375	6.9
524.24115	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	523.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98169	2.3
55.01883	5.4
57.03453	4.2
58.00634	2.6
59.01375	47.3
60.64679	1.9
61.98819	4.7
63.41107	1.9
69.03453	2.9
70.16913	1.8
71.01384	73.2
71.01778	4.1
72.99307	2.5
73.02945	28.7
83.01390	10.1
85.02958	30.9
87.00880	4.4
89.02440	12.1
95.01389	5.6
97.02945	2.9
99.00882	12.9
101.02441	47.0
113.02452	27.2
119.05042	19.2
125.02468	3.9
125.09730	3.0
129.01927	3.2
139.00351	2.5
143.03531	5.2
159.02995	6.1
161.04555	43.3
163.04051	5.6
171.10265	9.2
194.10352	2.1
199.01788	2.1
201.11310	4.8
215.12950	2.5
221.09709	3.4
287.18637	5.6
299.18594	2.5
307.43079	2.0
311.09277	19.5
312.09814	2.4
314.91779	2.2
316.25998	2.0
317.19696	54.3
331.17590	100.0
332.18008	6.8
341.87924	2.0
387.23987	2.7
391.27151	3.1
405.25058	24.4
406.25555	2.4
463.21835	97.5
464.22192	8.3
523.12872	9.7
523.27582	58.5
524.27881	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	523.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	2.3
57.03446	2.2
57.06819	1.4
59.01381	27.8
61.98831	85.1
66.44651	1.5
69.03458	3.3
71.01386	23.4
71.54724	1.7
71.55099	2.0
72.99303	6.5
73.02942	11.3
74.99064	3.0
75.00875	3.2
83.01389	3.8
85.02953	13.5
87.00881	4.8
88.98796	7.3
89.02460	7.8
96.96032	1.6
97.02941	2.4
99.00876	3.2
99.04505	2.0
101.02449	19.4
101.19727	1.5
108.02174	2.7
111.00861	2.5
113.02473	9.9
115.07642	2.4
118.98165	2.0
120.99609	2.2
121.02932	5.3
121.06561	2.8
122.03783	1.7
123.04524	4.4
123.08155	5.4
135.03027	3.8
136.01637	3.1
138.05649	1.7
139.07642	1.9
141.05547	2.3
141.09134	1.7
143.03447	2.0
146.69078	1.5
148.04002	3.5
149.02406	4.7
150.03258	10.2
151.03947	5.3
151.07634	6.3
152.01134	4.3
161.04564	5.3
165.05577	10.4
167.03593	9.8
169.01396	6.2
169.08664	4.6
175.02458	2.5
177.63568	1.8
181.04904	2.3
184.03780	4.0
185.00821	1.6
192.02931	2.1
195.06628	4.3
199.06055	5.2
213.05708	2.2
237.05586	2.2
241.05128	12.4
253.08693	3.8
256.07434	10.2
268.07370	2.0
271.09772	21.7
283.09766	2.7
301.16541	44.5
315.08719	8.5
329.11353	2.7
343.08417	2.7
361.09280	3.7
363.10583	2.4
405.17224	2.3
420.88239	1.6
463.21832	100.0
464.21857	9.0
491.13373	2.9
523.14697	4.8
523.20203	5.2
523.27771	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49166	1.7
59.01382	52.3
59.77226	1.5
69.22810	2.3
69.23006	5.0
69.23406	10.5
71.01379	32.0
72.01682	1.9
73.02959	12.0
75.00856	2.5
78.00191	1.9
80.68771	1.8
83.01394	2.1
85.02934	9.9
89.02444	20.6
95.05029	2.1
98.19927	3.1
101.02444	17.3
102.89605	1.8
113.02434	10.7
114.31344	2.2
119.03490	6.3
135.03008	2.1
136.62123	1.7
139.07330	2.0
140.01143	1.9
140.65025	1.7
144.34537	1.8
161.04549	4.0
163.11249	4.1
171.10313	2.5
179.10742	2.3
181.12340	45.3
182.12701	2.3
201.11227	2.6
225.11317	100.0
226.11734	3.4
243.12601	2.3
285.51624	1.9
331.17535	5.9
343.13995	6.5
361.15576	2.2
387.23413	2.3
405.17508	53.0
405.24963	7.5
406.17877	3.1
406.25562	2.0
450.60938	1.8
463.21252	19.4
481.26523	5.4
523.20294	94.5
523.27710	21.6
524.20691	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	523.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60613	2.1
55.01885	3.0
58.00590	3.1
59.01381	80.8
61.98831	28.4
65.09686	1.9
69.03452	3.5
69.55589	6.8
69.55994	7.0
71.01003	4.1
71.01383	68.8
72.99313	4.9
73.02952	10.2
75.14956	1.9
81.15250	1.8
85.02949	11.6
87.00881	9.3
89.02445	85.3
95.01393	3.3
97.02942	7.3
99.00853	3.1
101.02444	24.7
111.00864	3.9
113.02457	11.2
119.03513	5.1
119.04995	5.8
125.02445	15.2
127.00300	1.9
131.03502	22.6
139.00296	2.6
147.04466	3.9
149.04565	41.9
169.12340	100.0
170.12689	3.3
191.05594	6.8
211.02467	5.4
233.06657	4.4
249.09207	2.6
267.10178	2.3
293.08783	42.3
295.09610	4.5
311.09259	9.5
463.21906	4.2
523.26550	2.9
523.33807	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	523.1742
Annotation	Unknow
Peak:m/z	Relative Intensity
55.58778	29.7
59.01372	41.2
60.15312	30.3
61.98824	100.0
64.91718	31.5
65.05207	27.0
71.24096	39.5
71.24455	41.7
74.73483	28.3
78.27206	32.3
108.11305	41.9
111.29622	36.1
142.59677	31.2
163.76950	30.9
241.07037	39.4
256.84079	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	523.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68250	1.0
59.01380	40.4
61.98534	1.8
61.98834	33.3
64.16310	1.3
71.01380	9.1
71.54633	1.2
73.02936	3.8
75.00895	2.5
83.01376	1.8
85.02969	2.1
87.00878	1.7
88.98817	1.2
89.02457	5.7
95.01383	1.2
101.02427	7.0
113.02460	3.8
116.92883	1.0
118.99397	1.1
119.03637	1.8
119.05023	45.2
120.05309	1.3
121.02954	2.6
123.04572	1.3
129.09091	1.0
131.18166	1.0
136.01695	1.4
139.98315	1.0
145.02927	7.0
146.81548	1.1
149.02448	25.8
150.03116	1.3
151.03961	3.5
153.01872	1.1
161.04568	2.4
163.04008	77.1
164.04782	51.0
165.05286	1.3
167.03523	2.0
175.02428	1.2
179.07130	100.0
180.07475	3.4
195.06633	2.8
209.06085	1.7
227.09247	38.8
228.09589	2.4
237.05429	2.4
241.05099	3.8
252.07980	1.1
253.05219	2.5
253.08484	1.0
256.07428	1.9
268.07367	2.3
270.85760	1.2
271.09647	6.3
283.09641	3.7
284.19272	1.1
301.16669	1.6
325.09299	25.4
326.09619	1.8
340.89334	1.1
377.93546	1.3
443.69513	1.4
463.18155	4.4
465.09366	1.2
523.12000	1.7
523.19745	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03425	1.6
57.62751	1.4
59.01379	46.0
61.98825	12.7
69.03459	1.8
71.01382	28.4
71.55196	2.0
71.55571	1.5
72.99327	4.6
73.02944	12.0
74.99093	1.5
75.00865	7.6
77.01757	1.6
82.06886	1.3
85.02957	5.7
85.07276	1.2
87.00883	3.2
87.04536	1.5
89.02448	21.6
95.01393	2.5
101.02445	10.2
108.26115	1.5
113.02442	9.1
119.03496	6.4
123.04572	1.7
129.05531	1.4
135.02983	13.1
139.07710	1.9
145.15598	1.4
149.02477	1.8
150.03191	3.1
157.08754	1.7
163.03976	1.8
163.11327	5.2
165.05638	2.6
167.03514	3.8
181.05066	2.4
181.12344	39.7
195.06647	2.4
201.11423	2.1
207.10255	1.9
225.11310	100.0
226.11703	4.0
243.12335	2.4
311.10519	3.4
315.08762	2.3
343.14206	2.8
348.12540	1.5
387.23898	3.0
405.17624	73.5
405.25208	9.7
406.18100	5.6
427.64261	1.6
463.21277	3.5
491.13013	5.0
505.48859	1.7
523.20514	58.3
523.27881	13.7
524.20850	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	522.2472
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	6.7
61.98811	4.1
71.01402	1.8
71.55567	1.0
71.55936	1.2
78.95908	9.1
81.13651	0.9
83.05027	1.6
89.02430	1.0
101.02471	0.8
103.69468	0.8
104.84433	0.9
113.02364	1.3
121.02940	6.6
122.03734	2.8
129.88333	0.8
136.05249	1.0
140.01187	3.8
147.04585	1.2
155.74557	0.9
164.08411	1.0
167.14377	5.9
168.04349	1.3
193.15984	3.6
196.03798	1.5
207.17537	2.5
214.04880	3.7
231.17522	1.5
249.18564	30.3
250.19012	2.0
275.16492	20.6
281.21265	5.1
293.17587	59.2
294.17917	3.8
295.09540	0.9
307.19168	2.1
315.99899	0.9
325.20181	100.0
326.20456	6.1
456.99429	1.1
496.94485	1.0
522.24652	22.4
523.25299	3.2
534.70685	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.3797
Annotation	Unknow
Peak:m/z	Relative Intensity
56.76586	1.4
61.98833	100.0
71.16681	1.5
71.17030	1.9
84.18810	1.3
103.97752	1.3
165.13785	1.3
222.27148	1.3
285.37497	1.6
317.07162	1.5
444.06238	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.0728
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	2.3
57.03430	5.0
57.81283	1.1
58.00569	2.0
59.01379	66.6
60.99294	5.1
61.98831	35.9
69.03448	2.8
71.01384	39.0
71.01775	2.2
71.05006	1.6
71.55865	2.1
72.99337	2.9
73.02946	32.6
75.00896	6.1
77.42979	1.1
83.01379	4.1
85.02950	16.2
87.00870	5.4
87.04510	4.8
88.98810	41.2
89.02435	13.4
89.92767	1.0
91.41544	1.1
95.01379	3.7
97.02956	2.5
97.06583	4.9
99.00895	6.6
99.04504	2.0
101.02443	22.8
109.06546	1.2
113.02454	14.8
119.03530	2.9
119.05019	6.0
121.02926	3.5
123.00871	1.5
123.08078	1.7
125.02441	2.7
125.09725	4.3
127.07655	1.4
131.03511	20.2
135.02998	4.3
135.04546	1.9
138.06854	1.3
139.07661	2.3
139.11288	1.9
139.33867	1.1
141.09239	1.5
145.02878	1.4
146.03763	1.3
147.04480	1.4
151.00415	2.0
155.10678	1.9
157.08644	4.5
157.49088	1.1
159.02959	1.7
161.04564	12.2
163.03972	2.9
169.12425	1.6
171.10243	12.8
177.82721	1.1
179.07188	1.4
185.11771	2.2
187.13385	1.6
201.11333	17.1
205.23306	1.1
207.13986	1.8
215.12845	4.5
216.29482	1.3
224.74014	1.2
233.20921	1.3
235.51068	1.4
243.02998	2.5
243.16238	1.4
255.02963	3.8
271.02457	8.3
285.16974	1.3
287.18622	8.1
300.02756	26.6
301.03308	7.0
311.09222	4.9
317.19687	33.8
318.20117	1.5
331.17609	31.1
343.15475	3.4
387.23727	4.3
404.23648	2.6
405.25024	34.8
433.07733	31.0
434.07825	3.3
457.73288	1.2
463.21671	11.2
463.26324	5.1
479.24579	2.5
480.25153	1.6
481.26724	9.7
505.27054	2.2
521.26978	1.2
522.26801	4.7
523.12500	3.0
523.27576	100.0
524.27802	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.1099
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.8
57.03457	1.6
58.00597	0.8
59.00920	0.7
59.01381	17.2
60.99313	1.3
61.98831	100.0
69.03465	2.9
70.20129	2.0
71.01384	11.1
72.99316	1.3
73.02952	7.1
75.00882	2.0
83.01411	2.2
85.02957	4.9
87.00903	1.5
87.04536	1.7
88.98799	7.7
89.02448	4.9
95.01422	0.7
97.02959	0.8
97.06625	0.9
99.00891	2.1
99.04518	0.8
101.02440	6.5
101.06142	0.6
101.33913	0.5
109.06618	0.6
111.00908	0.9
113.02438	4.1
113.06125	0.5
116.28841	0.6
117.01963	0.7
119.03547	1.3
119.05061	1.0
121.02976	1.6
123.08146	0.6
125.02507	0.9
125.09737	1.5
129.05666	0.5
131.03497	3.4
131.62125	0.5
134.03809	0.7
135.03033	1.4
135.04509	1.0
136.04942	0.5
149.04547	0.6
151.00438	0.8
157.08786	1.4
159.03017	0.9
161.04597	3.9
163.03995	0.9
171.08960	0.4
171.10213	2.7
176.24606	0.5
185.00925	1.0
185.11781	0.8
193.05092	1.1
194.05446	1.2
201.11372	3.2
205.12341	0.7
215.12811	2.5
255.03044	0.9
269.17770	0.5
271.02493	2.0
287.18823	0.9
300.02750	5.3
301.03592	1.7
311.09430	1.2
315.18127	1.1
316.18573	0.7
317.19745	5.2
326.96353	0.6
331.17551	5.4
343.15698	0.8
343.43967	0.6
387.24130	1.1
403.23535	3.9
404.23737	3.6
405.24997	6.6
433.07736	6.8
461.23853	0.9
462.24545	1.1
463.21146	5.3
479.24805	1.2
480.25653	2.1
481.26733	1.3
521.25897	3.9
522.19965	1.0
522.26465	9.6
523.13110	0.8
523.27637	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	522.2193
Annotation	Unknow
Peak:m/z	Relative Intensity
57.80420	0.5
59.01381	39.8
61.98831	100.0
69.03458	2.1
69.27706	4.5
71.01380	5.1
73.02948	3.3
83.01418	0.8
85.02961	2.3
86.86707	0.5
89.02454	1.7
92.11548	0.5
95.01414	0.7
97.02991	0.7
99.00901	1.3
101.02428	2.9
113.02467	1.9
119.05019	4.5
121.02912	0.5
125.68041	0.5
141.01976	0.5
147.04581	0.6
161.04590	1.3
163.04024	1.4
169.01474	0.8
171.10367	1.8
189.85013	0.7
215.12863	0.7
221.09683	0.6
221.34323	0.5
267.10287	1.2
287.18622	0.8
311.09207	5.5
317.19739	7.4
317.23267	0.7
331.17810	1.6
339.65515	0.5
373.22562	2.3
404.23929	1.6
405.25061	2.3
410.10394	0.5
415.23712	1.1
463.22153	1.7
479.13922	0.5
522.27301	2.3
523.12494	3.6
523.27563	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	522.219
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53208	0.5
56.10500	0.7
57.76545	0.6
59.01378	22.3
61.98830	100.0
67.09163	0.6
69.48294	2.7
69.48719	1.8
71.01386	1.7
73.02951	1.2
78.30560	0.6
85.02960	0.6
94.05604	0.6
98.20708	1.0
101.02460	1.2
113.02475	0.6
119.05037	0.7
169.01672	0.6
172.17928	0.6
190.49445	0.6
203.78891	0.7
215.19569	0.6
253.76112	0.6
317.19699	1.3
373.22382	2.5
523.28680	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.1099
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.8
57.03457	1.6
58.00597	0.8
59.00920	0.7
59.01381	17.2
60.99313	1.3
61.98831	100.0
69.03465	2.9
70.20129	2.0
71.01384	11.1
72.99316	1.3
73.02952	7.1
75.00882	2.0
83.01411	2.2
85.02957	4.9
87.00903	1.5
87.04536	1.7
88.98799	7.7
89.02448	4.9
95.01422	0.7
97.02959	0.8
97.06625	0.9
99.00891	2.1
99.04518	0.8
101.02440	6.5
101.06142	0.6
101.33913	0.5
109.06618	0.6
111.00908	0.9
113.02438	4.1
113.06125	0.5
116.28841	0.6
117.01963	0.7
119.03547	1.3
119.05061	1.0
121.02976	1.6
123.08146	0.6
125.02507	0.9
125.09737	1.5
129.05666	0.5
131.03497	3.4
131.62125	0.5
134.03809	0.7
135.03033	1.4
135.04509	1.0
136.04942	0.5
149.04547	0.6
151.00438	0.8
157.08786	1.4
159.03017	0.9
161.04597	3.9
163.03995	0.9
171.08960	0.4
171.10213	2.7
176.24606	0.5
185.00925	1.0
185.11781	0.8
193.05092	1.1
194.05446	1.2
201.11372	3.2
205.12341	0.7
215.12811	2.5
255.03044	0.9
269.17770	0.5
271.02493	2.0
287.18823	0.9
300.02750	5.3
301.03592	1.7
311.09430	1.2
315.18127	1.1
316.18573	0.7
317.19745	5.2
326.96353	0.6
331.17551	5.4
343.15698	0.8
343.43967	0.6
387.24130	1.1
403.23535	3.9
404.23737	3.6
405.24997	6.6
433.07736	6.8
461.23853	0.9
462.24545	1.1
463.21146	5.3
479.24805	1.2
480.25653	2.1
481.26733	1.3
521.25897	3.9
522.19965	1.0
522.26465	9.6
523.13110	0.8
523.27637	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	521.2605
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29147	1.5
58.96462	1.6
59.01119	1.5
59.01384	23.8
61.98817	5.2
69.03439	1.3
69.23270	12.6
69.23670	2.4
71.01379	18.7
71.05013	2.4
73.02556	1.7
73.02949	24.8
75.00871	3.3
82.63525	1.4
85.02947	3.2
86.26529	1.2
87.04532	2.6
88.98795	1.4
89.02435	14.7
94.90034	1.4
97.06584	1.6
98.20621	2.1
101.02431	6.6
101.06065	3.2
113.02434	4.2
113.06093	1.6
115.03985	4.1
117.01911	2.2
119.03468	5.3
123.08154	3.1
125.06034	1.8
125.09706	13.8
127.07605	3.0
129.09267	3.1
135.02928	1.8
139.11206	2.3
141.09218	2.5
153.09189	2.9
155.10794	3.2
171.10278	18.5
179.05513	1.9
179.14397	2.7
179.56921	1.3
197.11726	1.9
201.11343	11.5
213.11302	3.0
215.12872	62.7
216.13191	1.6
223.13359	2.5
241.14449	26.6
261.14899	5.4
279.15866	4.9
283.09827	3.9
285.17090	3.0
297.17029	8.3
311.09213	8.2
315.18149	49.7
316.18405	3.1
326.11646	4.6
341.13739	8.6
343.21381	1.6
361.18756	9.5
385.22101	2.9
403.23346	26.4
404.23511	3.6
433.20816	3.0
478.19672	4.3
514.15430	1.5
521.26025	100.0
522.25983	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	521.3328
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.8
57.03442	1.2
57.88145	0.3
58.00582	0.5
59.01381	17.2
61.98831	11.3
69.03442	0.6
70.85738	0.6
71.01003	0.6
71.01381	9.9
72.99305	1.0
73.02962	1.8
73.72878	0.3
75.00880	0.4
81.03487	0.3
83.01404	1.7
85.02954	4.4
87.00870	1.5
89.02444	4.3
95.01405	1.1
97.02956	0.6
99.00880	1.5
101.02447	6.2
105.21254	0.4
111.00846	0.7
113.02450	3.1
119.03505	1.0
124.19579	0.4
125.02471	0.6
127.00358	0.8
129.01855	0.4
139.00398	0.4
142.43036	0.3
147.04466	0.7
154.99857	0.5
157.01447	0.4
161.04599	0.6
187.49565	0.3
191.19516	0.3
205.10295	0.6
207.11757	0.5
248.44518	0.3
251.10822	0.6
287.04218	1.9
295.09814	0.7
296.10040	1.5
313.23737	2.8
315.19708	0.4
341.26874	3.3
359.28018	20.1
360.28384	1.0
372.73697	0.4
425.40561	0.3
429.25262	0.4
461.31183	1.5
479.32251	0.8
503.32428	1.3
521.33301	100.0
522.33630	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	521.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.2
55.76419	0.7
56.60871	0.7
57.03438	1.7
58.00600	0.8
59.01380	21.2
61.98830	6.7
64.38821	0.6
64.46974	0.7
69.03449	1.4
69.63155	1.2
69.63564	2.9
71.01379	12.0
71.05035	0.8
72.97519	0.7
72.99311	1.7
73.02946	8.5
74.99081	0.8
75.00881	2.1
81.03458	1.7
83.01389	2.0
83.05011	2.5
85.02959	6.0
86.69183	0.6
87.00874	2.2
87.04497	3.1
88.98798	1.2
89.02452	4.7
89.22543	0.6
93.03458	2.0
95.01370	1.2
95.05016	3.0
97.02929	3.2
97.06580	1.2
98.20697	0.7
99.00865	1.4
99.04523	4.7
101.02447	8.0
106.95026	0.6
107.05033	1.4
109.02951	1.6
111.00922	1.0
111.04537	3.1
113.02455	4.1
113.06107	5.3
113.45212	0.6
115.04010	3.1
119.03487	1.9
121.06618	4.3
122.03751	1.6
123.04523	1.2
123.08145	1.0
125.02439	2.7
125.06091	2.3
127.00342	1.7
127.04021	5.8
135.02982	2.1
135.04544	0.8
137.06076	1.8
139.07608	2.1
141.05533	0.9
141.09262	0.9
143.03485	1.5
145.05037	1.1
147.08150	1.2
149.06082	6.5
151.07593	0.9
155.03474	0.6
161.04608	1.5
161.05952	0.7
163.07675	2.2
165.05531	0.8
165.09196	2.8
167.07155	4.6
179.05548	1.1
179.07108	0.9
179.10609	0.7
183.10223	1.1
185.08255	0.7
187.07762	0.8
191.07181	0.8
199.97125	0.8
203.10791	1.4
205.08633	1.9
208.52954	0.7
217.12469	0.7
221.06613	0.8
223.09779	1.8
241.10840	1.5
243.07770	1.4
253.14438	6.6
261.11316	1.5
281.14008	3.8
299.11746	1.1
299.14941	19.2
300.15396	1.3
317.16034	100.0
318.16431	5.1
328.75208	0.7
359.17050	2.9
360.17789	0.9
413.17932	0.8
443.19373	1.2
461.20322	27.9
462.20737	2.5
479.21292	46.3
480.21573	4.8
521.22369	36.1
522.22827	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	521.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	2.5
57.03451	2.0
58.00600	3.1
59.01379	100.0
59.75920	1.4
61.98836	2.3
69.03458	3.1
69.35812	1.2
69.40356	7.6
69.40778	2.9
69.80643	1.3
71.01382	49.6
72.99310	4.8
73.02942	5.7
74.23621	1.2
75.00866	9.9
78.56087	1.2
83.01378	3.1
85.02946	11.6
87.00858	3.9
89.02444	58.4
89.03011	2.8
95.01418	3.1
97.02956	2.4
99.00885	1.5
99.04526	2.2
101.02440	29.2
103.54723	1.3
111.04443	1.4
113.02455	19.6
117.01933	1.5
118.81484	1.3
119.03495	23.7
120.03879	1.3
122.24699	1.5
131.03503	4.6
135.03000	36.8
135.11766	2.5
136.03300	1.4
143.03503	5.2
149.04613	1.6
149.06088	2.4
149.09521	1.2
159.08105	1.4
161.04584	4.7
161.09770	1.4
179.05598	14.9
179.10733	12.2
193.08731	5.0
205.08687	6.8
223.09779	18.1
223.13380	4.2
257.04562	2.8
268.04089	1.5
285.04074	4.4
286.04556	1.3
314.04404	3.4
322.21088	1.4
329.13879	1.7
341.12274	2.5
359.08820	4.5
359.15060	2.1
373.22729	1.4
403.16019	4.8
403.23477	4.2
408.76898	1.3
461.20245	82.1
462.20798	6.7
477.10657	3.4
521.10181	3.0
521.19031	40.0
521.25854	7.3
522.19427	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17933	1.2
58.00568	2.0
59.01379	100.0
61.28037	1.3
65.47627	1.2
69.03465	2.8
69.10961	1.3
69.40671	2.2
69.41079	7.9
71.01005	2.9
71.01383	49.7
72.99313	4.9
73.02950	5.6
75.00880	8.1
83.01400	2.8
85.02962	10.9
87.00874	5.3
89.02441	52.7
95.01403	3.7
98.19918	2.3
99.00882	2.1
99.04542	1.2
101.02444	25.9
109.06577	1.6
111.24154	1.4
113.02455	18.6
116.45548	1.3
119.03497	24.0
131.03539	2.7
135.02995	21.0
139.23242	1.4
143.03514	4.0
147.03287	1.5
149.04573	2.5
161.04567	4.7
175.07703	1.4
179.05606	13.8
179.10773	10.7
182.41931	1.5
192.91637	1.4
193.08693	2.9
205.08670	5.5
223.09738	10.6
223.13416	1.5
243.07805	1.7
257.04465	1.8
259.61172	1.3
285.04028	4.3
314.04294	3.3
359.08865	5.0
359.14615	2.0
389.21579	1.7
403.16141	4.2
403.23581	4.4
461.20258	91.1
462.20514	8.6
477.10324	5.4
479.24753	2.8
521.09778	2.5
521.19110	25.8
521.26099	8.7
522.19507	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	521.2028
Annotation	Lariciresinol-9-O-beta-D-glucoside
Peak:m/z	Relative Intensity
50.57693	0.6
53.36464	0.6
55.01867	2.1
56.73723	0.7
57.03442	1.1
58.00581	1.5
59.01382	37.3
61.98828	0.8
66.21377	0.6
69.03440	1.2
69.52940	4.2
71.01383	25.0
72.99296	2.7
73.02947	6.9
75.00855	1.0
83.01375	3.0
84.74409	0.6
85.02960	10.9
87.00865	2.8
89.01926	1.0
89.02444	14.3
95.01379	2.5
99.00880	2.2
101.02438	16.2
108.02158	0.7
109.02962	8.8
110.24442	0.6
113.02444	6.8
119.03496	5.1
123.04530	1.6
131.03519	0.8
134.03712	1.2
135.02997	1.5
150.03204	1.1
158.22632	0.7
159.04477	2.8
161.04497	1.5
165.05531	1.6
172.05255	1.7
173.06076	4.7
179.10692	1.6
187.07605	1.5
189.05536	2.4
190.06361	0.7
191.07158	1.0
193.05042	1.7
195.06621	1.0
203.07060	1.2
205.08751	0.7
213.05363	0.9
217.08748	0.9
223.09702	0.9
240.04059	1.0
241.05006	5.1
252.28441	0.8
253.04987	1.0
255.06604	2.8
262.96814	0.7
265.08862	0.8
267.06427	1.6
269.08038	1.4
280.07394	0.8
281.08102	2.0
283.09836	1.2
295.09695	2.4
296.10410	1.3
299.09238	5.3
311.09332	4.4
313.10779	5.8
314.11029	1.0
326.11475	3.6
329.10278	2.1
341.10300	1.2
341.13870	4.8
343.11575	1.0
344.12619	20.3
345.13058	2.8
359.15002	63.2
360.15271	4.9
403.23685	5.6
461.23779	1.5
479.25140	1.0
521.20129	100.0
522.20435	11.2
522.27374	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90979	2.3
57.03449	2.8
59.01380	100.0
60.24379	1.9
61.98524	3.2
61.98825	36.0
63.80322	1.9
67.80182	1.9
69.03447	3.8
71.01008	3.2
71.01383	53.8
71.55643	4.2
72.99292	5.0
73.02946	29.3
74.02480	12.1
75.00848	2.5
85.02937	9.8
87.00861	5.1
87.04509	3.4
89.02447	65.6
95.01382	4.2
95.04997	3.0
97.06570	5.8
99.04488	3.5
101.02438	25.6
101.06081	2.7
113.02462	23.2
119.03512	25.8
122.21175	2.2
125.09681	8.5
134.03754	2.9
134.80151	2.1
135.04488	3.3
139.07703	2.0
141.09236	2.6
142.12875	2.4
157.08743	2.4
161.04533	4.7
165.05579	2.2
171.10271	14.6
179.05676	10.2
179.14368	3.1
185.11783	3.7
201.11322	11.5
213.11253	3.0
215.12863	46.5
223.05998	2.3
241.14444	21.8
255.10187	3.5
261.14905	6.6
266.05743	3.5
267.16089	3.0
279.15973	4.3
283.09732	16.2
285.17032	4.9
295.09647	2.3
297.16937	6.4
311.09250	41.8
315.18124	40.2
326.11615	26.3
329.67590	2.2
341.13931	43.9
342.14252	4.1
361.18701	3.4
385.22012	2.5
389.25519	3.1
403.18600	2.9
403.23303	39.2
404.23618	3.3
404.87726	2.2
433.20911	3.2
461.24124	2.7
503.25467	4.2
521.26208	94.9
522.26410	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57693	0.6
53.36464	0.6
55.01867	2.1
56.73723	0.7
57.03442	1.1
58.00581	1.5
59.01382	37.3
61.98828	0.8
66.21377	0.6
69.03440	1.2
69.52940	4.2
71.01383	25.0
72.99296	2.7
73.02947	6.9
75.00855	1.0
83.01375	3.0
84.74409	0.6
85.02960	10.9
87.00865	2.8
89.01926	1.0
89.02444	14.3
95.01379	2.5
99.00880	2.2
101.02438	16.2
108.02158	0.7
109.02962	8.8
110.24442	0.6
113.02444	6.8
119.03496	5.1
123.04530	1.6
131.03519	0.8
134.03712	1.2
135.02997	1.5
150.03204	1.1
158.22632	0.7
159.04477	2.8
161.04497	1.5
165.05531	1.6
172.05255	1.7
173.06076	4.7
179.10692	1.6
187.07605	1.5
189.05536	2.4
190.06361	0.7
191.07158	1.0
193.05042	1.7
195.06621	1.0
203.07060	1.2
205.08751	0.7
213.05363	0.9
217.08748	0.9
223.09702	0.9
240.04059	1.0
241.05006	5.1
252.28441	0.8
253.04987	1.0
255.06604	2.8
262.96814	0.7
265.08862	0.8
267.06427	1.6
269.08038	1.4
280.07394	0.8
281.08102	2.0
283.09836	1.2
295.09695	2.4
296.10410	1.3
299.09238	5.3
311.09332	4.4
313.10779	5.8
314.11029	1.0
326.11475	3.6
329.10278	2.1
341.10300	1.2
341.13870	4.8
343.11575	1.0
344.12619	20.3
345.13058	2.8
359.15002	63.2
360.15271	4.9
403.23685	5.6
461.23779	1.5
479.25140	1.0
521.20129	100.0
522.20435	11.2
522.27374	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38852	0.9
51.30151	1.0
53.39215	0.9
57.03445	1.6
58.00586	2.0
59.01378	54.9
61.98821	2.9
69.03452	1.3
69.20998	1.2
69.21616	8.5
69.21835	1.6
71.01381	29.7
72.99300	4.4
73.02940	4.0
75.00871	19.9
75.98165	1.2
85.02946	7.9
87.00876	2.2
89.02446	34.8
95.01392	3.9
99.00822	1.6
99.04526	3.2
101.02434	16.9
113.02448	10.7
114.66188	1.1
115.07668	1.4
117.01971	2.4
119.03495	12.7
128.97285	0.9
131.03493	1.5
133.10216	1.4
135.03000	72.5
135.11774	3.5
143.03447	2.4
149.04527	1.5
161.04559	4.2
161.05904	1.1
161.09749	1.3
165.05550	1.1
178.02695	1.2
179.05612	9.5
179.10771	35.2
180.11107	2.5
193.05031	1.1
223.09756	33.3
223.13217	2.0
257.04562	1.5
285.04163	2.1
314.04297	2.1
341.12613	5.2
359.08838	3.4
359.13275	1.5
359.17410	1.2
403.15875	13.6
403.23923	5.1
461.23734	1.3
477.10690	2.1
479.24753	3.3
503.19000	1.2
521.18732	100.0
521.25824	9.4
522.18872	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1878
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46387	2.1
55.01873	2.6
57.03450	3.9
58.00587	2.9
58.91569	2.1
59.01382	100.0
59.28879	2.0
61.98830	31.7
69.03458	3.5
71.01382	47.4
71.31236	3.1
72.99306	7.9
73.02951	16.2
75.00878	40.1
83.01397	4.1
85.02938	15.2
87.00874	8.9
87.04554	3.0
88.98815	4.0
89.02436	48.7
95.01424	2.5
99.00877	3.6
99.04549	5.3
101.02440	35.5
107.05022	3.0
109.06564	2.6
111.00828	2.4
113.02444	20.2
115.03961	2.3
119.03489	19.0
121.02962	3.8
125.02388	2.9
125.06126	2.0
131.03500	4.1
134.03740	5.9
135.02998	81.7
135.04556	6.0
135.11816	3.5
143.03482	2.8
149.02443	4.1
149.04489	2.9
150.03235	5.7
161.04491	4.2
161.09689	5.9
165.05554	7.1
179.05606	9.4
179.10789	62.7
180.11143	4.1
193.05103	10.8
197.11832	4.3
223.09760	83.1
224.10048	4.3
241.10765	9.4
243.79514	2.2
277.91965	2.1
287.09451	2.6
297.12311	3.6
299.82440	2.4
334.02612	2.4
336.67630	2.5
341.12311	6.6
355.12973	3.3
359.13403	6.9
389.21933	4.2
403.16064	87.9
403.23309	8.4
404.16290	5.1
418.96338	2.2
419.19958	2.1
431.14603	10.2
461.24277	4.7
479.25192	4.9
521.18683	66.9
521.26129	34.6
522.18689	7.1
522.26569	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.187
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03921	1.8
55.63590	1.7
59.01382	67.5
59.89466	1.7
62.64392	2.0
65.70179	1.6
71.01384	38.2
72.99308	3.7
73.02936	7.0
75.00874	10.9
85.02955	9.0
87.00871	3.3
89.02444	34.3
95.81762	1.7
98.19718	2.1
99.04510	5.1
101.02441	19.7
101.57342	1.9
109.02911	2.9
113.02464	14.3
118.44989	1.8
119.03484	11.7
119.47078	2.1
124.05265	2.4
133.10297	2.1
135.03011	21.8
135.11824	8.5
143.03423	2.3
159.11710	1.7
160.05202	2.5
161.09686	5.9
175.07629	2.5
179.05583	3.3
179.10774	72.8
180.11044	3.6
223.09756	100.0
224.10011	4.2
272.72894	2.0
313.10822	2.7
315.18112	2.9
329.14096	9.8
341.12344	12.0
344.12607	7.1
359.15036	18.0
403.16080	65.2
403.23389	10.9
404.16541	6.0
461.23761	2.7
521.19061	94.8
521.26215	10.5
522.19440	12.0
541.94720	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1067
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32468	1.6
55.01896	3.5
57.47773	1.6
59.01371	6.9
61.98800	2.1
63.75443	1.7
68.99811	3.7
69.03448	4.8
71.01381	13.7
72.99296	4.0
73.02949	3.7
83.01387	9.3
83.05002	2.3
85.02950	6.0
87.00886	12.3
89.02435	2.4
93.03436	3.5
94.81383	2.0
95.01378	4.0
97.02925	4.1
99.00884	7.8
101.02462	3.0
103.05557	6.4
109.02942	6.7
111.00887	21.8
113.02450	6.6
115.00374	4.2
121.02937	2.9
123.00929	2.7
125.02409	4.3
127.00373	3.2
128.00586	1.9
129.01958	3.4
135.00940	1.9
137.02473	5.7
139.00342	6.1
139.04016	2.4
140.29457	1.7
141.01894	4.0
147.04524	100.0
148.04852	3.3
151.99004	1.6
153.01895	3.0
154.99855	2.1
157.01416	5.7
165.01924	14.7
166.99879	2.6
169.01353	2.2
181.01389	3.8
183.02916	12.5
193.01300	1.9
211.02518	8.5
215.12816	2.4
244.35239	1.7
301.20331	1.9
305.06717	14.9
359.07712	30.0
359.28244	2.0
360.08463	2.5
417.08258	70.3
417.13818	4.3
418.08710	6.6
435.09290	5.3
449.11017	4.3
521.28900	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1068
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	3.4
57.03452	2.7
59.01383	13.5
60.64322	1.8
61.98820	4.7
68.99818	3.9
69.03454	5.4
71.01382	15.7
72.99313	5.1
73.02962	4.2
73.39793	2.0
81.03481	3.2
83.01351	9.6
85.02950	6.6
87.00888	12.3
88.03440	2.0
89.02461	3.2
89.68871	1.8
93.03436	2.6
95.01388	5.7
97.02939	5.5
98.20652	6.5
99.00885	11.5
101.02429	4.7
102.39427	2.4
103.05529	4.8
109.02956	3.6
111.00878	20.1
111.04555	2.5
113.02421	6.4
119.05010	2.8
121.02950	3.8
123.00882	2.1
125.02450	5.0
129.01927	2.7
135.00928	2.9
137.02438	6.2
139.00368	7.2
139.03967	3.3
141.01961	4.3
147.04526	100.0
151.00278	2.5
153.02037	2.5
157.01355	2.9
165.01892	14.3
166.99844	6.8
167.03511	2.5
169.01350	3.3
173.06093	2.3
181.01463	3.6
183.02966	8.5
208.73534	2.1
211.02521	9.5
215.12917	5.2
229.45255	2.4
269.02979	2.3
287.05878	1.9
305.06665	11.9
315.17917	3.0
359.07758	29.5
360.08615	2.5
377.08896	3.7
389.25571	5.8
403.23322	4.0
417.08267	87.9
418.08591	7.4
435.09485	3.8
439.77933	2.2
442.62329	2.2
492.16626	2.8
521.29596	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	520.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45199	0.9
54.75443	1.0
55.01532	1.0
55.01836	1.0
59.01380	57.0
60.01707	1.6
61.98831	100.0
69.03452	1.3
69.28925	1.1
69.33943	7.0
69.34354	2.0
71.01390	8.2
72.99301	1.0
73.02951	6.1
83.01380	3.0
85.02952	3.7
87.00865	3.5
89.02450	2.3
93.03450	1.0
95.01379	1.4
97.02916	1.5
99.00869	2.7
101.02440	5.4
103.05600	1.3
111.00862	3.4
113.02454	3.0
125.02464	1.5
127.36703	1.0
137.02446	1.9
139.00357	1.5
147.04527	23.2
153.01889	1.1
165.01877	3.1
183.02911	1.8
201.11322	1.2
211.02473	2.0
215.12791	2.2
279.15570	1.4
305.06525	2.7
315.18185	1.9
353.19556	2.0
359.07788	6.7
371.20566	4.3
402.22037	2.4
403.23135	1.3
413.21588	4.2
417.08270	17.3
520.25708	1.9
521.26337	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2683
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01352	0.7
61.98820	1.2
62.96391	0.4
63.29485	0.4
63.96549	0.4
64.79259	0.4
78.95905	45.0
94.54057	0.5
96.96964	5.3
120.36512	0.4
148.54636	0.4
150.98015	2.0
152.99583	100.0
153.99933	0.9
171.00658	4.0
279.23193	0.7
303.72754	0.5
306.81885	0.4
433.23572	22.0
434.23837	2.6
492.10645	0.5
520.26965	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.0913
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33117	0.9
55.79753	0.8
57.03426	1.1
59.01385	8.6
59.06030	1.0
60.99309	13.3
61.98830	19.5
68.99812	1.0
69.03471	1.5
71.01386	5.0
73.02938	5.3
74.02437	1.0
83.01394	2.1
85.02940	1.2
87.00881	2.6
88.98806	100.0
89.99123	1.0
98.20697	2.0
99.00861	1.4
101.02445	1.3
103.05518	1.1
111.00861	2.2
113.02439	1.9
120.99603	0.9
125.02448	1.0
125.09731	2.1
147.04527	11.5
148.04956	1.0
149.02438	1.4
150.03233	2.1
156.71812	1.1
164.04797	1.2
165.01941	1.8
165.05577	1.9
171.10280	3.5
179.14363	0.9
195.06592	1.5
199.65852	0.9
201.11319	1.5
208.03767	2.0
211.02591	1.1
215.12862	8.3
223.06070	3.8
241.14441	3.5
315.18127	8.5
359.07730	5.2
360.82452	1.0
389.25552	7.0
403.23553	7.2
407.96115	1.0
417.08350	9.6
431.83313	1.0
521.25653	15.1
549.84271	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1068
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.6
57.03436	4.6
59.01382	36.5
61.98832	41.0
67.97732	1.9
68.99821	3.4
69.03448	6.4
69.75664	5.8
69.76076	4.8
71.01381	16.4
72.39922	1.8
72.99301	4.8
73.02949	10.0
75.00889	1.9
83.01388	10.1
85.02949	7.5
87.00876	11.3
88.98817	6.1
89.02431	3.7
95.05038	2.5
97.02948	6.9
98.20641	2.6
99.00873	6.6
101.02437	8.3
103.05525	5.5
107.33630	1.8
109.02943	6.7
109.82813	2.2
111.00890	19.5
113.02424	10.3
115.00375	5.6
119.05033	2.4
121.02959	3.7
123.00883	5.4
125.02481	6.8
125.09645	2.9
127.00367	3.5
129.01944	4.2
134.03729	3.8
137.02461	6.8
139.00366	8.5
141.01933	2.4
147.04524	100.0
148.04915	3.3
153.01904	2.9
157.01385	6.1
165.01947	15.6
167.03442	2.4
171.10278	5.9
176.07925	1.9
183.03001	9.5
187.07788	2.2
193.05051	3.6
201.11362	12.5
206.21017	2.1
207.06558	3.8
211.02525	12.0
215.12912	13.1
241.14513	4.9
269.03040	2.8
278.57465	2.3
297.17371	2.0
305.06790	12.0
315.18054	10.2
315.21414	2.4
341.10007	2.3
359.07733	40.0
361.18527	4.4
377.08945	3.3
389.25314	7.1
403.19394	8.1
403.24136	11.8
417.08279	63.1
418.08499	4.8
435.09189	5.3
449.11084	3.5
521.25317	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	521.1069
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53947	1.5
55.01881	2.9
57.03423	2.9
59.01379	29.7
61.98829	95.3
62.31832	1.9
65.42603	1.8
67.01881	2.4
68.99823	3.0
69.03455	5.5
69.54712	10.5
71.01377	21.2
72.99307	4.9
73.02948	18.8
75.00874	4.2
81.03453	1.9
82.17744	2.0
83.01389	8.5
83.05044	2.1
85.02955	10.1
87.00883	12.8
87.04530	2.4
89.02451	8.5
95.05022	2.1
97.02946	6.1
99.00879	8.8
101.02463	9.4
103.05557	7.6
109.02954	2.2
111.00880	17.9
111.04485	3.5
112.98771	2.5
113.02443	6.7
113.06029	1.8
115.00380	5.5
120.99671	2.4
123.00900	4.5
123.04498	2.3
123.08085	2.0
125.02467	5.0
125.09706	8.9
127.00346	2.9
129.01945	2.6
134.03743	4.0
135.00871	2.2
137.02429	7.6
139.00360	5.6
139.04057	3.3
141.01941	5.0
147.04517	100.0
148.04863	2.2
149.02455	2.1
149.06088	3.0
153.01892	3.4
157.01436	6.2
165.01910	13.6
166.99821	3.0
169.01439	3.2
170.88809	1.8
171.10278	10.1
178.02831	2.2
181.01329	3.7
183.03001	6.0
193.05093	9.9
199.09715	2.1
200.37704	1.7
201.11308	19.2
211.02423	12.5
213.11275	3.8
215.12849	31.9
217.70149	1.8
241.14424	14.1
261.14969	3.1
269.03067	2.6
279.15976	2.5
283.09833	2.2
297.17072	3.6
305.06534	12.4
315.18188	21.7
359.07657	40.4
360.07864	3.1
377.09030	2.4
389.25449	11.7
403.23584	21.2
417.08234	78.0
418.08707	7.0
435.09277	5.7
449.10513	2.7
521.25659	42.5
522.26440	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	520.146
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06974	0.4
58.00600	0.4
59.01383	11.8
60.01715	0.5
61.98832	100.0
62.30735	0.4
69.52277	0.4
70.04652	1.3
70.04986	0.4
71.01384	5.7
72.99342	1.0
73.02964	1.4
75.87128	0.3
78.63440	0.4
83.01395	0.5
85.02946	1.8
87.00912	0.7
89.02445	5.5
89.22733	0.4
94.03024	0.6
99.00871	0.6
101.02453	2.9
111.00876	0.5
113.02438	2.1
119.03548	0.9
125.02509	0.9
125.61872	0.4
131.03523	1.1
135.03017	0.5
135.04546	0.6
136.04897	0.6
137.02521	0.5
138.02005	1.3
147.04529	1.2
149.04588	1.6
161.04607	0.6
167.10776	3.5
233.09799	1.3
237.97041	0.4
252.97839	0.4
277.08777	0.6
293.08847	1.6
295.09756	5.6
296.10175	0.5
337.10736	1.4
357.26791	0.6
388.82462	0.4
519.31616	1.4
520.31659	1.2
521.32471	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01073	1.1
59.01380	56.3
61.98832	100.0
68.99838	0.7
69.03474	1.7
69.35843	1.2
69.36249	5.0
70.17913	0.7
71.01382	6.6
73.02962	4.8
73.23399	0.7
83.01395	3.4
85.02967	2.2
87.00874	3.3
88.98798	1.0
89.02471	0.8
95.01371	1.2
98.19940	1.7
99.00906	2.9
101.02464	5.2
111.00887	3.7
113.02472	2.4
119.05029	0.9
127.04004	1.0
129.02057	0.8
135.00946	0.8
136.31007	0.7
137.02467	0.9
139.00417	2.3
147.04518	19.2
157.01472	1.3
161.04539	2.0
165.01987	1.4
183.03052	2.0
193.05075	0.8
196.64261	0.9
201.11345	1.3
209.15546	1.0
211.02547	1.6
215.12914	1.7
241.14444	1.2
305.06699	1.6
315.18335	1.6
353.19800	2.4
359.07687	5.4
359.20810	1.4
371.20700	3.9
402.22113	2.2
413.21921	5.8
417.08322	12.1
435.09656	1.1
520.25073	1.1
521.26331	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	520.2038
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	25.9
61.98829	100.0
66.11413	0.6
69.48171	2.6
69.48586	1.5
71.01373	4.2
73.02954	4.9
74.02487	2.8
83.01366	1.0
83.52197	0.6
85.02980	1.7
87.00893	1.0
89.02467	2.5
99.00923	0.7
99.05663	0.7
101.02446	3.6
113.02457	1.8
116.07182	2.7
119.03464	1.2
125.09756	0.7
127.32880	0.7
128.03539	1.9
139.07539	0.6
143.03537	1.1
143.04668	2.4
147.04533	0.8
161.04570	0.9
215.12952	2.7
235.94753	0.6
254.07909	1.9
272.09003	1.8
315.18146	2.5
343.21286	0.7
358.26111	1.1
389.25513	0.8
402.22070	1.1
403.23434	3.7
417.60004	0.6
520.24237	2.3
520.32178	7.5
521.25812	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	519.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
69.03463	3.1
70.99905	2.9
71.00259	1.6
71.01382	41.8
72.99300	3.2
73.02946	64.7
75.00878	2.2
78.37784	1.5
82.21299	1.5
83.01392	13.8
85.02958	8.6
86.92328	1.5
87.00881	2.5
89.02451	10.8
93.03446	1.9
93.06367	1.9
93.29792	1.4
95.01389	3.6
95.29590	1.4
97.02931	3.7
98.58074	1.4
101.02444	48.3
107.05016	1.5
108.02143	3.5
109.02943	2.2
111.04520	1.8
113.02455	20.5
119.03506	5.9
120.05829	2.0
121.02960	31.0
121.06599	4.8
123.04516	18.0
129.07140	1.7
131.03517	5.3
135.04529	12.0
135.08165	5.8
137.06126	2.2
139.04018	9.2
143.03473	4.4
144.27853	1.9
145.02859	1.7
145.06573	2.1
147.04480	2.0
148.05243	1.9
149.04562	6.5
149.06058	11.4
155.03719	1.8
157.06606	2.2
161.04581	17.4
163.07677	10.2
165.05573	2.1
175.07617	4.4
181.08615	1.9
185.06058	6.8
187.03908	2.3
193.08708	11.9
203.05688	2.1
203.07167	17.8
207.96600	1.8
221.08237	54.9
222.08611	2.7
225.68939	1.8
236.98273	1.8
239.09340	8.9
249.06256	3.6
252.77600	1.8
297.13403	27.6
298.13794	2.1
371.09744	8.8
463.78220	1.6
519.20801	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	519.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	3.7
55.56815	2.2
57.03447	3.5
59.01381	100.0
61.98823	3.7
65.04046	1.9
66.76601	1.8
69.03455	10.8
71.01382	44.6
72.99312	4.7
73.02945	43.9
75.00905	4.4
79.01907	2.2
81.03448	3.3
83.01389	11.4
83.05062	2.4
85.02955	16.3
85.89336	1.7
87.00888	5.7
88.98785	2.0
89.02447	22.9
91.01865	3.5
93.03461	5.3
97.02945	5.2
99.00883	5.8
101.02438	43.1
102.98592	6.3
103.04021	10.0
103.61575	2.1
107.05053	2.6
113.02458	16.9
119.03511	10.8
119.90076	1.7
121.02949	5.5
123.04485	1.7
125.02440	15.7
129.05594	2.5
131.03493	3.7
134.03755	3.3
134.06157	2.7
135.02997	6.7
135.04501	2.0
137.02437	5.1
143.03465	4.3
149.04585	4.2
151.04013	28.6
153.01973	2.5
161.04514	13.9
163.06111	8.4
173.06044	4.0
185.00880	7.2
191.07109	5.0
193.05116	2.0
203.05563	2.0
229.10884	2.1
247.08356	2.2
249.11328	2.6
267.12512	2.0
281.80145	2.0
294.83588	2.1
297.12643	2.0
302.11774	1.9
302.55191	2.0
307.10291	7.6
320.56406	2.0
326.52615	1.9
394.09750	1.7
459.18695	7.9
519.18549	3.1
519.26422	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	3.9
59.01378	100.0
61.98836	9.0
62.47314	1.0
69.03453	4.8
69.39352	1.9
69.39755	7.9
71.01381	46.1
72.01740	1.0
72.99301	5.6
73.02946	20.7
75.00875	4.0
83.01392	5.5
83.14256	1.1
85.02955	28.8
87.00874	5.2
88.98788	3.0
89.02445	24.3
93.03467	2.1
95.01390	10.2
96.96021	1.8
97.02945	4.4
97.06604	1.1
99.00881	1.6
99.04509	1.8
101.02444	41.4
102.98605	1.2
107.05021	1.9
107.17473	1.3
108.02177	4.4
109.02929	1.6
111.04487	1.3
113.02450	61.3
114.02763	1.9
115.67439	1.0
119.03505	10.2
121.02969	15.6
121.06541	1.1
122.03675	1.3
123.04515	11.8
125.02441	1.9
129.54631	1.1
131.03516	6.0
134.03700	1.8
135.02995	2.8
135.04536	14.5
135.08150	4.2
137.06067	1.4
138.03279	1.1
139.04015	6.5
143.03471	6.4
145.06546	1.9
147.04553	2.1
147.08173	1.4
149.02449	1.3
149.04579	10.5
149.05969	7.2
153.05524	1.4
159.08113	1.0
160.05302	1.5
161.04567	18.3
161.05925	1.8
163.07605	7.4
165.05536	3.8
173.06104	1.3
175.07632	3.3
177.09203	1.5
179.05595	5.4
179.06967	1.2
181.08772	2.8
185.00931	1.1
185.06085	3.4
187.03979	1.3
188.04753	1.9
191.07094	1.6
193.08675	7.5
203.05571	1.7
203.07164	11.5
221.08238	38.6
222.08487	2.3
239.09267	4.2
279.12442	1.9
297.10089	1.7
297.13394	20.3
298.13651	1.6
440.87634	1.2
459.18246	5.4
477.19745	1.8
519.20807	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	519.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12926	1.8
57.03444	4.0
59.01111	2.8
59.01383	43.3
60.99297	6.7
61.98834	15.3
69.03448	6.7
69.59914	3.7
69.60319	10.7
71.01377	24.4
72.99300	6.4
73.02943	16.9
75.00868	4.4
81.03428	3.7
83.01384	2.9
83.05045	2.0
85.02957	23.5
87.00882	8.2
87.04507	2.9
88.98810	52.0
89.02454	23.0
94.63569	1.9
95.01372	3.5
95.05026	2.6
96.96016	4.6
97.02966	2.3
97.06584	2.3
98.19913	4.4
99.04530	6.7
101.02443	16.1
107.05035	2.3
108.02179	4.1
109.02917	5.7
111.00872	2.1
111.04512	4.2
113.02444	11.5
113.06097	6.1
115.04012	6.4
119.03485	4.7
119.05014	11.2
121.02896	2.5
121.06567	4.7
122.03731	2.7
123.04531	17.7
125.06081	5.0
127.04033	5.8
131.04962	2.6
134.03703	4.7
135.02991	2.5
135.04509	5.0
135.08191	2.1
137.02412	3.6
139.07651	5.4
141.05647	2.9
143.03632	2.5
143.05005	2.2
146.03751	3.3
147.03056	2.4
147.04512	2.8
148.05267	4.6
149.04601	2.0
149.06096	9.3
150.03140	2.7
153.05597	2.3
153.09206	2.8
155.03470	2.0
159.04483	2.6
161.04535	6.4
161.06000	2.6
163.03998	8.6
163.07675	10.6
163.66997	2.1
165.05553	9.7
167.07109	5.8
175.07515	2.2
177.05554	3.7
178.02611	2.5
179.05617	2.1
179.07080	4.3
181.08705	8.7
185.00890	3.1
185.06085	3.7
188.04660	2.6
191.01991	4.8
191.07118	4.8
193.05070	3.5
193.08710	2.0
197.08115	2.4
199.09682	3.3
200.22456	2.0
203.07159	11.7
221.08145	5.4
226.06258	9.8
229.00444	2.1
238.06372	2.3
240.08012	2.8
241.08780	9.3
251.07118	4.6
252.07913	10.1
253.08737	4.9
254.09494	4.3
261.11343	2.6
263.07660	2.1
267.10147	11.1
268.10919	2.5
269.11795	4.7
279.06488	5.1
279.12308	3.6
280.07251	2.5
283.09567	2.5
295.09473	3.0
297.13242	3.3
315.14478	56.1
316.14972	2.7
327.08630	4.3
440.85477	1.9
459.18784	16.6
460.18405	2.2
477.19684	36.1
478.20190	3.2
517.02142	2.3
519.14728	57.3
519.20911	100.0
520.15002	5.0
520.21735	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	518.188
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	33.1
60.01692	1.0
61.98832	100.0
71.01384	8.8
72.99325	0.9
73.02952	15.6
79.69321	0.6
80.72211	0.6
83.01385	5.3
84.01710	0.5
84.62881	0.5
85.02979	1.3
85.55980	0.6
87.00909	0.8
89.02443	3.3
99.00907	0.6
101.02448	14.2
113.02422	4.8
116.61202	0.6
119.03506	1.3
120.99656	1.8
131.03581	1.0
143.03496	1.4
149.04587	2.4
156.95067	0.6
161.04601	3.8
401.21771	3.6
471.76492	0.7
519.23877	1.3
519.30597	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.1879
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	31.4
59.66939	0.5
60.01714	1.1
61.81658	0.6
61.98830	100.0
69.03453	0.8
71.01382	10.3
71.55716	0.8
72.65079	0.7
72.99310	2.0
73.02943	11.1
83.01381	2.2
85.02952	2.8
87.00884	1.3
89.02458	3.1
101.02440	9.8
113.02463	4.3
115.44888	0.7
119.03504	2.0
120.99640	1.3
125.09743	0.9
129.55267	0.6
131.03438	0.7
141.92828	0.6
143.03523	1.4
147.04588	1.6
149.04501	0.9
161.04588	2.8
205.95831	0.7
215.63045	0.6
242.98418	0.7
299.18610	0.6
339.21649	0.6
368.26324	0.6
401.21783	2.3
401.26077	1.1
519.24127	1.3
519.30902	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.2522
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	0.6
61.98813	0.9
69.51419	1.7
69.51831	0.7
78.95902	46.3
80.99898	0.4
96.96958	6.3
98.20573	0.7
111.39172	0.3
150.97990	1.7
152.99582	100.0
153.99951	1.1
161.56450	0.3
171.00664	4.3
277.21750	0.8
431.21991	20.7
432.22336	2.2
518.25244	3.5
518.32458	1.1
519.33374	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1352
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	0.8
57.03436	2.1
59.01379	19.5
60.06687	0.6
61.98823	1.3
68.92304	0.5
68.99810	1.1
69.03461	4.5
70.01401	0.6
70.32957	2.1
71.01385	16.0
72.99301	4.6
73.02944	2.6
75.00871	11.4
81.03445	1.0
83.01379	2.0
85.02953	15.5
87.00874	5.1
88.98823	1.0
89.02445	6.0
93.03489	0.9
95.01413	3.6
96.95973	0.8
97.02983	1.7
99.00876	7.5
101.02461	3.2
102.98604	0.6
103.00367	1.0
105.01901	0.9
109.02958	0.7
111.00849	1.1
113.01720	1.1
113.02458	16.0
114.02738	0.6
115.00375	1.2
117.01923	2.8
119.03465	1.0
121.02956	57.8
122.03307	1.4
129.01935	1.9
135.02975	1.3
147.03023	1.0
149.04561	1.2
161.04486	0.8
165.04013	2.8
175.02455	1.9
185.00888	3.4
189.04066	0.8
211.66838	0.6
231.05074	4.4
234.38531	0.6
249.06142	37.4
250.06454	1.4
262.43036	0.5
353.08911	0.9
371.09818	100.0
372.10123	7.2
519.13123	4.4
519.24280	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	518.1878
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	23.3
61.98832	100.0
67.84760	0.6
69.00021	0.5
70.96358	1.3
71.01386	4.5
73.02947	4.4
83.01396	1.1
86.33436	0.5
89.02415	1.2
95.18320	0.6
97.57492	0.6
101.02447	5.4
113.02462	1.6
123.21361	0.6
154.82086	0.5
158.67351	0.6
161.04431	1.2
222.73505	0.6
236.70311	0.6
250.62816	0.6
287.56778	0.6
425.88623	0.7
518.32068	2.8
519.31915	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.1878
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	48.3
60.01723	1.6
61.98831	100.0
63.99640	1.3
69.40005	11.5
71.01390	11.7
72.99315	1.8
73.02941	14.7
75.00876	1.4
83.01390	2.4
85.02951	2.6
87.00871	3.0
88.98777	1.9
89.02461	6.6
99.05606	1.6
101.02444	14.0
113.02452	10.1
127.05003	1.4
131.03569	1.9
135.03036	3.5
135.58716	1.4
137.09776	1.5
143.03575	2.6
143.04640	4.5
149.04546	2.8
161.04573	4.0
166.93179	1.5
195.33549	1.5
221.06691	2.1
241.75726	1.4
272.08887	2.3
295.15720	1.8
306.07642	7.6
324.50851	1.5
401.21741	9.4
487.53015	1.4
488.27548	1.7
491.37860	1.6
519.24365	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	518.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19000	0.4
57.03433	0.5
58.99584	0.6
59.01379	32.3
60.01717	0.7
61.98829	100.0
63.96244	0.4
69.22252	4.9
71.01385	8.3
72.99299	2.4
73.02945	11.0
83.01383	2.8
85.02940	1.1
87.00893	0.8
89.02425	2.3
101.02440	11.8
102.98600	2.9
113.02432	4.7
113.03033	0.4
118.96068	0.5
119.03517	1.6
120.99664	1.2
125.02482	0.6
130.40384	0.5
131.03528	1.3
135.03018	0.8
135.98381	1.2
143.03477	1.3
147.04572	2.0
149.04555	2.2
157.08792	0.6
161.04535	3.7
189.12801	0.8
203.05594	1.1
207.13956	1.3
221.06662	0.8
237.17963	0.5
269.15567	0.7
308.67673	0.5
312.09412	0.7
313.14484	1.7
359.07666	0.5
401.21722	1.8
463.05124	0.6
519.24323	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3222
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.3
57.03441	0.2
57.32368	0.1
58.00591	0.2
59.01377	5.0
61.98812	0.2
70.11173	0.1
70.40991	0.4
71.01380	4.4
72.99306	0.2
73.02936	0.9
77.36548	0.1
83.01377	0.5
85.02943	1.2
85.80288	0.1
87.00888	0.6
89.01928	0.3
89.02439	3.4
91.03979	0.2
95.01355	0.3
99.00873	0.2
101.02443	4.6
107.02919	0.1
113.02454	1.7
119.03493	0.8
125.02415	0.1
126.87028	0.1
131.03494	0.1
133.05038	0.3
143.03491	0.4
158.74419	0.1
161.04549	1.4
179.05563	0.4
225.14975	0.1
235.08197	0.9
253.09274	13.9
254.09634	0.5
261.22165	0.2
270.13995	0.1
279.23264	100.0
280.23611	7.1
383.40784	0.2
515.33746	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3527
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	0.7
62.06107	0.2
67.91415	0.2
69.22489	2.4
79.27198	0.3
81.82284	0.3
106.04259	0.8
107.05019	1.0
121.02993	0.3
152.43623	0.3
155.28627	0.2
163.11285	34.3
164.11609	1.2
175.11299	1.5
176.12137	1.2
177.09271	0.5
177.12846	4.3
179.19276	0.3
181.12257	0.3
190.10005	1.1
207.10237	0.5
208.11049	3.3
263.14835	0.3
267.13974	0.4
269.25241	0.3
281.15369	1.8
282.16238	4.1
283.16983	6.2
284.17188	0.6
293.15491	1.7
295.17017	1.0
330.65585	0.3
339.23257	100.0
340.23572	9.2
349.21658	0.6
351.23264	8.3
352.23492	0.6
515.35297	75.7
516.35632	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	517.0034
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	62.6
61.98827	1.3
69.46633	1.3
69.47057	1.9
90.97144	1.2
98.19936	1.0
99.15573	0.5
118.96609	0.8
132.98212	2.3
132.99133	0.4
157.03568	1.0
174.99245	26.8
196.58130	0.4
197.24400	0.5
201.02551	7.0
202.02794	0.8
217.00287	100.0
218.00597	2.2
345.23483	0.5
359.01450	12.3
360.01587	1.0
374.99194	51.5
375.99512	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	517.1475
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	26.8
61.98825	20.0
71.01385	12.6
71.54528	4.6
72.99318	24.2
73.02957	5.3
75.00889	3.6
80.08598	3.8
80.23757	4.7
85.02966	6.5
87.00887	16.1
89.02437	10.9
96.96004	14.4
96.96961	5.3
98.28232	3.6
101.02474	7.0
104.39895	3.2
113.02443	7.9
117.01924	15.0
121.02966	30.4
125.80755	3.8
135.03001	11.8
135.04517	9.1
139.04042	4.6
151.03990	7.1
154.27850	3.5
157.01414	4.8
163.03993	5.3
173.00833	7.1
176.03436	4.8
181.05051	34.3
203.03664	3.9
213.05544	5.7
241.05072	43.7
249.07753	5.2
256.07449	31.8
271.09738	100.0
272.10019	7.1
277.07327	8.4
299.07727	8.6
307.08188	4.6
317.15875	8.5
319.11853	83.7
319.15802	5.2
320.12097	7.2
356.09903	5.6
479.21356	21.6
481.22284	4.3
517.15704	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	517.2442
Annotation	Chlorodesmin
Peak:m/z	Relative Intensity
55.01878	3.5
57.03448	4.8
58.00590	1.5
59.01380	100.0
61.98838	2.0
68.99834	0.6
69.03465	1.1
71.01382	57.3
72.99311	5.0
73.02945	34.2
81.03476	1.0
83.01386	11.1
85.02951	28.1
86.00101	1.8
87.00892	3.1
89.02446	13.0
95.01396	5.4
97.02951	2.3
99.00872	7.1
101.02441	41.3
113.02451	28.6
113.03264	1.0
119.03482	4.0
120.80844	0.6
125.02438	2.4
129.01949	1.0
131.03433	1.0
143.03485	4.9
159.02963	4.6
161.04550	26.6
162.04990	0.7
259.75830	0.7
267.65558	0.6
269.19119	1.3
295.16995	16.0
296.17514	1.5
313.18082	36.9
314.18573	1.7
323.34158	0.7
328.16718	1.3
391.16653	0.7
394.89056	0.7
397.19910	2.7
398.19983	0.7
413.23392	1.3
431.24542	4.8
457.22305	75.1
458.22571	7.0
475.23389	39.8
475.28989	0.7
476.23483	4.0
517.24414	64.0
518.24738	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	517.2654
Annotation	Unknow
Peak:m/z	Relative Intensity
55.27190	0.6
57.14760	0.5
59.01381	100.0
60.01720	0.9
61.98835	8.2
66.32134	0.5
69.03463	1.5
69.38828	4.1
71.01382	9.8
71.05042	0.6
72.99332	1.2
73.02959	4.1
75.00897	1.6
83.01414	1.6
83.05025	1.2
84.30374	0.6
85.02966	4.0
87.00887	2.1
87.04569	0.7
88.98825	1.1
89.02452	5.9
95.01393	0.9
99.00908	2.1
101.02431	4.6
105.01943	9.7
105.02646	0.9
113.02464	4.4
115.02271	0.7
116.92955	0.9
117.97329	1.3
119.03513	2.1
119.05064	2.2
120.99634	0.6
129.01888	0.5
131.03494	0.8
135.03033	2.0
135.04581	0.7
143.03517	0.9
147.04520	0.7
149.04515	0.7
159.74109	0.6
161.04648	2.2
161.09789	0.9
163.04137	0.5
174.03253	2.3
175.02391	0.8
179.10834	1.1
185.00853	0.7
189.05695	1.9
205.12363	1.3
207.06715	0.7
209.08354	0.6
215.03062	0.6
219.06787	1.1
249.11415	1.0
293.11951	0.7
311.09238	3.1
390.28232	0.6
397.22293	0.6
429.17780	0.8
457.24500	0.9
475.21893	0.9
492.77820	0.6
517.18884	2.1
517.27985	3.4
518.26447	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	1.2
59.01380	100.0
61.98536	1.7
61.98829	25.9
69.27834	1.2
71.01389	19.2
71.55994	1.8
73.02950	9.7
75.00880	2.0
83.01400	2.8
85.02946	7.0
87.00867	3.3
89.02448	8.3
95.01366	2.4
97.84674	1.0
99.00858	3.2
101.02444	9.3
102.98615	2.1
112.88338	1.2
113.02437	7.3
118.98092	5.4
119.03501	2.2
125.02431	1.3
135.02998	1.7
143.03476	2.0
161.04572	8.2
179.05576	1.8
199.61308	1.4
203.14363	3.2
205.15968	2.0
209.60458	1.2
218.88284	1.3
221.53526	1.2
249.14903	2.7
251.16425	3.8
267.16000	26.8
268.16235	1.3
300.05685	1.3
307.78870	1.2
395.20648	2.9
411.20264	10.1
412.20496	1.5
413.21719	3.1
423.64426	1.4
429.21341	19.0
455.21945	2.5
471.22375	50.5
472.22708	6.1
515.28455	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	515.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
55.40278	0.6
56.51587	0.6
59.01379	100.0
60.01707	0.8
61.69510	0.5
61.98834	5.6
71.01382	6.3
73.02948	2.7
73.33964	0.6
73.69922	0.6
83.01399	1.8
85.02931	3.6
89.02462	2.5
99.00910	0.6
101.02431	5.4
113.02473	2.1
119.03519	0.7
125.02526	0.7
128.20531	0.6
128.75963	0.6
141.09142	0.7
161.04620	1.8
171.37251	0.6
193.12370	1.8
209.37408	0.6
251.16515	4.3
267.16110	1.1
327.05920	0.6
335.18546	1.0
395.21237	1.6
413.21777	10.2
414.22559	0.9
429.21664	1.1
455.22690	5.6
471.22311	4.1
473.27432	0.7
515.29211	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	515.2857
Annotation	Tricalysioside M
Peak:m/z	Relative Intensity
55.01874	2.8
57.03442	2.0
58.00580	0.8
59.01380	24.8
61.98819	2.2
69.03461	1.7
69.44225	3.7
69.44635	1.7
71.01384	51.4
72.99306	1.6
73.02948	21.2
75.00867	1.5
81.43820	0.7
83.01391	6.2
85.02952	24.2
86.00083	0.7
87.00865	2.6
89.02450	14.8
95.01385	3.7
97.02937	2.5
99.00878	9.5
101.02449	31.9
102.02786	1.2
111.00895	1.1
113.02451	20.0
115.03996	1.0
119.03513	2.3
123.04500	0.7
125.02439	3.9
129.01935	1.2
131.03552	3.8
143.03519	2.4
149.04556	3.6
159.03027	5.1
161.04559	27.9
191.05612	0.8
205.03569	1.2
229.59653	0.7
233.06703	1.4
293.09149	0.8
383.24380	24.0
384.24701	2.1
443.98184	0.8
515.28601	100.0
516.28955	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	515.3223
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.3
56.98335	0.1
57.03429	0.1
58.00598	0.3
59.01379	5.1
63.81203	0.1
66.19659	0.1
69.03491	0.1
70.40500	0.2
70.40824	0.1
71.01380	4.4
72.99305	0.3
73.02943	0.8
83.01396	0.5
83.05041	0.1
85.02950	1.0
87.00873	0.6
89.02445	3.0
93.16925	0.1
95.01373	0.3
97.02950	0.2
99.00887	0.3
101.02448	3.8
103.03992	0.1
106.33326	0.1
113.02446	1.8
115.03999	0.2
119.03523	0.6
125.02385	0.2
131.03484	0.2
133.05057	0.4
140.62979	0.1
143.03482	0.4
147.27023	0.1
161.04559	1.4
179.05609	0.5
235.08241	0.7
253.09291	13.0
254.09509	0.5
257.52042	0.1
261.22241	0.2
279.23279	100.0
280.23633	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	514.3244
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	0.5
61.98831	100.0
62.98529	0.2
64.01974	0.1
69.34036	1.0
71.01433	0.2
74.33208	0.1
149.40872	0.1
160.60535	0.1
204.03456	0.1
270.23087	0.1
454.33856	0.2
502.24670	0.1
533.23480	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	515.1248
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	4.7
59.01384	78.2
71.01383	69.4
71.52849	6.3
72.99313	6.2
83.01379	6.2
84.70766	4.2
85.02941	28.1
87.00860	15.0
89.02448	60.6
95.01404	4.5
96.95972	5.4
97.02966	4.5
101.02443	29.4
113.02428	34.7
119.03518	21.9
125.82262	4.0
125.88260	3.6
131.03479	7.3
142.99866	20.0
143.03436	5.5
151.06078	18.6
161.04524	6.0
172.06149	3.8
173.00935	6.4
173.04512	13.5
179.05637	20.7
191.89601	3.6
265.09293	5.7
283.10196	4.1
307.55780	3.8
341.06750	6.4
341.10858	100.0
342.11075	6.9
455.14145	5.1
495.17813	4.8
515.16071	62.8
516.16180	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	515.1902
Annotation	Unknow
Peak:m/z	Relative Intensity
57.62746	2.0
59.01379	19.8
61.98841	16.5
69.03452	3.4
71.01377	7.7
71.54505	2.6
72.99303	2.1
73.02936	3.0
75.00878	2.7
78.95914	2.8
81.45614	1.6
82.64596	1.7
83.07005	1.9
85.02957	4.6
87.00882	5.3
89.02466	4.5
95.05051	1.9
96.81620	1.8
96.96014	8.2
96.96954	2.8
97.02967	3.3
97.33002	1.9
99.00883	2.9
99.15099	2.0
101.02431	5.0
113.02432	5.0
116.68824	1.8
119.05008	3.0
121.02980	2.4
122.06070	2.2
125.02446	3.3
134.03813	2.4
135.03079	2.7
135.04568	2.6
136.01768	1.8
147.04489	1.7
149.06056	5.3
150.03261	5.5
151.03964	3.5
163.04117	2.8
163.07695	2.0
165.05539	5.3
167.03494	2.8
177.01810	1.8
179.05733	3.1
185.00932	1.9
225.29654	2.2
244.72491	2.0
253.14662	2.1
271.09937	3.5
299.14978	3.0
317.16071	34.1
398.06119	1.9
477.20087	3.4
479.21368	70.0
480.21948	5.1
499.34851	2.5
515.19043	100.0
516.19543	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	515.1902
Annotation	(2'E,8R)-2',3'-Didehydro-2'-deoxy-4',8-dihydroxyverrucarin A
Peak:m/z	Relative Intensity
57.62746	2.0
59.01379	19.8
61.98841	16.5
69.03452	3.4
71.01377	7.7
71.54505	2.6
72.99303	2.1
73.02936	3.0
75.00878	2.7
78.95914	2.8
81.45614	1.6
82.64596	1.7
83.07005	1.9
85.02957	4.6
87.00882	5.3
89.02466	4.5
95.05051	1.9
96.81620	1.8
96.96014	8.2
96.96954	2.8
97.02967	3.3
97.33002	1.9
99.00883	2.9
99.15099	2.0
101.02431	5.0
113.02432	5.0
116.68824	1.8
119.05008	3.0
121.02980	2.4
122.06070	2.2
125.02446	3.3
134.03813	2.4
135.03079	2.7
135.04568	2.6
136.01768	1.8
147.04489	1.7
149.06056	5.3
150.03261	5.5
151.03964	3.5
163.04117	2.8
163.07695	2.0
165.05539	5.3
167.03494	2.8
177.01810	1.8
179.05733	3.1
185.00932	1.9
225.29654	2.2
244.72491	2.0
253.14662	2.1
271.09937	3.5
299.14978	3.0
317.16071	34.1
398.06119	1.9
477.20087	3.4
479.21368	70.0
480.21948	5.1
499.34851	2.5
515.19043	100.0
516.19543	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	515.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
57.32169	0.9
58.00578	0.9
59.01378	100.0
60.01711	0.8
61.14511	0.8
61.98827	5.1
69.03471	1.0
70.05532	1.5
70.05885	3.1
70.61318	1.0
71.01387	8.7
73.02952	9.7
76.33299	0.9
83.01381	2.5
83.05017	1.0
85.02940	2.3
87.00859	1.3
89.02428	2.7
93.03455	1.1
99.00855	1.0
101.02434	9.1
113.02428	4.1
119.03506	1.3
125.02505	1.3
131.03572	1.4
137.02386	1.4
143.03545	1.2
148.43260	0.9
151.07617	3.1
159.04512	1.7
161.04575	2.2
175.07619	16.5
233.11806	2.2
293.13962	5.4
393.18814	1.2
395.31747	0.9
411.20520	1.5
430.14969	1.0
471.22382	4.8
472.22845	1.0
497.30917	1.2
515.31897	3.9
540.91864	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3064
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	0.4
57.03453	0.2
58.00613	0.2
59.01377	6.9
62.78794	0.1
69.03495	0.1
69.23129	1.2
71.01381	4.5
71.01772	0.2
72.99299	0.2
73.02948	1.1
81.03465	0.1
83.01358	0.6
83.05032	0.2
85.02937	1.1
87.00886	0.6
89.02444	3.7
91.04028	0.3
95.01414	0.3
97.02952	0.2
99.00896	0.3
101.02445	4.4
101.03098	0.2
104.98567	0.1
111.04540	0.1
113.02452	2.1
115.03966	0.1
119.03482	1.1
125.02397	0.2
127.07625	0.2
131.03545	0.2
133.05048	0.4
143.03499	0.3
149.04352	0.1
157.05070	0.2
158.88159	0.1
161.04544	1.8
179.05588	0.6
222.33450	0.1
233.22745	0.5
235.08192	1.0
253.09280	15.8
254.09624	0.6
259.20605	0.4
275.20120	0.3
277.21707	100.0
278.22061	8.1
526.96246	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	2.4
57.03438	2.7
59.01381	80.2
61.98829	10.5
66.35937	2.1
68.87486	1.8
69.03439	3.9
69.42983	4.4
69.43385	11.9
71.01008	2.3
71.01381	30.6
71.05009	4.6
73.02953	23.2
81.03452	2.6
83.01369	6.1
83.05011	3.0
85.02937	9.1
87.04507	2.8
89.02449	8.4
89.47571	1.6
95.05018	3.7
96.83504	1.7
97.02936	4.1
97.06590	4.2
98.20709	2.1
99.00876	3.3
100.34052	2.0
101.02454	16.0
113.01717	1.9
113.02480	11.4
113.03133	2.2
115.04005	4.2
125.02493	2.9
125.09753	2.2
137.09706	5.4
149.09752	2.3
151.07610	3.8
161.04562	5.0
161.05914	2.1
164.51776	1.9
165.09175	3.2
177.12764	2.2
185.01015	2.0
203.14357	8.2
221.15428	3.7
221.48816	1.8
265.14462	16.0
269.89941	1.8
287.77402	1.9
301.73169	2.2
315.13531	4.1
409.18710	2.7
427.19757	18.8
469.20761	100.0
470.21103	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	513.3064
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.4
57.03453	0.2
58.00605	0.3
59.01377	6.6
59.50349	0.1
61.98837	0.3
67.01902	0.1
69.03482	0.1
70.14672	0.3
71.01379	4.5
72.99321	0.2
73.02942	0.9
83.01371	0.5
83.05042	0.1
85.02950	1.1
87.00851	0.6
89.02441	3.6
91.04005	0.2
94.71212	0.1
95.01371	0.4
97.02962	0.2
99.00902	0.2
99.04534	0.1
101.02437	4.4
103.04015	0.1
104.91283	0.1
113.02442	2.0
119.03494	1.0
125.02461	0.2
127.07666	0.3
131.03487	0.1
133.05077	0.3
137.50728	0.1
143.03499	0.4
144.53072	0.1
157.05063	0.2
161.04533	1.7
179.05617	0.6
233.22725	0.4
235.08214	1.0
253.09270	15.8
254.09631	0.5
259.20602	0.3
275.20090	0.3
277.21698	100.0
278.22043	7.8
278.25293	0.1
422.32663	0.1
436.27344	0.1
514.48743	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	511.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	4.2
57.03435	5.9
59.01382	94.4
61.97283	3.7
61.98829	13.8
67.24497	3.8
71.01382	57.6
73.02947	22.2
80.53002	3.0
83.01409	11.3
85.02946	23.2
87.00872	6.2
89.02437	33.8
92.10032	4.4
99.00880	13.8
101.02443	42.3
113.02444	18.5
120.48763	4.2
125.02409	6.1
131.03490	12.5
146.44333	3.3
149.04532	16.2
161.04552	7.0
171.01552	3.7
233.06512	5.5
319.21219	32.3
333.93646	4.2
368.07559	3.9
408.15787	3.7
448.09744	4.8
451.25406	100.0
452.25848	8.8
511.25571	11.7
511.32974	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	512.1044
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35077	0.4
58.25214	0.4
59.01383	3.3
61.98830	100.0
66.62923	0.3
69.03461	0.7
70.21111	0.4
71.01385	1.3
72.99313	0.7
73.02953	0.7
75.00874	11.6
75.02673	0.3
82.75927	0.4
85.02989	0.6
87.00883	0.6
89.02457	1.1
94.29738	0.4
101.02456	0.7
101.10239	0.4
103.67752	0.4
113.02464	0.5
136.07738	0.4
137.02457	1.4
141.21994	0.3
150.44534	0.4
163.00293	0.5
183.29904	0.4
210.04176	0.3
222.85977	0.4
260.82990	0.4
270.69812	0.4
343.29825	0.3
481.10120	0.4
511.31256	7.3
512.14453	1.1
512.21332	0.8
512.31641	5.6
513.17310	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.2346
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	7.0
61.98830	100.0
71.01380	1.8
73.02966	0.5
85.02943	0.7
87.00863	0.8
87.04514	0.5
97.49174	0.4
101.02475	1.0
113.02432	0.7
115.92111	0.5
118.12992	0.4
123.21166	0.5
125.02463	1.3
142.99968	0.5
168.27541	0.5
295.09839	1.2
296.10159	1.9
350.21228	0.5
512.12549	1.0
513.27332	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.1247
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	5.7
55.24482	1.3
59.01365	6.3
61.98829	22.9
63.54359	1.4
69.03454	100.0
69.12158	1.5
71.01379	5.2
71.12682	2.0
71.13006	2.1
72.99304	1.7
75.00855	2.1
79.01894	6.1
84.99225	1.5
85.02964	3.0
95.01388	3.6
97.02946	18.8
99.00875	29.7
101.02479	2.5
113.02508	1.8
141.01944	12.2
165.05545	5.7
185.00908	98.9
186.01245	4.8
513.15466	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	513.1741
Annotation	Kadsuphilol H
Peak:m/z	Relative Intensity
59.01371	6.9
61.98834	21.6
62.66729	1.5
62.86206	1.5
64.46208	1.5
65.17927	1.5
69.28632	15.5
71.01391	9.3
72.99309	3.5
73.02965	1.9
84.97891	1.7
85.02948	3.2
89.02448	4.9
96.96002	5.2
96.96973	1.9
97.02953	3.0
101.02454	4.1
113.02443	3.7
119.03511	2.2
128.03552	7.0
136.99141	2.1
149.06104	3.1
154.45113	1.7
202.27493	1.8
215.39287	1.7
223.09789	2.7
261.08792	1.7
261.11588	1.9
315.11081	2.8
315.14450	13.4
341.14438	2.0
470.18973	2.2
475.89163	1.6
477.19901	25.2
478.19888	3.0
496.33862	2.1
513.17487	100.0
514.17609	4.6
532.57001	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	511.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38122	1.2
59.01382	17.9
61.98830	57.7
62.98479	1.3
69.03455	3.1
69.35214	11.2
71.01382	11.7
72.61678	1.4
72.99329	2.6
73.02959	2.2
74.99094	1.9
75.00876	4.7
78.95945	1.5
85.02946	3.4
87.00871	3.2
87.01492	1.3
88.98833	6.5
89.02454	11.0
97.02970	2.0
98.20592	2.6
99.00848	1.6
101.02437	5.0
108.02204	3.1
109.02938	1.6
113.02409	4.7
119.03507	4.5
123.04478	3.1
136.01659	25.1
136.99159	3.3
138.05705	1.2
149.01410	1.1
149.02432	8.0
150.03242	1.9
151.04016	28.6
151.95834	1.2
152.04324	1.9
161.02388	1.6
162.03194	3.3
163.03947	1.8
164.03487	3.6
164.04791	7.4
165.05482	2.7
167.03566	1.9
177.05600	1.5
179.05615	2.9
179.07130	7.3
180.04185	1.4
181.05034	2.8
185.00842	2.6
191.04602	3.4
195.06622	2.1
199.03967	1.7
200.04729	2.2
211.03944	1.8
227.03442	3.0
228.04308	7.2
228.06332	1.6
233.09232	5.2
243.06560	1.7
244.04822	2.1
255.03165	1.4
256.03775	11.7
259.07181	3.8
261.08786	3.1
270.05273	2.5
271.06088	51.7
272.06406	3.1
285.07742	5.4
286.08456	38.7
287.10226	5.4
300.10165	2.1
301.10806	100.0
302.11069	7.8
313.08063	1.7
331.09436	6.0
349.08994	1.6
349.13269	16.4
350.13202	1.4
380.15463	3.0
382.47440	1.4
511.15067	9.0
511.31375	4.0
512.20129	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	3.0
58.00581	3.9
59.01377	87.9
61.98832	66.9
69.03448	3.1
71.01382	67.5
72.99302	6.5
73.02956	12.4
74.77349	2.0
75.00874	36.7
76.03378	2.1
81.03451	5.3
83.01367	3.5
85.02941	8.3
87.00866	9.9
89.02446	81.6
97.02939	5.3
101.02438	23.0
109.06578	3.0
113.02448	11.0
119.03479	4.7
120.99570	2.9
125.02464	17.6
125.09755	2.4
131.03497	24.6
134.03738	19.4
135.37350	2.3
149.04536	44.9
149.05998	7.3
157.08694	100.0
178.02690	4.3
187.09700	2.9
191.05568	7.6
193.05054	19.6
233.06567	2.7
249.34962	2.3
293.08813	66.4
393.15518	18.5
393.20398	4.3
460.14868	2.4
511.18765	3.6
511.24335	4.0
511.31174	43.7
512.31812	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	511.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30851	1.7
53.33738	1.5
55.01857	2.3
57.03452	3.3
58.00581	3.4
59.01380	100.0
61.98832	83.2
61.99163	2.5
66.58392	1.5
68.52962	1.5
69.03450	3.5
70.21971	6.3
71.01382	78.9
72.99302	8.2
73.02953	9.1
74.99107	9.0
74.99467	1.6
75.00874	62.4
83.01388	5.7
85.02961	17.2
87.00876	9.1
89.02448	80.6
93.03468	4.5
95.01392	4.2
96.96037	2.5
97.02977	2.2
98.19975	1.8
99.00861	2.8
101.02442	42.6
105.01940	1.8
107.05037	2.2
108.02174	3.1
113.02454	32.6
119.03504	34.7
120.02185	2.4
120.99635	3.5
123.04516	2.8
124.15511	1.4
125.02439	4.4
127.00322	2.8
131.03490	3.1
134.03738	2.9
135.02965	2.6
135.04543	2.2
136.99141	6.6
137.02469	9.2
138.03195	2.8
138.05624	2.1
139.04016	2.0
143.03474	5.7
145.02963	4.2
146.03746	2.1
147.04530	2.7
149.02444	4.0
149.04501	1.8
150.03221	11.2
151.00374	2.2
152.01152	3.5
153.05571	26.6
154.01350	1.8
161.02451	5.1
161.04536	9.4
162.03235	38.4
162.05409	1.8
163.03900	2.0
165.01996	2.0
165.05554	14.5
167.03503	5.5
177.05565	34.2
179.05585	17.6
180.04301	3.1
185.00885	2.3
186.89261	1.8
193.04997	1.9
195.06615	14.2
206.99417	2.4
315.08673	2.3
349.05588	2.1
349.13913	2.1
349.18600	6.4
363.10437	2.2
363.16302	2.2
393.16171	2.5
427.17258	1.8
493.19485	1.7
511.18356	8.9
511.24332	6.3
511.31180	67.7
512.31403	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	511.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	8.1
61.98829	19.1
65.28665	0.6
68.85142	0.6
69.03449	1.1
69.66908	3.7
71.01382	4.5
73.02930	0.9
75.00867	2.0
79.06043	0.6
80.93427	0.6
85.02953	1.1
87.00881	0.8
89.02454	4.7
91.83295	0.7
99.00850	0.9
101.02418	3.3
113.02429	1.5
119.03495	1.4
129.63258	0.6
131.03743	1.3
132.04552	1.3
136.01685	5.4
137.02423	1.2
139.04028	0.9
139.07632	1.8
149.02490	1.6
150.03166	1.0
151.03990	6.3
162.03165	0.9
165.05449	1.2
167.03435	1.2
172.05244	0.8
175.02469	0.7
179.07146	0.9
181.05051	1.0
183.06586	1.1
199.03926	1.8
200.04720	2.5
210.03302	0.8
211.04004	1.9
227.03490	2.7
228.04308	8.1
239.03427	1.0
243.06598	3.1
256.03763	12.5
261.08817	7.9
271.06116	59.6
272.06479	3.1
286.08463	44.5
287.08835	2.9
301.10794	100.0
302.11130	7.7
330.99170	1.1
331.09164	1.0
349.12927	23.3
350.13181	2.2
420.63736	0.7
511.16144	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	510.0887
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55629	0.8
59.01381	9.5
61.98830	85.3
63.02409	1.0
65.00325	2.6
69.43714	2.2
69.44132	4.5
71.01380	4.3
73.02940	1.6
74.01158	0.9
75.00858	2.1
81.37096	1.0
83.01383	3.4
85.02917	2.1
89.02430	3.6
93.03418	0.9
98.19971	2.0
101.02431	3.4
107.01387	8.5
113.02439	1.8
121.02953	7.0
146.75481	0.9
148.01645	1.1
149.02455	1.2
151.00356	43.5
161.04500	1.2
163.00319	1.3
164.01097	1.5
171.10321	1.1
175.22026	0.9
178.99858	2.2
229.05067	1.0
255.03040	2.0
257.04611	1.1
271.02448	1.7
272.03195	1.4
273.04037	1.6
286.90274	0.9
300.02722	28.6
301.03522	68.3
302.03867	3.9
391.26904	18.4
392.27191	7.7
413.81561	1.0
434.17230	1.9
447.09299	100.0
448.09567	10.3
478.16641	1.3
509.29279	12.9
510.29892	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	510.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15223	0.4
54.82648	0.5
59.01384	1.7
61.98830	100.0
69.48155	2.3
69.48574	1.1
87.00872	0.5
89.02446	0.9
98.20615	0.9
138.40981	0.5
162.70732	0.5
301.03699	0.6
310.81754	0.4
324.14993	0.5
447.09497	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
54.96198	0.3
58.72733	0.4
59.01382	4.7
60.01722	0.4
61.98829	100.0
69.69045	0.4
71.01397	1.5
71.55408	0.6
72.64462	0.3
72.99300	0.8
73.02941	0.6
83.01440	0.4
85.02967	0.7
87.00898	0.6
89.02440	0.8
101.02440	1.1
109.98907	0.3
110.15312	0.3
110.42361	0.3
113.02475	0.4
116.96091	0.4
119.04999	0.3
125.02462	0.5
141.23381	0.3
144.14151	0.4
175.02667	0.4
199.34978	0.4
240.22450	0.4
271.02579	0.5
295.09668	0.7
300.02866	1.5
301.03564	1.6
447.09293	2.4
510.26270	2.4
511.27292	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2553
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	4.7
61.98829	100.0
69.48576	4.1
71.01393	1.3
72.99310	1.2
78.95915	2.4
87.00899	0.7
89.02428	0.7
105.01954	0.9
113.02439	0.6
114.78436	0.7
151.00371	1.1
152.99585	0.7
171.00667	0.7
233.09616	0.7
233.67065	0.6
295.09933	1.5
300.02866	1.8
301.03574	1.5
447.09311	3.7
510.28720	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	510.2555
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	6.5
61.98830	100.0
64.85414	0.6
70.70020	0.9
70.70364	1.0
70.92197	0.6
71.01387	1.6
72.99328	1.0
78.95892	0.6
85.02981	0.6
87.00876	0.9
89.02441	1.0
101.02438	0.8
104.13554	0.5
113.02502	0.8
139.00404	0.7
147.04520	0.9
148.16914	0.5
151.00337	0.9
233.09645	0.8
255.03020	0.7
271.02371	1.2
295.09674	1.3
296.09933	0.6
298.10416	0.6
300.02820	2.3
301.03577	1.8
377.39673	0.5
377.83578	0.5
384.11316	0.6
387.54102	0.5
388.83044	0.5
447.09052	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	509.2968
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00215	0.3
52.79958	0.3
57.03444	0.9
58.00590	0.4
59.01383	2.2
61.98817	1.8
63.61597	0.4
69.03441	0.5
69.57778	2.4
71.01385	1.8
73.02943	0.8
75.00887	1.1
83.05019	0.4
85.02958	0.9
87.04507	3.1
89.02459	1.0
97.06582	0.5
98.19966	0.7
99.08168	0.6
101.02453	0.7
109.32610	0.3
111.08187	0.4
113.06062	0.5
123.08121	0.4
125.02438	0.4
125.09719	2.1
127.11358	0.6
129.09216	0.4
137.09744	0.6
143.10811	1.0
155.10770	1.5
164.45815	0.4
169.12320	1.2
171.10251	4.2
175.85439	0.4
182.32889	0.4
185.11824	0.8
201.11313	2.7
202.11679	0.4
215.12863	0.7
225.14967	0.4
237.18687	0.4
259.04279	0.4
273.20694	0.7
285.20786	1.1
301.20154	1.6
319.01419	0.4
327.21887	0.9
332.05215	0.4
343.24973	1.0
345.22852	4.3
346.95395	0.4
355.24731	0.7
357.22656	0.3
359.24088	0.7
366.52728	0.4
371.24268	1.6
373.25925	6.6
378.10806	0.4
389.25369	1.2
391.27005	100.0
392.27359	7.9
400.96521	0.4
447.09149	0.5
509.29651	48.9
510.29950	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	510.0888
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09338	1.6
59.01385	16.1
60.97099	1.5
61.98832	100.0
71.01375	8.1
72.99265	2.0
73.02961	3.6
75.00856	4.2
77.35354	1.7
78.70966	1.7
82.97565	1.9
85.02953	2.5
87.00858	1.9
89.02439	6.5
96.77446	1.6
96.78111	1.6
98.20756	3.4
101.02431	3.6
109.29575	1.7
126.80111	1.7
135.02953	2.1
138.80006	1.7
151.00366	1.8
161.04594	2.0
200.89970	1.7
216.22371	1.8
227.03497	25.6
228.03833	2.1
255.02997	39.6
256.03537	6.1
284.03250	42.5
285.03891	10.4
331.37408	1.8
370.26047	1.9
391.26950	14.9
392.27216	5.7
447.09274	81.4
448.09961	8.0
449.80310	1.8
509.29654	7.3
510.22333	2.8
510.29776	3.8
511.20569	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	510.0887
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49416	1.4
51.34527	1.5
53.42831	1.4
61.17450	1.6
61.98828	14.4
69.31940	13.8
69.32330	3.0
74.63633	1.6
83.18420	1.5
87.02600	1.6
98.73225	1.5
99.04477	1.5
107.01411	2.1
109.02948	2.0
110.48498	1.8
110.58946	1.6
121.03076	2.0
126.24331	1.7
149.57419	1.6
150.35527	1.4
151.00346	10.6
163.00352	2.2
163.36095	1.6
171.50626	1.5
178.99861	5.4
243.02998	4.3
255.03008	20.8
256.03644	1.9
271.02478	37.0
283.02444	2.3
300.02740	68.9
301.03464	51.0
302.03915	2.7
339.88535	1.7
391.27063	4.3
447.09308	100.0
448.09772	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	508.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88557	0.2
59.01381	1.1
61.98830	100.0
62.98528	0.3
69.89662	1.1
71.01392	0.5
72.35097	0.2
89.02498	0.3
101.02509	0.4
522.80566	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01900	0.4
55.05231	0.4
57.03450	0.8
59.01379	12.2
59.50273	0.3
60.01733	0.5
61.98830	100.0
62.39670	0.3
69.03471	0.6
69.91032	0.3
70.60551	0.8
71.01384	5.9
72.99323	1.2
73.02953	3.3
74.03297	0.4
75.00869	1.6
76.20786	0.3
83.01399	0.9
85.02950	2.2
87.00880	1.0
87.04544	0.5
89.02448	2.9
93.03475	0.5
95.01402	0.5
96.95999	0.6
99.00903	0.7
101.02458	3.2
108.02206	0.4
108.08237	0.7
111.00883	0.7
113.02427	1.9
114.02760	0.4
117.01979	0.4
119.03483	0.8
119.05064	1.1
125.02448	0.6
125.09731	0.4
127.00391	0.4
131.03481	0.4
134.03804	1.1
135.03050	0.8
135.04460	1.2
136.04898	1.1
136.99248	0.4
137.02499	0.6
145.03014	0.3
147.04485	1.9
148.04929	0.5
149.02477	0.6
150.03174	0.7
151.00372	0.4
151.03935	0.4
152.07173	0.8
161.04607	1.0
163.04005	1.0
164.04848	0.8
165.01949	0.4
165.05556	1.8
166.05965	0.8
167.65703	0.4
171.10300	0.4
175.02574	0.6
185.11798	0.9
189.20294	0.3
193.01486	0.4
193.05110	1.3
194.05443	0.8
208.03831	0.6
209.04144	0.4
211.22472	0.3
223.06033	1.8
224.06541	1.0
266.56790	0.4
305.99057	0.4
311.09427	0.9
319.10724	0.3
346.26157	1.1
361.18771	0.6
372.25226	0.4
373.25903	0.4
389.25394	0.5
390.12741	1.5
390.26004	1.8
391.27042	7.6
398.12592	0.4
406.25757	0.4
417.08673	0.7
418.08530	0.8
507.28275	0.7
508.15579	0.8
508.22299	1.3
508.28482	5.3
509.22037	0.9
509.29910	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2884
Annotation	CHEBI:68981
Peak:m/z	Relative Intensity
50.28224	0.4
52.11823	0.4
58.05135	0.4
66.47974	0.4
78.95907	18.4
96.00621	0.5
96.96971	1.5
100.72007	0.4
150.97981	0.6
152.99594	31.5
171.00655	1.3
204.46313	0.5
215.26666	0.5
227.03223	4.6
245.04266	1.3
281.24857	100.0
282.25168	8.1
417.24103	0.8
509.28833	54.6
510.29202	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	509.2962
Annotation	Unknow
Peak:m/z	Relative Intensity
56.98026	0.4
57.03422	0.9
58.00577	0.6
58.68213	0.3
59.01115	0.3
59.01376	4.3
61.98827	2.6
69.03449	0.8
69.18315	3.0
71.01379	2.5
71.04996	0.4
72.99292	0.6
73.02941	2.0
75.00855	1.1
79.99286	0.3
80.64108	0.3
81.51057	0.2
82.09930	0.3
83.05027	0.4
85.02930	0.9
87.00839	0.6
87.04514	4.2
89.02444	1.5
95.01387	0.5
97.06565	0.5
99.00866	0.4
99.04475	0.5
99.08124	1.0
101.02451	1.3
107.01347	0.3
109.06576	0.6
111.00890	0.3
113.02409	0.8
114.99071	0.3
117.01908	0.5
119.03442	0.7
119.05048	0.5
121.02896	0.4
121.06599	0.3
122.98301	0.5
122.99110	5.3
123.08150	0.7
123.99858	0.8
125.02351	0.3
125.09735	2.3
127.11262	0.9
135.03003	0.7
137.09673	0.4
141.09184	0.5
143.10742	1.5
150.98630	0.7
151.00378	0.3
153.09155	0.4
155.10698	0.8
157.12291	0.6
163.04140	0.3
166.97954	0.6
167.98888	0.4
171.10272	3.8
180.99725	0.5
185.11871	0.6
201.11314	3.3
209.15430	0.4
215.12875	0.4
225.05695	0.3
237.18452	0.7
258.03513	7.2
259.04254	2.6
271.02484	0.5
271.18985	0.4
273.20654	1.0
283.19193	0.3
285.20502	1.3
300.02744	0.5
301.03632	0.3
301.20187	2.2
315.21634	0.5
325.23605	0.4
327.21646	1.1
329.23242	0.7
343.24918	0.9
345.22791	6.0
346.23203	0.6
347.05957	0.6
347.18161	0.4
347.24551	0.4
349.18698	0.3
353.23380	0.4
355.24854	1.4
357.22855	0.4
359.24368	0.6
371.24377	1.2
373.25854	7.6
374.26031	1.0
379.20581	0.3
389.25360	1.6
391.26984	100.0
392.27313	9.3
421.09610	7.9
421.14072	0.2
422.09933	1.1
447.09192	1.1
509.11075	1.1
509.29657	54.5
510.29944	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.3533
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67869	0.6
55.01870	2.7
57.03444	2.1
58.00592	0.7
59.01379	20.7
60.06876	0.6
61.98823	2.4
65.03937	0.7
67.01885	1.4
68.99820	3.8
69.03455	1.5
69.18719	6.8
71.01382	40.8
72.99301	2.2
73.02953	8.3
75.00877	1.0
78.95916	1.4
81.03477	0.7
83.01385	8.3
83.05018	1.2
83.27580	0.6
85.02949	14.7
87.00879	10.9
89.02448	8.1
93.03468	1.4
95.01395	4.3
96.99328	7.9
97.02937	2.4
98.19914	1.5
99.00864	5.0
101.02450	17.9
103.05532	1.2
109.02924	1.3
111.00874	10.2
111.04499	0.9
113.02452	12.2
115.00382	0.8
115.03961	0.7
115.05538	8.0
117.03447	1.8
119.03500	2.5
119.05048	1.1
120.58421	0.6
125.02430	4.2
127.00370	2.6
129.01924	2.1
131.03497	0.7
131.05017	1.4
137.02483	1.3
139.00377	8.5
141.01962	1.4
143.03490	1.1
147.04527	31.4
148.04886	0.9
153.01927	1.9
155.65393	0.6
157.01454	3.2
159.02988	3.1
161.04564	7.7
165.01952	0.8
183.03008	4.7
191.08577	1.5
195.17567	0.8
205.10277	3.5
207.11795	3.1
211.02473	26.6
212.02811	1.0
216.48105	0.7
221.09712	0.7
229.03525	2.9
233.09692	22.6
234.09993	2.3
251.10791	9.3
277.08655	8.1
278.09125	0.7
285.91922	0.8
295.09741	100.0
296.10101	10.2
345.30075	9.2
346.30402	0.8
385.33249	0.7
390.09866	0.7
429.24921	1.7
480.85165	0.6
506.11246	0.7
507.13635	1.1
507.28635	1.7
507.35345	44.4
508.35516	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	508.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	41.0
60.63017	3.5
61.01815	4.5
61.98829	100.0
63.79463	4.7
65.32180	4.3
66.81660	4.2
67.19742	4.4
70.68014	12.5
71.87242	4.2
74.58808	4.0
78.95915	7.0
82.28719	4.2
92.77096	4.2
96.48358	3.7
98.52597	4.1
100.78128	4.1
145.02930	9.0
148.80736	4.2
149.66612	4.6
232.84508	4.6
301.11975	4.2
330.48730	4.8
414.51004	4.6
468.27283	4.7
508.30341	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	507.2728
Annotation	Unknow
Peak:m/z	Relative Intensity
56.03422	0.4
57.38341	0.4
59.01365	0.7
59.75169	0.4
65.35822	0.4
65.96671	0.4
70.84837	0.6
70.85192	1.0
71.41159	0.4
78.95903	20.7
83.64024	0.5
96.96980	1.2
152.99582	32.3
153.99915	0.7
171.00632	1.7
184.17128	0.5
193.12923	0.5
199.16223	0.5
227.03217	5.1
245.04305	1.4
279.23279	100.0
280.23615	7.9
360.28131	0.5
369.32907	0.5
415.22504	0.7
507.27280	55.4
508.27567	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
56.12443	0.5
57.03455	1.4
59.01381	11.8
61.98834	2.2
69.47516	3.8
71.01383	3.5
71.05058	0.9
73.02940	2.7
75.00871	1.1
78.24710	0.5
79.43941	0.5
84.53525	0.4
85.02964	1.4
87.04522	3.3
97.06601	1.6
99.08176	1.1
101.02438	1.5
109.06600	1.2
111.08137	0.6
123.08155	0.8
125.09731	4.6
127.11286	0.9
129.09161	0.6
135.02988	0.9
135.08165	0.6
138.06790	0.7
143.10802	0.9
153.09232	1.9
155.10754	0.6
164.04903	0.6
171.10272	9.7
172.10722	0.6
188.43150	0.5
201.11317	3.0
215.12845	1.2
228.13576	0.6
245.13992	1.1
246.14552	0.9
271.19177	0.7
301.20258	0.7
343.21158	2.0
353.23831	0.6
359.24118	0.8
369.22986	1.1
371.24399	5.9
387.23816	1.5
389.25433	100.0
390.25790	9.7
402.20200	0.5
507.28052	54.7
508.28622	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	507.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59760	1.4
55.01850	2.0
55.82278	1.5
57.03444	1.8
58.00587	2.9
59.01378	100.0
61.98814	4.1
69.55277	11.0
70.28909	1.4
71.01383	58.2
72.99301	4.1
73.02946	8.3
83.01362	2.0
85.02955	9.4
87.00887	7.0
89.02443	74.5
91.95644	1.4
95.01352	2.1
96.97056	1.4
99.00884	2.3
101.02445	33.9
109.25776	1.2
111.00874	4.2
112.51172	1.2
113.01815	1.4
113.02459	13.6
119.03519	7.4
121.62103	1.5
131.02554	1.8
131.03502	31.8
134.36510	1.7
137.02110	1.6
139.00330	1.7
143.03365	1.6
147.04500	2.8
149.04558	70.7
161.04575	2.5
179.05595	4.6
191.05597	18.5
211.02505	3.0
224.08009	1.5
233.09595	2.4
246.55495	1.4
251.10707	4.8
295.09830	10.1
304.83072	1.6
311.09631	1.8
447.22198	31.7
448.22519	2.3
463.25415	3.0
507.27896	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34769	0.9
52.60514	0.8
55.01867	3.0
57.03437	4.3
58.00586	2.1
58.52782	1.0
59.01381	51.9
61.98831	9.0
67.48627	1.0
69.03458	1.1
71.01383	57.8
71.32430	1.6
72.99320	4.8
73.02949	24.1
75.00860	4.7
81.03406	1.0
83.01379	8.5
83.05032	2.3
85.02952	25.2
87.00866	6.4
87.04529	1.8
89.01923	1.7
89.02448	21.8
95.01386	4.6
95.27707	1.1
97.02955	2.2
97.06570	1.7
99.00880	5.9
99.04514	1.4
101.02444	41.5
105.18713	0.9
111.00889	3.3
113.02451	23.7
119.03485	4.4
123.08110	0.9
125.02467	2.8
125.09704	1.7
131.03568	5.2
134.03700	1.9
135.02991	1.8
137.09785	0.9
139.00435	1.1
139.07651	3.0
141.36787	1.0
143.03465	2.4
147.04544	5.0
149.02475	1.0
149.04555	2.8
150.03177	1.8
159.02878	1.9
161.04572	11.3
165.01949	1.2
165.05487	1.7
171.10194	1.8
179.05626	2.2
183.06647	2.2
193.05014	2.9
201.11269	6.4
215.12877	1.3
223.06035	1.1
223.11267	1.1
225.05522	1.2
297.04025	2.1
299.16553	1.5
301.10754	1.3
301.17813	1.8
303.18140	2.2
305.06628	1.2
308.57501	1.0
327.08722	6.1
364.24075	1.1
371.24481	2.6
375.23831	16.3
389.25485	15.4
390.25894	1.6
404.18314	1.0
405.24838	2.3
417.08182	1.5
435.09470	1.1
447.16653	1.2
476.78751	1.0
507.22183	100.0
507.28339	31.6
508.22180	11.2
508.28680	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	507.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69734	0.8
51.61132	0.8
55.01872	0.9
55.57842	0.7
57.03448	1.4
59.01379	100.0
60.01694	1.2
61.01813	1.0
61.98834	18.0
62.90396	0.9
68.99801	0.8
69.48737	2.3
69.49164	3.5
71.01382	10.8
72.99306	2.3
73.02949	5.4
75.00883	1.2
75.72697	0.7
77.45236	0.9
81.03471	0.7
83.01359	1.2
85.02956	5.0
87.00882	1.4
89.02439	7.0
93.03426	0.8
95.01390	1.5
97.02952	2.0
98.19954	1.6
99.00898	1.4
99.04555	1.1
99.39968	0.8
101.02445	6.7
113.02467	6.6
114.23179	0.8
119.03511	2.5
121.02953	1.2
123.08159	1.7
125.02441	0.9
132.04552	2.4
134.03761	2.1
135.98398	1.0
149.06029	1.1
149.09724	0.9
150.03220	3.4
150.05673	1.0
151.07655	2.2
161.04591	3.7
165.05580	3.7
178.02754	1.0
179.05579	2.4
193.05032	4.4
195.06683	1.2
207.13890	2.9
225.14897	1.9
243.15993	8.4
285.17053	1.8
301.07092	1.3
303.16827	1.0
341.10284	1.8
345.10056	1.3
357.82886	0.8
373.14014	3.2
387.20245	29.4
388.20490	2.6
389.12433	2.2
389.17926	1.0
405.21289	3.8
447.22308	14.2
448.22891	1.0
452.72174	1.1
465.22504	1.5
507.14920	1.2
508.28235	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1566
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01364	5.1
70.40766	3.3
71.01389	3.6
72.44139	1.2
72.79852	1.3
72.87009	1.2
72.95547	1.3
73.02923	1.5
73.93202	1.1
75.00859	3.3
75.62311	1.1
78.43557	1.1
85.02959	1.7
87.00876	24.9
87.45199	1.1
89.02440	2.1
89.53259	1.3
99.00884	3.2
101.02410	1.7
105.01926	20.3
106.02262	1.4
119.04955	1.3
121.02940	2.2
129.01976	2.0
147.02994	3.3
163.03944	1.5
165.04042	100.0
165.09964	1.3
166.04329	1.8
177.15437	1.5
177.47809	1.5
279.44650	1.3
330.41052	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1643
Annotation	Unknow
Peak:m/z	Relative Intensity
54.65144	0.4
59.01381	14.9
61.98830	4.3
68.43656	0.4
69.03451	2.5
69.20933	3.1
69.21347	1.4
71.01379	3.4
72.99313	0.5
73.02941	1.5
75.00862	1.3
78.62454	0.5
85.02962	1.3
87.00918	0.5
89.02442	1.6
92.56142	0.5
95.03741	0.7
97.01704	0.5
97.02940	1.3
99.00863	1.1
101.02458	2.4
104.05064	0.8
106.06611	1.9
113.02436	1.3
119.03529	0.5
120.99621	0.6
121.02939	1.9
122.03704	0.9
122.06097	1.0
123.04472	0.6
124.07692	4.7
125.02292	0.5
132.04553	23.5
133.05342	13.6
134.03748	8.3
134.06152	4.0
135.02997	1.3
135.04448	0.8
137.02444	1.2
138.05605	0.8
145.58437	0.5
148.04021	1.4
149.02452	2.5
149.06055	1.7
150.03221	8.2
150.05605	1.2
151.03966	0.8
152.50880	0.4
161.04491	0.6
165.04283	9.6
165.05559	8.1
175.04019	0.4
176.03503	1.2
176.07065	0.7
177.04300	3.3
178.02740	2.6
178.05090	1.3
180.04347	1.0
181.05008	0.7
181.45929	0.5
185.00908	2.0
186.09216	2.0
193.05051	13.4
194.05367	0.9
195.06644	5.2
198.09099	0.6
209.03262	4.0
213.06723	1.3
214.12364	2.7
215.11861	4.6
221.06352	0.4
222.18011	0.5
225.05424	0.6
225.64801	0.5
229.09753	2.2
240.10167	1.7
241.09767	3.4
243.16014	1.1
244.75587	0.5
255.11330	0.6
257.08527	1.1
257.12949	19.0
257.15656	0.9
258.13138	1.2
267.07571	0.6
282.09015	1.1
283.10907	8.8
301.07230	2.1
301.11905	9.5
302.12222	0.9
303.08765	0.5
327.09903	0.8
341.10257	5.6
345.10880	100.0
346.11215	7.2
387.12091	0.8
387.20297	2.6
389.12482	4.3
390.13071	0.6
405.21469	1.5
420.40042	0.5
447.22308	1.6
492.59204	0.6
507.15994	9.6
508.16876	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	1.6
59.01381	20.3
59.20701	1.3
61.98828	33.9
69.18906	1.6
69.62347	7.8
71.01377	14.1
71.83881	1.3
72.01713	1.5
72.99296	2.6
73.02934	5.3
75.00854	3.2
83.01374	2.3
85.02942	5.0
85.11823	1.5
86.09921	1.2
87.00867	1.8
88.30175	1.4
89.02427	6.8
93.03459	3.0
98.20525	2.8
99.00867	1.4
101.02442	8.9
113.02452	6.4
119.05013	2.3
121.02982	6.7
122.03734	6.3
123.04499	6.0
131.03516	2.1
133.02966	2.6
134.03740	71.8
135.03033	1.3
135.04440	6.7
137.02420	5.2
147.04515	2.9
149.02415	14.8
149.06099	17.8
150.03221	53.3
151.04004	23.3
152.26910	1.4
161.04517	5.2
164.04781	3.6
165.05569	49.8
166.05855	2.5
178.02705	29.4
180.04221	4.3
181.05066	21.9
190.34671	1.4
192.04221	3.8
193.05046	100.0
194.05382	5.7
195.06599	21.9
265.08572	1.5
267.06635	2.7
267.68161	1.5
282.08923	4.9
327.12399	3.6
341.10269	21.7
342.10492	1.7
371.11264	1.7
373.41382	1.6
389.07297	3.1
389.12402	59.6
389.25552	7.8
390.12500	5.6
405.24701	2.7
447.20999	1.7
507.15173	4.5
507.28119	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	506.2428
Annotation	Unknow
Peak:m/z	Relative Intensity
55.71709	15.3
61.98816	27.5
69.77002	100.0
83.79714	22.9
95.12958	16.5
96.95999	30.0
98.19927	32.5
164.00856	16.3
172.24950	18.9
311.75821	20.0
360.13794	19.8
413.09000	20.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.297
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85109	0.5
56.99595	0.4
57.31477	0.4
59.01357	0.5
61.98830	100.0
63.21520	0.5
75.76665	0.4
78.95905	7.0
78.97408	0.4
87.85222	0.5
99.26624	0.5
139.24643	0.4
152.99580	11.6
199.50658	0.4
227.03349	1.5
279.23288	36.0
281.24982	1.6
284.99002	0.5
507.27234	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	507.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	6.2
64.01258	1.0
69.52879	7.5
71.01400	2.2
93.03452	2.2
103.31080	1.0
103.32372	1.2
116.63245	1.1
117.01943	2.7
117.03451	1.6
121.02074	1.5
121.02946	18.4
122.03732	7.8
133.02864	1.1
134.03748	56.6
135.04465	2.4
137.02455	5.5
139.04005	1.7
147.04558	1.1
149.02455	23.7
149.06059	13.1
150.03229	59.9
151.03661	2.2
164.04770	3.9
165.05579	59.1
166.05911	1.7
178.02734	27.3
179.03098	1.1
180.04292	4.0
193.05060	100.0
194.05370	4.8
195.06625	38.5
221.06052	1.7
223.07843	1.0
233.05963	1.7
234.06987	1.8
239.07129	3.7
250.06334	4.4
253.08730	2.1
254.09448	1.6
267.06702	2.6
282.08990	11.2
290.17776	1.1
341.10266	56.5
342.10565	3.9
389.12473	14.5
507.15042	12.3
508.15729	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	505.2651
Annotation	Foliasalacioside E3
Peak:m/z	Relative Intensity
55.01876	5.7
57.03450	4.0
58.00595	3.9
59.01381	100.0
60.01725	1.3
61.98834	8.3
69.03459	3.2
69.51991	4.2
71.01382	92.2
72.01740	1.1
72.99311	6.3
73.02948	23.4
75.00865	1.9
83.01387	13.8
83.05024	1.8
84.53941	0.6
85.02949	33.1
86.00082	0.9
87.00888	6.2
87.04514	0.9
89.02446	64.3
93.03511	1.0
95.01368	3.7
97.02953	2.6
99.00880	7.9
99.04539	1.0
101.02444	69.6
102.02804	1.0
107.01408	1.0
108.08172	1.6
109.02985	1.2
110.18065	0.7
111.00891	6.5
113.02448	29.4
115.04027	2.4
119.03500	13.8
120.99603	1.0
123.04536	0.8
125.02439	6.6
127.04031	0.8
129.01944	1.5
129.05586	0.9
131.03502	26.0
132.03813	0.9
135.03050	0.8
137.02443	2.2
143.03496	5.6
149.04555	19.2
149.05936	1.0
150.03302	0.8
151.00352	2.2
151.04005	2.9
151.07628	0.9
152.07146	1.2
159.02988	2.5
161.04544	21.1
163.03934	0.9
165.02019	0.8
177.09222	2.3
178.99821	1.2
179.05632	6.8
179.10780	2.2
191.05585	3.9
195.06618	1.2
195.10303	3.0
196.06099	0.9
215.05627	1.6
223.09769	2.3
233.06627	6.9
237.09201	3.1
243.02968	2.5
253.14456	1.0
255.02968	5.8
255.10159	2.2
263.31158	0.7
271.02490	12.6
272.02878	1.4
281.15656	0.9
283.15698	1.1
293.08679	1.8
300.02747	20.5
301.03439	9.0
307.13312	1.3
325.14297	2.6
355.21240	1.2
373.22314	44.2
374.22562	3.6
377.67773	0.8
387.23810	2.2
417.21103	0.8
445.20676	16.5
446.21143	1.4
461.11548	1.1
468.48093	0.8
505.09906	11.1
505.20624	5.7
505.26639	75.9
506.26907	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	505.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13824	0.7
55.01873	5.4
57.03446	6.2
58.00583	3.6
59.01379	100.0
60.01702	1.2
61.98831	7.3
62.00433	0.7
69.03451	3.2
71.01382	89.5
71.55233	0.8
72.01751	1.6
72.99308	6.7
73.02946	23.6
73.03360	1.4
75.00858	1.5
76.48209	0.6
81.03468	1.5
83.01385	11.8
83.05025	1.5
84.02166	0.6
85.02946	32.8
86.00122	1.4
87.00884	7.0
87.04517	0.8
89.02443	61.6
90.02782	0.8
93.03504	0.9
95.01360	4.5
97.02941	4.0
99.00880	8.6
99.04538	1.4
99.45332	0.6
101.02444	68.7
108.08208	2.1
109.02943	0.8
111.00895	6.8
113.02451	30.8
114.02784	0.9
115.04014	1.9
119.03513	10.9
120.99649	0.8
121.02922	0.9
123.04530	1.2
125.02444	6.9
125.09705	0.6
127.04039	1.7
129.01941	1.5
131.03510	28.7
131.21460	0.7
137.02441	2.7
143.03506	5.2
146.59988	0.6
147.04546	0.9
149.04553	19.4
151.00360	1.4
151.04034	1.3
152.07115	1.8
159.02997	2.8
161.04553	21.8
162.04834	0.8
163.00327	0.6
165.02007	0.9
168.69139	0.6
177.09169	2.2
179.05638	5.5
179.10770	2.3
185.01042	0.8
187.06134	0.8
191.05603	3.9
195.06685	0.8
195.10251	1.6
196.06242	1.5
197.13797	0.6
215.05641	1.6
223.09824	1.8
233.06656	6.6
237.09193	2.6
241.05125	0.7
243.02924	1.3
253.14471	0.9
255.03018	2.6
255.10318	2.0
263.14517	0.7
265.14499	0.9
271.02432	6.7
272.03030	1.3
281.15347	1.5
283.15482	1.1
293.08911	1.4
300.02750	11.4
301.03506	5.1
307.13306	1.3
308.81683	0.7
325.14395	3.9
355.21283	1.1
373.22290	49.1
374.22797	3.4
387.23996	3.9
403.16345	1.4
445.20709	13.6
446.20685	1.5
505.10165	5.9
505.20236	5.9
505.26608	72.5
506.14926	1.3
506.21350	0.7
506.27020	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	505.2296
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	3.0
57.03441	3.3
59.01380	67.8
61.55629	1.1
61.98836	9.9
69.03454	10.5
69.50733	5.2
71.01381	28.2
72.99303	2.9
73.02944	18.0
74.99094	1.5
75.00864	2.0
81.03455	2.3
83.01374	6.1
83.05026	3.3
85.02947	17.4
86.10021	1.0
87.00869	3.0
87.04521	11.0
89.02442	8.5
93.87676	0.9
95.01391	2.5
95.05038	2.7
97.02960	2.7
97.06569	1.3
98.19907	2.2
99.00881	5.8
99.04514	6.4
101.02447	24.2
109.02983	1.1
109.06586	1.1
111.04537	1.7
113.02445	12.3
113.06097	5.3
115.07643	2.8
118.98076	1.8
119.03489	3.4
121.06606	2.4
123.04524	1.6
123.08150	10.6
125.02436	3.8
125.06110	2.4
127.07568	2.0
131.03386	1.3
133.06612	3.0
135.02951	1.2
135.08084	0.9
138.05696	1.9
138.06796	1.2
139.07651	3.5
141.05621	1.7
141.09201	3.6
143.03479	2.9
151.07646	13.6
152.16446	1.1
153.09222	2.8
161.04585	5.6
165.09222	2.0
169.08699	13.3
179.05627	1.9
185.00920	5.8
187.09766	3.2
207.10339	1.7
209.06084	1.1
223.13330	1.8
231.03418	1.3
237.05608	1.5
241.14529	4.8
265.14374	2.2
283.09894	1.2
283.15576	9.1
301.16556	100.0
302.16895	7.4
343.17548	4.2
345.15744	1.1
348.43848	1.2
353.51093	1.0
387.16617	1.2
445.20740	44.8
446.21027	3.6
463.21817	73.5
464.21994	5.9
505.22903	37.3
506.23224	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	505.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	12.9
57.03440	5.0
58.00586	3.2
59.01378	100.0
61.98827	3.5
69.03464	6.0
69.91025	13.5
71.01382	58.0
71.05024	18.0
75.10085	2.5
81.03459	50.2
81.17400	2.8
84.02176	19.7
85.02948	19.4
87.00903	4.5
89.02445	83.9
95.01395	3.1
97.02954	14.7
98.03730	32.0
99.04523	94.3
101.02445	27.9
107.05025	3.4
113.02453	25.5
119.03490	28.2
121.82720	2.3
123.08194	18.6
131.03523	3.5
135.04520	10.2
135.08105	2.9
143.03496	7.8
147.08226	2.4
149.09711	18.9
155.37086	2.8
160.28676	2.2
161.04529	10.8
165.09227	10.3
167.10745	19.3
170.40036	2.6
179.05589	30.2
189.09203	8.0
207.10196	10.0
217.12335	10.1
219.13889	3.1
221.11958	3.1
235.13326	3.8
247.13391	10.9
265.14401	22.4
386.94913	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	505.2574
Annotation	Amoritin
Peak:m/z	Relative Intensity
59.01367	2.6
59.70147	1.0
61.98831	55.4
64.08153	0.9
67.33208	1.0
69.47933	2.0
69.48330	6.2
77.67770	1.0
77.84686	0.8
78.95904	34.1
95.42410	1.0
96.96948	2.2
117.15977	0.9
125.02322	0.9
139.37570	0.9
152.99582	44.3
171.00601	1.4
213.56450	0.9
227.03133	5.2
233.34343	0.9
245.04315	2.5
271.62790	0.9
277.21716	100.0
278.22116	10.0
299.41345	1.1
413.20615	1.4
429.63724	1.0
431.81595	1.0
505.25690	58.8
506.25970	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	505.2084
Annotation	7-(10'-Hydroxygeranyl)scopoletin 10'-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
55.01869	2.8
57.03445	3.4
58.00594	2.1
59.01382	100.0
61.98839	17.7
65.46555	1.1
69.03443	3.6
71.01004	2.5
71.01385	46.9
71.68053	1.4
72.99317	7.6
73.02955	13.7
75.00868	2.5
83.01382	5.2
83.04996	1.2
85.02956	12.5
87.00890	6.4
87.04499	2.4
89.02449	39.4
95.01405	4.5
97.06564	1.5
98.20659	4.0
99.00871	4.2
101.02452	31.7
102.02778	1.9
113.02464	20.7
117.01946	1.5
117.27901	1.3
119.03522	17.2
119.04986	2.5
120.99624	1.8
127.71724	1.2
128.37782	1.1
130.08719	1.2
131.03490	2.0
135.02968	3.2
136.99149	1.1
139.40202	1.3
142.99847	2.2
143.03470	1.9
147.04478	1.6
159.02959	1.4
161.04549	3.2
163.03978	2.5
171.10281	2.1
179.05595	2.9
185.00900	2.1
185.11859	1.5
201.11494	1.7
225.11243	2.9
229.92413	1.2
234.93762	1.3
281.15442	11.0
283.19052	1.5
299.16260	2.2
307.13306	1.9
343.17664	2.7
357.22556	1.3
387.23877	30.6
388.24423	2.8
403.23444	1.7
427.17682	1.5
443.20724	4.3
445.24289	2.5
461.21924	11.8
462.22214	2.2
463.25565	2.7
487.19733	43.9
487.25595	2.1
488.20065	5.1
505.20718	45.1
505.26773	36.9
506.21054	5.2
506.27475	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	505.2293
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	5.3
57.03445	6.0
58.00588	2.9
59.01380	100.0
60.01709	1.3
61.98829	8.0
63.75577	0.7
65.15331	0.7
65.54653	0.7
69.03451	3.1
69.51534	3.6
69.51943	1.4
70.30782	0.8
71.01382	92.2
72.01727	1.8
72.99312	5.1
73.02945	23.3
74.99145	0.7
75.00876	1.7
81.03459	0.9
83.01392	12.6
83.05038	1.6
85.02953	32.1
86.00100	1.0
86.03302	0.8
87.00868	5.6
89.02446	62.7
90.02819	1.1
95.01391	5.5
97.02962	3.5
99.00873	7.3
99.04494	1.3
99.99258	0.6
101.02446	67.8
102.02811	1.2
107.01431	0.7
108.08251	1.5
109.02944	1.1
111.00880	7.5
113.02450	28.1
114.02774	0.8
115.04010	2.0
119.03511	13.6
119.05077	0.7
120.99641	0.8
121.02946	1.1
123.04533	0.7
125.02459	5.6
127.04062	1.5
129.01970	0.8
131.03508	26.0
132.03838	1.0
135.02989	1.3
137.02441	2.0
141.01913	0.8
143.03484	6.5
147.04547	0.8
149.02559	1.0
149.04549	19.4
151.00395	1.4
151.04034	2.5
151.07657	1.0
152.07249	1.0
159.02972	3.2
161.04556	19.0
162.04945	1.1
165.01868	1.0
172.64444	0.7
173.04617	0.7
177.09273	1.2
179.05609	7.3
179.10799	2.7
180.04211	0.7
184.49789	0.9
185.00853	0.8
187.06180	0.8
191.05615	3.8
195.06676	1.3
195.10274	2.7
196.06134	1.0
197.09760	0.8
207.10229	0.9
223.09789	2.3
223.13408	0.8
233.06697	6.6
237.09166	3.1
241.05179	1.2
243.03024	1.9
253.14291	1.0
255.03009	2.9
255.10361	2.1
263.14359	0.8
271.02463	8.1
275.83286	0.7
279.08728	0.8
281.08221	0.9
283.15585	1.5
293.08676	2.1
300.02774	13.0
301.03503	5.1
307.13330	1.1
311.10217	0.7
325.14383	1.4
355.20914	1.0
373.22299	41.3
374.22446	3.2
387.23685	3.7
403.16263	0.8
417.15561	0.7
445.20764	17.2
446.20840	0.9
450.15045	0.7
496.39145	0.8
505.09866	8.2
505.20331	6.5
505.26639	74.0
506.27008	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
58.76460	0.3
59.01380	100.0
60.01721	0.7
61.98835	0.5
70.19228	1.4
78.95882	0.4
115.27070	0.3
121.02959	11.4
142.69804	0.3
149.00098	0.4
161.83740	0.3
201.71564	0.3
322.56128	0.4
326.99451	0.4
427.46594	0.4
447.13376	2.6
448.13721	0.4
460.43887	0.3
505.34570	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
61.98821	7.2
69.23547	18.6
71.01401	2.4
98.20015	4.4
104.15582	1.8
121.02957	8.6
129.59555	2.1
133.57649	1.8
143.16307	2.0
152.70544	1.7
161.04575	1.9
176.76703	2.0
178.22968	2.1
204.80234	1.9
501.48773	2.2
505.34250	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	505.2082
Annotation	7-(10'-Hydroxygeranyl)scopoletin 10'-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
55.01862	3.5
57.03426	4.0
58.00551	1.3
59.01376	47.7
61.98821	10.1
69.03429	2.4
69.71227	6.7
71.01376	50.6
72.99283	5.5
73.02618	1.2
73.02943	17.7
75.00872	2.7
80.24838	1.1
83.01382	6.4
85.02444	2.1
85.02943	25.2
86.00090	2.0
87.00853	4.7
89.02445	15.8
95.01373	4.6
98.19980	2.3
99.00860	7.9
100.76023	1.2
101.01802	2.3
101.02432	31.0
113.01705	2.3
113.02443	24.2
119.03506	4.5
119.04981	1.8
119.80794	1.4
120.99588	1.6
134.03705	1.4
135.02966	2.5
137.02289	1.4
141.74120	1.3
143.03496	2.6
149.06087	1.9
150.91661	1.4
159.02943	4.5
161.04521	15.9
185.11835	2.1
201.11267	1.8
223.09718	1.8
237.09105	3.5
255.10262	2.4
281.15411	7.9
299.16473	24.9
300.16742	1.8
369.22595	1.6
387.23761	15.5
445.24615	1.8
461.21771	27.0
462.22037	2.3
487.19727	16.0
488.19400	1.4
505.20490	100.0
505.26761	16.7
506.14978	1.4
506.21042	12.6
506.27377	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1355
Annotation	Mikanin 3-galactoside
Peak:m/z	Relative Intensity
50.93007	0.9
54.34746	0.8
59.01380	42.5
59.27800	0.9
61.98832	14.9
63.45954	0.8
64.51166	0.9
69.03460	2.0
71.01384	24.0
71.54705	1.5
72.97515	1.3
72.99300	2.1
73.02939	5.5
75.00862	2.2
83.01377	1.5
85.02962	4.7
87.00869	2.9
87.04543	1.0
89.02447	9.6
93.03457	11.2
95.01388	2.0
97.02880	1.2
97.06677	0.9
99.00865	2.3
99.04536	0.9
101.02444	9.3
108.02176	10.0
109.02954	12.3
113.02456	6.7
114.99567	1.4
115.00375	24.3
118.98060	0.9
119.03523	5.3
119.05021	21.0
121.02962	8.1
122.03732	4.5
123.04533	2.4
125.02463	2.6
131.05006	1.9
132.05762	1.3
133.02934	3.7
133.06599	3.2
134.03772	2.8
135.04526	37.6
136.04875	2.0
137.02402	2.0
143.03461	1.4
145.06586	2.2
147.04494	3.0
148.05293	9.2
149.06052	4.0
151.07642	1.4
155.58592	0.9
159.04457	1.1
161.02496	1.8
161.04523	5.0
161.06036	6.0
163.04044	7.0
165.05544	2.0
168.12637	0.9
177.05518	2.4
179.03493	21.8
179.05534	2.4
180.03978	1.6
181.08641	1.8
185.00972	1.3
189.05492	1.4
191.10735	1.1
195.06532	1.4
197.04477	1.7
199.07623	1.1
210.06795	1.8
213.09184	1.8
225.05659	1.3
225.07629	3.9
226.06326	17.4
227.07120	71.0
228.07413	4.0
237.09204	7.5
239.07202	1.9
253.08728	34.6
253.11363	1.8
254.09328	7.6
255.10255	100.0
256.10580	6.5
258.75229	1.2
265.14362	1.1
271.19434	1.0
283.15466	8.9
299.09299	9.0
301.16486	3.9
343.08160	33.9
344.08502	2.6
389.12476	1.5
415.13055	1.0
445.20837	10.3
446.20700	1.3
463.21866	5.7
464.21954	1.3
505.13446	49.8
506.13785	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	504.2816
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03985	0.5
52.43130	0.5
56.34669	0.5
61.98831	100.0
71.12113	1.1
78.95911	5.4
82.40694	0.5
85.29781	0.5
106.72387	0.6
111.03338	0.5
130.63745	0.6
152.99602	7.4
156.31894	0.5
158.59311	0.6
159.91634	0.5
227.03255	2.1
277.21725	19.6
279.23029	0.6
289.81888	0.6
423.36563	0.5
504.34628	0.6
505.25790	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	504.31
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	0.4
59.70700	0.0
61.98821	0.1
71.01408	0.1
78.95906	6.5
80.88674	0.0
83.05030	0.1
83.13744	0.0
87.48214	0.0
96.96945	0.1
98.19843	0.1
152.99600	0.8
168.04324	1.5
171.00658	0.1
224.06929	1.0
242.08000	2.9
243.08234	0.1
261.22226	0.4
277.21750	1.3
277.24753	0.1
279.23282	100.0
280.23624	7.6
459.77548	0.0
504.30939	5.9
505.25391	0.2
505.31427	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1141
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	2.3
61.98824	0.8
71.55135	0.6
72.37524	0.5
73.87183	0.5
85.28463	0.5
99.35841	0.5
106.66620	0.6
119.21125	0.6
121.02959	100.0
122.03293	2.3
147.46703	0.5
150.06894	1.6
162.06865	1.7
180.05797	0.6
181.06625	2.9
197.06122	3.3
207.04489	1.2
225.05573	2.1
257.09698	0.8
313.07257	5.6
327.21774	1.9
327.76505	0.5
357.05878	0.8
383.07648	0.9
417.09744	8.9
418.10138	1.5
487.30530	0.6
504.33966	1.0
505.11429	6.4
505.35150	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1356
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.7
58.00583	2.9
59.01380	69.9
61.98535	2.1
61.98830	28.1
67.87160	1.4
69.03444	4.0
71.01382	30.5
71.55159	2.1
72.97504	1.7
72.99294	5.9
73.02945	7.9
74.99091	2.2
75.00863	4.1
83.01393	3.4
83.05020	2.3
85.02956	8.0
87.00869	5.0
87.04549	1.4
89.02449	20.1
93.03465	11.5
95.01375	3.5
96.95995	2.3
97.02905	3.2
99.00841	2.1
99.04509	2.7
101.02436	18.4
102.98580	2.9
107.05018	2.5
108.02203	9.0
109.02964	16.2
113.02451	13.0
115.00365	13.7
115.71445	1.3
116.35936	1.4
117.01897	2.5
119.03522	7.4
119.05029	10.4
121.02928	6.8
121.06575	1.5
121.45934	1.4
122.03706	3.1
123.04503	3.0
124.01566	1.7
125.02412	3.2
126.84854	1.5
131.05005	1.7
133.02876	3.7
133.06511	1.7
135.03023	9.0
135.04532	20.5
137.02420	4.5
139.07622	2.0
143.03426	2.9
145.06610	2.4
146.03751	3.4
147.04453	3.2
148.05276	5.4
149.06050	4.6
151.03993	2.4
158.96107	1.6
161.04520	6.6
161.06017	6.4
163.03966	3.9
164.04782	2.1
165.01927	1.7
165.05574	7.6
177.05550	2.8
179.03462	11.7
179.05563	6.1
179.07034	2.9
181.01465	2.0
181.05032	2.3
181.08717	1.8
185.00880	2.7
189.05467	1.7
194.66873	1.5
195.06596	2.7
225.07645	22.9
226.06346	22.8
227.07124	37.0
237.09235	7.4
239.07007	1.9
253.08698	39.9
254.09288	6.9
255.10260	100.0
256.10535	4.7
283.15469	11.8
299.09207	6.0
301.16476	5.2
307.13898	3.4
343.08191	18.2
344.08881	1.7
387.12680	3.9
389.12512	2.1
445.20840	14.2
463.21719	5.2
464.22095	2.0
505.13351	52.3
506.13519	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	504.0006
Annotation	Unknow
Peak:m/z	Relative Intensity
57.34528	0.4
57.48126	0.4
59.01379	23.9
60.01718	1.9
61.98830	100.0
71.53006	0.5
75.39360	0.3
77.85736	0.4
93.32344	0.4
97.51503	0.4
100.25887	0.5
115.57844	0.5
157.03604	0.5
174.99219	5.5
175.24271	0.4
175.99597	1.0
177.96742	0.6
201.02533	3.0
202.02702	3.3
203.02248	3.3
204.00024	6.3
204.02661	0.9
217.00290	22.5
218.00644	6.6
219.00589	1.8
219.97746	55.3
220.99785	2.0
225.89833	0.4
239.90826	0.4
346.00900	0.7
359.01462	1.0
360.01669	6.1
361.01279	6.9
361.98663	21.3
362.99591	2.1
432.67859	0.4
439.21310	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.1877
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
60.01717	1.4
61.98834	4.5
69.03439	0.9
69.89370	4.4
71.01377	1.7
82.13194	1.4
89.02415	1.2
99.00900	1.1
122.02484	35.5
123.02863	1.3
123.94812	1.0
147.08183	3.0
161.88110	1.1
175.07596	2.2
190.06519	1.3
191.07111	1.4
203.07181	9.7
267.13763	1.1
269.23633	1.2
326.10352	2.5
345.24353	1.2
504.33130	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.281
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	1.1
59.01381	24.5
61.98830	3.7
62.79832	0.6
69.03464	0.8
71.01379	8.0
71.54960	0.6
72.99326	1.2
73.02943	3.1
74.02473	83.1
83.01392	2.0
85.02961	3.0
87.00879	1.0
87.07378	0.6
89.02460	1.2
93.04008	0.5
95.01405	0.7
99.00893	1.2
101.02464	4.5
113.02446	1.9
147.04474	0.9
149.04611	0.6
161.04649	0.8
177.05772	0.6
239.06343	0.6
254.21237	1.3
256.22794	1.0
282.20978	0.6
300.21765	1.6
385.22174	1.2
386.22690	3.5
387.23639	0.9
415.21683	0.6
444.25925	7.2
462.27103	11.1
463.27335	1.4
486.27350	1.3
504.28122	100.0
505.28284	10.2
505.34412	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2135
Annotation	Furcatoside C
Peak:m/z	Relative Intensity
57.03439	3.5
59.01382	75.2
61.98817	2.2
71.00353	3.3
71.00691	3.3
71.01386	25.1
72.99315	3.6
73.02962	14.0
78.55307	1.8
83.01392	3.8
83.05038	2.8
85.02952	10.8
87.00887	2.8
89.02438	13.7
89.13709	2.2
97.02956	2.3
99.00843	2.5
99.04519	5.4
101.02460	16.4
109.02966	2.1
113.02466	10.7
119.03490	3.4
121.06615	2.7
123.04567	10.2
123.08099	2.1
139.03983	2.6
139.07631	2.4
147.04480	2.5
149.06062	12.3
151.07637	3.9
157.05051	2.9
159.08134	4.0
161.04611	2.9
163.07657	10.8
163.61488	2.1
169.08755	2.2
175.07608	2.4
177.09247	2.4
187.07645	9.1
189.05547	6.2
197.10196	3.1
205.08754	7.4
207.06654	3.8
219.50368	1.9
223.07779	2.5
223.09781	6.0
223.11673	2.3
228.63887	2.3
253.12650	3.6
263.12744	3.3
281.14017	17.4
283.13660	5.2
297.13474	2.7
299.15015	55.4
300.15314	4.7
313.14847	2.6
373.16971	5.1
443.19073	21.3
444.19498	2.2
461.20316	48.8
462.20593	4.5
503.21329	100.0
504.21759	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	503.2498
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63131	1.1
59.01379	40.7
61.98827	6.1
67.92209	1.1
68.99788	1.3
69.03449	1.8
71.01382	11.4
71.05019	1.3
71.55917	1.3
72.99298	3.4
73.02959	9.8
74.02487	5.7
75.00845	2.1
83.04996	1.6
85.02934	4.2
85.06558	1.4
87.00851	4.5
87.04497	2.8
88.45561	1.1
89.02423	3.4
94.69783	1.3
95.01320	1.2
95.05004	1.2
95.15476	1.0
97.06571	3.4
97.72597	1.0
99.00822	1.3
99.04487	3.8
101.02447	5.6
101.06075	1.2
111.00834	2.4
113.02408	3.8
113.06026	1.7
115.03972	1.1
117.01938	1.6
123.08099	1.9
125.02428	1.8
125.06050	2.7
125.09689	4.6
127.07630	1.1
129.09247	1.7
135.02937	1.6
137.09691	1.3
141.09167	1.8
147.04443	4.2
153.09134	1.4
155.10724	1.5
161.04494	2.3
167.10570	1.3
171.10196	4.6
179.05711	1.1
179.14363	2.0
187.09660	2.2
197.11786	1.9
199.09703	1.4
201.11246	2.0
210.07596	2.0
213.11252	4.7
215.12862	20.8
241.14406	12.3
249.14780	1.6
251.16266	1.5
252.77586	1.0
261.14810	1.4
269.17444	1.3
279.15814	1.4
285.16876	1.6
297.16867	2.3
315.18079	1.4
325.19983	2.2
336.90286	1.4
355.21027	3.5
358.72507	1.2
367.21124	4.8
385.22296	100.0
386.22650	9.3
503.24860	37.0
503.32526	1.5
504.27499	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	503.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.6
56.66893	1.1
57.03441	2.2
59.01379	100.0
60.01727	1.4
61.98839	7.2
69.03450	2.6
69.48714	7.1
71.01383	33.9
72.99305	3.7
73.02946	28.4
75.00874	1.8
81.03423	2.0
83.01410	6.3
83.04982	1.8
85.02950	11.4
87.00892	4.4
89.02443	18.6
95.01386	1.9
95.05020	2.1
97.02946	2.8
98.20641	1.6
99.00880	4.5
99.04521	4.7
101.02448	25.9
105.01939	1.9
107.05030	2.0
108.02217	1.4
109.02907	1.9
109.06608	1.2
111.04527	2.3
113.02448	14.6
113.06078	2.4
116.92776	1.4
117.01991	1.3
119.03507	7.0
121.02962	3.3
121.06590	2.8
122.03696	2.1
123.04513	6.3
123.08136	1.9
125.02478	3.0
125.06092	2.4
127.04131	1.7
131.03514	2.5
133.06622	1.6
135.04550	2.8
137.05994	1.6
139.04027	1.9
139.07617	3.4
141.05592	1.2
143.03548	3.1
145.06671	1.2
147.04544	2.7
148.05363	2.8
149.04893	1.5
149.06071	10.1
151.07649	5.1
153.05550	1.5
153.09177	1.9
155.10608	1.5
157.05038	3.3
157.06461	1.1
161.04536	5.6
161.05910	2.0
163.06470	1.3
163.07664	7.9
165.05513	3.2
167.07121	4.3
177.09204	2.0
179.05586	4.0
179.07018	1.2
185.00856	1.2
187.07643	8.0
189.05547	3.2
203.10762	1.6
205.08710	7.8
207.06557	2.5
207.10114	1.7
221.08154	1.9
221.11790	4.0
223.09750	4.0
245.61366	1.2
253.45970	1.1
261.14886	1.2
263.12869	4.0
281.13870	5.9
283.13632	1.8
298.14325	1.7
299.14984	46.7
300.15411	2.0
341.16165	5.5
356.41519	1.2
373.17053	1.7
443.19189	38.5
444.19577	3.9
451.35931	1.4
461.20245	52.6
462.20584	4.3
503.14905	3.6
503.21329	72.2
504.14926	1.6
504.21542	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	503.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.9
59.01379	100.0
59.92545	0.6
60.01723	1.0
61.98829	5.4
69.03456	0.9
69.20835	6.1
71.01381	9.4
71.01731	0.9
72.99303	1.9
73.02950	4.0
74.62356	0.6
75.00886	1.2
79.66323	0.6
80.71694	0.6
83.01401	1.8
83.05064	0.9
85.02945	3.0
87.00902	2.5
89.02427	4.2
90.98599	6.0
94.57327	0.5
96.96017	1.0
97.02977	0.8
99.00891	1.2
100.58424	0.7
101.02464	4.4
109.02974	0.8
111.00901	2.1
113.02457	3.9
115.00403	0.9
119.03480	1.6
120.99662	0.7
125.02473	1.1
125.06081	0.7
125.52936	0.6
129.01961	1.2
135.02975	0.9
135.04478	0.6
139.00362	0.8
147.04524	6.7
149.02348	0.7
151.00458	0.7
161.04593	1.0
165.01935	1.9
169.01460	0.7
183.03088	0.7
185.00903	0.7
201.11385	0.7
210.06892	4.1
211.02550	1.4
225.09328	3.0
237.09346	0.7
238.10043	2.6
241.14493	1.0
267.66336	0.7
271.02542	0.6
281.17636	1.9
297.11414	1.0
299.15182	0.7
301.03638	1.3
305.06625	0.9
313.03561	0.8
356.05582	3.1
357.06287	1.6
359.07928	0.8
385.18600	2.3
385.22812	3.3
417.08441	1.6
443.23355	1.2
459.22946	0.8
503.12643	2.2
503.16479	2.8
503.25290	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	503.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20115	1.0
57.03450	1.7
58.00593	1.7
58.10168	1.2
59.01381	100.0
61.98829	4.5
68.67453	1.0
69.62136	6.9
71.01385	29.3
72.99297	3.2
73.02951	5.3
81.03451	1.7
81.98738	1.3
81.99212	1.2
83.01392	2.8
85.02946	6.5
87.00879	5.4
89.02448	27.3
95.01394	2.3
97.02956	1.4
99.00867	2.6
99.04519	4.3
101.02448	12.8
109.02940	1.6
111.00903	4.5
113.02464	10.6
119.03500	8.4
121.02936	1.8
125.02384	1.6
129.01932	1.6
131.03517	1.6
135.02988	2.0
138.71124	1.3
139.00320	1.5
143.03470	2.2
147.04544	13.4
149.04568	2.3
161.04550	4.1
165.01920	4.1
175.07626	1.8
179.05531	5.5
183.03017	2.3
211.02501	2.4
211.07642	8.1
238.09973	8.5
239.10454	1.5
253.12289	6.7
281.13968	15.8
293.13977	3.0
305.06387	1.5
323.09113	2.2
359.07571	5.5
371.20676	1.5
385.22250	8.4
417.08264	4.5
441.25635	1.8
470.00116	1.2
503.15536	2.4
503.25449	20.5
504.26611	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09733	2.0
53.37880	1.6
55.98895	1.7
56.74654	1.6
57.90942	1.5
59.01381	100.0
59.50484	1.7
61.98835	10.3
69.03433	2.9
69.24843	10.3
69.25265	7.8
71.01007	2.6
71.01384	44.0
72.99297	3.7
73.02948	67.2
75.00854	2.3
81.03445	2.2
83.01394	16.3
85.02948	7.3
87.00885	4.4
89.02449	22.7
98.19845	4.2
99.00864	3.1
101.02441	49.3
106.06590	3.1
108.02158	6.7
113.02448	15.2
119.03524	3.2
119.04954	2.4
123.04489	2.3
127.64578	1.6
131.03471	7.5
134.03755	10.8
135.04503	3.1
137.06097	11.2
143.03531	3.8
147.04533	13.5
149.04546	11.5
149.06018	4.3
159.04489	4.3
161.04579	13.6
173.06010	4.6
175.07643	48.6
176.07974	2.1
177.05525	2.5
178.02699	2.1
179.10742	2.7
191.05580	4.1
191.07137	6.1
192.07965	13.4
193.05025	7.8
193.08701	88.6
194.09076	3.5
203.05708	2.0
205.08649	3.8
210.06853	20.4
223.09747	3.6
225.09195	20.0
237.09216	2.0
238.09985	7.1
241.10767	6.3
249.66389	1.9
251.12970	3.8
253.12335	6.9
269.13947	7.7
270.44632	1.9
279.44577	2.0
281.13852	4.1
297.11197	2.8
385.21887	2.7
445.17075	9.7
503.15277	25.3
503.21335	58.1
504.15280	5.0
504.21878	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	503.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57586	1.2
55.01863	1.9
55.67184	1.3
57.03441	2.4
58.00606	1.4
58.14288	1.1
59.01381	85.7
60.83117	1.3
61.98824	7.2
68.33175	1.5
69.03442	3.7
69.34138	10.9
71.01010	1.9
71.01382	30.3
72.99297	4.6
73.02946	22.0
75.00860	2.2
76.16218	1.3
83.01377	6.3
83.05016	2.2
85.02949	9.8
87.00872	4.1
89.02443	13.6
93.03451	1.4
95.01363	1.8
95.04993	1.7
97.02922	3.8
97.06614	1.5
99.00880	5.1
99.04530	6.0
100.89373	1.2
101.02445	18.8
105.01943	3.4
107.04987	1.2
109.02914	2.8
111.04523	3.6
113.02438	8.7
113.06102	1.9
119.03495	4.3
119.05069	1.3
121.02953	2.5
121.06577	2.1
122.03754	1.5
123.04561	5.9
123.08170	2.2
125.02437	2.4
125.06118	1.6
134.80861	1.2
135.03003	1.2
135.08176	1.8
137.06081	1.6
138.03151	1.5
139.00319	1.5
139.04015	1.7
139.07631	2.6
143.03424	2.2
147.04463	3.1
148.05276	4.0
149.06075	13.5
151.07620	7.7
157.05081	3.0
161.04550	4.4
161.05956	2.2
163.07648	21.9
165.05525	2.3
165.09351	1.3
167.07153	2.1
177.09253	1.5
179.05641	1.6
179.07079	1.7
185.01015	1.6
187.07675	8.2
189.05556	6.7
203.10803	1.6
205.08730	7.1
207.06616	4.7
207.10234	1.3
221.11690	2.1
223.09782	5.6
263.12817	2.5
268.90152	1.3
281.13925	5.5
283.13660	1.7
298.14188	13.9
299.14972	57.5
300.15289	4.6
323.14880	1.9
335.15485	1.4
341.15985	1.5
373.16699	1.9
443.19205	22.3
444.19336	2.5
444.62363	1.9
459.18939	2.2
461.20303	37.2
462.20331	2.3
503.21313	100.0
504.21619	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	502.2938
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.1
59.01381	1.2
61.98818	0.1
62.96414	0.1
63.96432	0.1
71.01394	0.4
71.09598	0.2
78.95903	28.8
83.05032	0.2
84.42033	0.1
91.61782	0.1
94.93699	0.1
96.96969	0.4
103.64163	0.1
104.97466	0.1
122.98486	0.2
127.07637	0.2
134.98544	0.2
152.99588	3.1
164.11545	0.1
168.04305	3.9
224.06921	11.4
225.07213	0.3
233.22673	0.3
242.07990	2.8
259.20700	0.5
275.20145	0.4
277.21704	100.0
278.22049	7.5
372.90527	0.1
382.42020	0.1
413.21024	0.1
433.65829	0.1
502.29373	24.5
503.29440	2.7
519.39325	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	503.1559
Annotation	Umbilicaxanthoside A
Peak:m/z	Relative Intensity
53.01719	0.3
54.41829	0.4
55.01861	0.5
57.03434	0.9
59.01380	13.7
61.17104	0.3
61.98819	1.2
63.47636	0.3
68.99801	0.5
71.01385	6.2
71.55407	0.4
72.99287	0.9
73.02954	2.9
75.07174	0.3
83.01389	1.0
85.02955	2.9
87.00856	0.8
89.02451	2.3
96.99313	2.9
99.00896	0.7
101.02451	3.8
108.01562	0.5
108.02184	5.2
109.36272	0.3
111.00882	0.6
113.02473	2.0
115.00341	1.0
115.05550	1.6
117.07104	0.5
119.03481	0.8
119.04984	1.0
121.02924	0.9
123.04548	5.1
125.02456	0.6
130.08742	6.2
131.09029	1.0
134.03745	6.7
135.02979	1.2
135.03917	0.3
137.02443	0.6
139.00363	0.8
143.05026	1.0
143.50539	0.4
145.02956	2.2
146.03781	1.8
147.04538	7.1
149.02477	0.6
149.06108	2.0
150.03180	0.4
155.62993	0.3
157.01416	0.4
158.03746	1.3
159.04512	1.9
160.05289	1.0
161.04529	1.0
161.06075	1.7
163.04129	0.4
165.05539	1.6
173.02480	0.4
173.06053	1.1
178.02708	1.1
179.10716	1.0
181.10277	0.5
187.03934	0.6
188.04825	0.3
191.08614	0.6
192.04286	0.6
193.05055	4.8
193.10257	0.8
195.06639	0.4
197.09720	0.6
206.05843	0.6
207.08128	1.0
209.09717	1.1
210.06857	16.7
211.07208	1.0
217.01524	0.5
219.08215	3.0
221.09717	1.0
222.06863	3.0
223.07599	0.8
223.09694	0.4
225.09224	9.4
226.06425	1.1
226.09340	0.6
232.03741	0.6
233.09741	0.4
234.06866	1.4
235.07634	12.3
236.08415	18.5
237.09175	13.2
238.09975	9.1
239.10310	1.0
247.07579	0.9
249.09187	1.5
251.10779	14.2
252.11166	2.2
253.12341	7.1
254.12622	0.9
263.07153	6.7
264.07895	8.5
265.08377	0.8
277.08673	0.4
278.09467	2.7
279.07132	0.6
279.10272	8.7
280.10693	0.4
281.17285	0.4
297.11288	0.9
301.10889	0.7
307.06079	2.7
322.08563	2.1
323.09116	3.4
341.10260	1.1
341.16226	1.6
371.20660	1.7
383.09216	0.4
385.22281	1.0
457.45551	0.4
461.24036	0.8
485.14291	1.0
502.26498	1.6
503.15582	100.0
503.25064	9.5
504.15973	11.7
504.24399	0.6
504.25742	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46560	0.4
59.01379	100.0
60.01695	0.5
61.98837	1.1
69.72749	2.6
70.69585	0.6
71.01379	3.2
73.02950	1.1
77.09613	0.5
82.92587	0.5
83.01408	0.5
85.02962	0.8
88.80872	0.5
89.02442	1.1
98.19865	0.5
101.02464	2.2
103.31393	0.4
112.40483	0.5
113.02445	1.2
159.02983	0.5
161.04547	0.7
201.67522	0.5
381.22769	0.7
385.82492	0.5
399.23837	5.4
441.25165	2.2
442.25903	0.7
443.23434	0.7
501.32278	6.8
502.32407	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.3374
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85213	0.5
60.45684	0.5
67.23887	0.4
67.38866	0.5
69.94861	0.7
69.95140	2.2
91.11094	0.4
102.31553	0.5
104.44265	0.5
107.77248	0.4
133.06667	0.6
149.09718	28.9
150.10030	0.9
159.45287	0.5
163.11279	100.0
164.11621	3.5
191.06816	0.5
278.55234	0.5
314.41876	0.5
321.18628	0.5
325.21695	25.5
326.22137	2.9
337.21704	13.2
338.22021	0.7
371.20883	0.5
375.88708	0.5
501.33725	87.0
502.34058	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	502.2658
Annotation	Unknow
Peak:m/z	Relative Intensity
54.89605	1.7
59.01388	2.3
61.98831	100.0
63.74942	1.6
67.38326	1.8
95.60082	1.6
98.19843	3.1
99.80524	1.7
141.27956	2.1
195.07841	1.7
246.97041	1.7
305.24710	3.7
365.07440	1.8
502.32135	1.7
503.33508	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	502.294
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01104	0.1
59.01379	0.9
59.98537	0.0
61.98841	0.0
62.96429	0.0
65.65581	0.0
69.97471	0.1
71.01370	0.2
78.95901	7.8
83.05016	0.2
96.96944	0.1
97.06613	0.1
99.04544	0.0
99.99541	0.0
113.06107	0.1
115.24111	0.0
122.98610	0.1
127.07639	0.2
141.09177	0.0
152.99574	0.7
168.04305	1.8
169.04671	0.0
171.00656	0.1
182.13185	0.1
205.19560	0.1
208.14587	0.1
224.06905	1.4
225.07190	0.0
233.15050	0.0
233.22758	0.3
234.23085	0.1
242.07977	3.2
243.08319	0.1
250.97549	0.0
259.20663	0.5
275.20087	0.4
277.21698	100.0
278.22037	7.6
502.29385	5.9
502.37347	0.1
503.29572	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.0264
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30150	0.4
59.01379	78.1
60.01715	0.6
69.37128	3.9
69.74582	0.4
90.97152	1.2
98.19853	0.8
115.68261	0.4
118.96670	0.5
132.98155	1.2
134.97150	0.6
134.98146	0.5
145.71002	0.4
153.75781	0.4
157.03590	4.0
159.01544	0.9
174.99236	22.2
175.99605	0.5
201.02544	33.1
202.02657	2.5
217.00291	100.0
218.00616	3.0
343.03497	2.3
344.04086	0.5
353.30853	0.5
359.01465	58.9
360.01633	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.125
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	3.1
56.06340	1.9
57.03448	10.4
59.01380	79.1
61.98831	35.9
69.03452	6.3
69.84475	11.0
71.01378	21.1
72.99305	77.7
73.02947	8.6
75.00871	3.2
78.66171	2.2
79.95727	2.4
80.21902	2.1
83.01333	2.2
85.02955	10.7
87.00864	9.4
89.02454	14.1
96.96004	8.4
99.00880	17.2
101.02454	6.4
111.00919	2.3
113.02464	6.0
115.00373	3.0
117.01948	58.8
119.03534	3.0
119.05025	20.3
127.00388	4.4
129.01936	5.8
135.02989	8.8
135.04530	7.9
139.07703	2.3
153.49072	2.1
163.04005	14.0
164.04466	2.5
165.05576	100.0
166.05917	4.7
173.00914	20.6
185.00954	5.2
217.12317	2.7
221.01299	3.8
237.09114	3.4
239.10799	2.6
255.10303	3.1
279.12411	2.3
283.08179	30.4
284.08398	3.2
303.03629	2.0
327.08734	27.3
501.17200	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	501.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86715	1.7
55.31954	1.5
59.01381	100.0
68.45511	1.5
69.48454	12.4
71.01380	3.0
73.02944	1.9
81.82681	1.6
85.71291	1.7
100.82458	1.6
101.02430	4.4
103.00378	19.0
113.02449	2.4
161.04565	4.1
163.35548	1.7
177.43828	1.9
199.76329	1.7
353.19730	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	501.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
60.01714	0.9
61.98835	1.3
66.99310	0.3
69.64542	0.3
71.01375	2.5
72.99320	0.7
75.00890	0.4
83.01385	0.5
85.02950	1.0
87.00842	0.5
89.02469	0.9
90.98611	0.6
98.20651	1.2
101.02459	1.0
101.95638	0.4
102.70644	0.4
105.01941	3.4
111.00874	0.8
113.02500	1.1
133.19518	0.4
135.02992	1.0
143.88843	0.4
147.04521	0.8
161.04523	0.4
177.01918	0.6
186.28633	0.5
232.99178	0.4
295.09854	1.3
303.33737	0.4
303.69653	0.4
343.13623	0.5
399.24136	0.7
501.30142	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.3067
Annotation	6alpha-Hydroxylup-20(29)-en-3-oxo-27,28-dioic acid
Peak:m/z	Relative Intensity
55.14202	0.9
59.01377	1.2
61.98834	1.5
71.54736	1.0
85.02935	1.6
107.79518	0.8
195.13954	1.6
211.13319	1.4
211.94530	0.7
320.52109	0.8
325.25424	1.2
344.19861	0.8
400.26602	0.8
407.29822	1.3
410.58713	0.8
425.29178	1.3
437.30582	100.0
438.30878	13.4
453.29849	1.3
455.31580	8.2
456.32037	1.2
499.30698	96.9
500.31003	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	500.199
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01103	0.6
59.01381	7.1
61.98832	100.0
67.13384	0.3
69.76583	0.6
69.76981	1.6
71.01389	1.1
73.02946	0.5
80.69798	0.3
82.71950	0.3
85.02957	0.8
87.00877	0.5
87.11044	0.4
89.02456	0.5
89.35358	0.4
101.02426	0.8
103.00345	0.6
110.52512	0.3
113.02449	0.4
136.05264	0.5
191.14520	0.3
212.69673	0.3
229.47156	0.3
339.14801	0.5
379.00751	0.4
500.19373	0.3
500.26529	0.6
501.17700	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.224
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81804	0.4
55.01874	0.8
57.03445	2.3
58.00603	0.8
59.01384	15.6
61.98828	4.6
69.03453	0.8
70.23904	0.8
70.24296	0.9
71.01384	12.6
72.99311	1.9
73.02947	2.6
74.31701	0.5
75.00874	3.2
83.01416	2.3
85.02954	4.2
87.00881	1.6
89.02443	5.2
95.01398	1.2
97.02937	0.5
99.00894	1.5
101.02449	7.9
105.91895	0.5
108.38728	0.5
112.01632	0.5
113.02446	4.4
117.01944	0.7
119.03512	1.7
119.05035	1.2
120.07904	0.5
121.05536	0.4
123.04595	0.6
125.02428	0.7
127.00464	0.6
127.11302	6.1
129.01903	0.8
130.80196	0.5
135.02975	2.5
149.02411	0.6
150.03241	2.4
151.04016	1.5
163.04002	2.4
165.05606	2.1
166.05048	0.7
168.75240	0.4
169.12381	0.6
171.10294	2.1
181.05029	1.5
187.09781	1.1
195.06691	0.7
198.66391	0.6
199.13358	3.9
210.04018	0.8
217.14439	38.3
218.14749	2.0
361.10889	0.6
361.18704	3.2
365.18027	0.7
372.09332	0.5
379.19705	100.0
380.20065	8.6
497.22366	55.0
498.22745	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	499.1455
Annotation	kn-93
Peak:m/z	Relative Intensity
53.52734	0.6
57.03457	1.2
59.01379	3.6
60.99311	3.8
61.98833	4.3
67.01888	9.5
69.03455	3.4
71.01382	3.7
71.54927	0.8
72.21068	0.6
72.99312	1.0
73.02959	0.8
74.99094	0.8
75.00876	0.8
81.03468	1.9
83.01414	0.6
83.05032	1.0
85.02950	4.8
87.00349	0.9
87.00877	14.2
89.02483	0.8
93.03459	70.7
94.03812	2.0
96.96017	1.2
96.96996	0.6
97.02981	0.6
99.00918	0.7
101.02442	1.3
109.02983	1.6
111.04521	10.2
113.02440	1.6
117.01895	0.5
119.05030	32.0
120.05415	0.9
121.02977	0.6
127.03996	1.1
129.01952	1.6
136.99146	0.6
143.03592	0.8
145.02960	2.0
153.01918	1.2
155.03508	2.3
159.46857	0.7
163.04008	22.9
173.04552	19.4
191.05609	85.5
192.05969	2.4
337.09271	13.5
338.09625	1.4
379.10229	2.4
388.52728	0.7
454.49094	0.6
499.14499	100.0
500.14841	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	499.1956
Annotation	Verrucarin M
Peak:m/z	Relative Intensity
55.84067	2.7
59.01384	24.5
61.79281	2.8
61.98831	100.0
62.22844	2.5
62.89394	2.9
67.79274	2.6
69.03448	5.8
69.17477	28.4
71.01374	19.8
72.99307	5.0
73.02951	5.7
83.01389	5.9
85.02950	9.4
87.00857	12.7
89.02460	5.6
92.23660	2.8
95.01427	2.8
97.02880	3.1
98.20674	7.0
101.02446	9.8
105.01933	4.8
113.02422	6.1
117.48251	2.7
134.03738	19.8
139.06604	2.8
142.99820	3.2
161.04570	4.0
185.00836	2.8
193.05020	26.1
229.91534	3.4
281.06656	17.0
463.22000	26.2
499.19452	30.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.255
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41286	0.4
57.49743	0.4
59.01380	100.0
60.01714	0.7
61.98829	1.8
67.05256	0.4
71.01382	2.3
71.55971	0.9
73.02940	0.7
74.12425	0.4
76.61693	0.4
77.18158	0.4
85.02982	0.6
86.51651	0.4
87.61655	0.4
89.02454	0.5
101.02464	1.4
103.04654	0.4
112.26193	0.4
113.02478	0.8
153.71478	0.4
158.69543	0.4
161.04639	0.5
397.22443	0.8
455.23196	1.0
499.26147	0.6
503.59937	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2913
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
61.98825	2.2
66.26147	1.1
69.97588	4.0
70.31638	1.0
71.01382	5.3
78.55367	0.9
79.64825	1.0
85.02924	1.3
89.02428	2.1
90.90594	1.0
95.01425	1.3
98.19926	1.6
101.02434	3.2
113.02453	6.0
119.03500	1.1
161.04596	1.6
205.16019	1.2
209.11908	1.8
277.21719	87.4
278.22073	7.6
291.23318	1.2
293.17886	1.1
426.74045	1.1
432.86411	1.0
499.30798	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	497.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	4.6
59.01382	100.0
61.98532	4.7
61.98832	76.1
63.99260	2.4
69.42191	9.0
69.42616	10.6
71.01387	34.8
72.99299	7.7
73.02943	19.9
83.01383	6.4
83.05025	2.8
85.02937	16.3
87.00874	10.6
89.02466	13.4
93.03470	4.6
95.01355	3.8
99.00889	4.5
101.02450	17.4
113.02465	15.4
115.00369	4.9
119.03458	3.5
119.05029	3.6
125.02444	3.9
137.02467	3.8
147.04544	41.3
160.58298	2.9
161.04491	5.1
180.87189	2.4
205.38400	2.7
249.14914	10.2
311.09201	7.1
335.22162	6.7
393.19260	7.2
411.20245	47.2
412.21167	3.3
434.25290	2.6
435.75061	2.7
437.25681	3.3
453.21240	69.7
454.21661	12.3
497.22189	3.6
497.28278	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	497.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01896	2.1
57.03453	3.3
59.01381	96.2
61.27078	2.3
61.98832	36.8
71.01385	30.6
72.99306	16.4
73.02943	13.7
75.60806	1.9
83.01382	6.1
85.02950	12.5
87.00876	19.1
89.02448	7.4
93.03456	5.1
95.01367	2.6
97.02979	2.2
97.45367	2.1
98.19752	3.4
99.00906	6.1
101.02437	19.0
102.98624	2.8
109.02968	2.2
111.00880	2.5
113.02442	13.4
115.00369	7.4
119.03512	3.3
119.05022	4.8
125.02428	3.3
127.00368	3.0
129.01941	2.5
139.00381	3.4
147.04524	100.0
148.04881	3.9
177.20334	2.3
195.08157	3.2
203.14465	2.2
213.02541	2.4
231.13942	6.5
249.09244	2.4
249.14973	19.5
311.09277	17.9
329.06317	2.6
393.19229	10.0
411.20270	48.1
412.20444	5.1
437.25623	3.9
453.21313	90.2
454.21643	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	497.1302
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.8
59.01378	22.4
61.98823	2.3
62.88305	0.5
68.99805	0.6
71.01381	6.1
72.99298	2.0
73.02955	1.0
83.01379	1.4
85.02949	1.2
87.00877	18.3
89.02454	1.9
95.01427	0.5
96.99301	0.6
98.19926	1.3
99.00887	3.5
101.02431	2.6
103.05527	2.8
111.00883	1.1
113.02446	2.3
115.00346	1.0
117.01939	1.8
119.03490	0.7
119.05022	1.7
127.00335	0.7
129.01923	1.7
139.00391	1.3
147.04521	100.0
148.04848	4.4
161.06061	0.6
166.99866	0.8
171.02957	0.6
205.69395	0.5
241.27960	0.6
311.09286	1.1
365.34799	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.13
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.5
59.01379	10.6
61.18638	0.5
61.98816	0.5
67.01879	0.6
69.18750	5.0
71.01379	5.9
72.99290	3.2
73.02922	0.7
74.41982	0.5
80.76765	0.4
83.01388	1.7
85.02935	1.1
87.00878	23.2
89.02450	1.1
96.99287	1.0
98.20605	1.0
99.00875	6.1
101.02451	1.6
103.05520	3.0
111.00906	1.7
113.02449	2.4
114.45925	0.4
117.01935	2.3
119.05009	1.8
127.00370	0.9
129.01938	1.7
139.00385	1.3
141.02002	0.8
142.99873	1.0
147.04530	100.0
148.04846	3.4
154.99812	0.7
161.04567	0.6
161.06073	1.3
175.94812	0.5
265.34134	0.5
278.37750	0.5
285.02484	0.7
293.57813	0.5
322.76978	0.5
351.94739	0.5
497.23230	0.6
499.93933	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.203
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	1.7
58.06392	1.5
58.61436	1.5
59.01378	100.0
61.98824	10.7
71.01385	19.2
71.51424	2.8
72.99284	2.2
73.02943	12.8
83.01388	4.5
85.02944	7.1
87.00871	1.9
89.02438	6.4
101.02442	14.9
113.02438	6.5
119.03477	2.7
123.52219	1.5
125.02457	2.7
131.03517	2.1
147.04512	3.0
149.04576	2.1
157.14558	1.5
161.04512	3.2
162.37131	1.5
164.16843	1.4
231.13864	24.7
232.14105	1.4
271.30637	1.5
293.04507	3.5
295.06345	1.7
305.19666	5.9
311.47861	1.6
321.04019	7.2
322.04626	2.1
350.04141	5.7
351.05081	14.4
437.23795	10.9
453.21103	5.7
497.10516	3.2
497.27161	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2728
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52441	1.7
56.27608	1.9
61.98841	2.3
66.26999	1.7
71.54370	2.2
78.95902	44.3
96.96980	3.3
152.98383	3.1
152.99594	58.6
162.89311	2.2
171.00644	20.6
227.03104	2.6
245.04315	100.0
246.04633	3.3
251.93771	2.3
267.23279	60.4
268.23697	4.6
307.66235	1.9
313.83792	1.9
351.10806	1.8
495.27109	35.1
496.27646	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	496.0732
Annotation	Unknow
Peak:m/z	Relative Intensity
56.07921	1.9
59.01358	2.0
60.34697	1.8
60.72486	1.9
61.98827	40.5
69.59850	13.8
98.19891	3.8
121.02937	2.6
127.69616	2.1
151.00328	5.6
178.99686	2.6
243.02905	7.8
255.02971	22.2
256.03510	2.1
271.02460	43.8
272.02875	3.1
300.02731	80.9
301.03458	19.3
433.07709	100.0
434.08047	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	496.1098
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	1.4
59.80338	0.3
61.98829	100.0
69.61756	1.8
71.01389	0.9
75.00871	1.0
89.02448	0.6
92.92210	0.3
101.02480	0.5
113.02465	0.5
160.41759	0.3
173.26143	0.4
291.66580	0.3
454.51566	0.4
495.31842	1.0
496.32199	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1303
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32594	0.6
55.01879	0.6
57.03431	0.9
59.01381	31.0
61.98831	14.3
65.42332	0.5
68.99810	1.0
69.03457	0.7
71.01377	9.1
71.56038	1.0
72.99315	12.9
73.02950	2.5
75.00889	0.9
78.32961	0.6
83.01392	1.5
83.05032	0.8
85.02956	3.0
87.00877	18.0
89.02445	3.3
99.00906	3.7
101.02441	4.5
103.05514	1.2
111.00846	1.2
113.02454	2.5
117.01939	1.7
119.03573	0.7
119.05033	1.9
125.02441	0.8
127.00377	0.9
129.01924	1.2
139.00313	0.7
142.99821	0.8
147.04524	100.0
148.04890	3.7
161.04579	0.6
171.02861	0.7
196.65930	0.7
249.09221	1.2
251.73431	0.7
311.09137	2.3
351.27194	0.6
377.21912	1.5
378.22235	3.2
379.22412	2.2
445.12500	0.7
461.11105	0.8
497.25226	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	494.1515
Annotation	Unknow
Peak:m/z	Relative Intensity
58.57019	0.3
59.01103	0.5
59.01377	5.5
61.98830	100.0
62.98538	0.8
63.99255	3.4
71.01378	2.1
71.54758	0.3
71.90573	0.3
72.99323	0.3
73.02948	0.6
83.01387	0.3
84.72329	0.3
85.02970	1.0
86.30170	0.2
88.98811	1.2
89.02454	1.2
98.69991	0.3
101.02434	1.5
113.02460	0.8
135.02991	0.5
161.04608	0.8
167.03560	0.2
203.68655	0.2
207.77994	0.3
233.60107	0.2
299.55908	0.3
377.18002	0.4
433.24463	1.8
434.24780	3.1
494.14825	0.4
495.15442	0.3
495.25009	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.1518
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	3.6
60.01735	0.3
61.98831	100.0
62.98540	0.9
63.99252	5.2
69.47184	2.0
71.01392	1.7
73.02947	0.4
85.02948	0.6
86.25013	0.2
88.98838	0.8
89.02457	0.9
95.96451	0.3
98.19885	0.3
101.02468	1.2
113.02465	0.4
115.29258	0.3
119.03522	0.4
121.06595	0.8
135.03073	0.3
154.96626	0.3
161.04549	0.6
419.01169	0.3
433.24686	1.2
434.24686	1.8
454.47397	0.3
494.17532	0.5
495.16873	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.2246
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73896	0.4
52.84363	0.3
54.59486	0.3
59.01380	3.6
61.98832	100.0
65.17025	0.3
66.91938	0.4
71.01391	1.6
71.55206	0.4
73.02947	0.9
73.95908	0.3
75.00851	0.5
87.00938	0.5
89.02459	0.5
99.00924	0.5
101.02443	0.7
113.02472	0.7
119.05008	0.6
147.04482	0.4
161.04610	0.4
296.12198	0.4
311.09369	0.7
376.20767	0.7
376.28030	1.0
392.27399	0.5
431.09982	0.7
494.30896	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1729
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	68.1
60.99282	5.9
61.98536	7.2
61.98830	100.0
69.63476	12.1
69.63881	9.5
71.01376	34.1
72.99294	6.3
73.02935	14.5
74.99086	3.8
75.00874	10.3
80.05066	18.3
83.01380	6.8
85.02948	10.5
87.00870	5.6
88.98811	40.6
89.02452	34.0
101.02416	22.4
113.02445	13.5
119.03467	8.2
134.06119	7.9
135.02957	8.4
135.04538	6.5
135.41469	3.6
136.04071	4.6
136.99104	5.3
137.32213	4.8
143.07230	4.1
161.04495	6.2
161.08235	8.0
164.03516	4.2
165.01878	5.3
167.03513	6.4
195.06621	5.2
214.02592	4.1
227.12001	3.7
235.90685	4.2
271.10974	4.9
287.10315	12.5
287.57629	3.8
331.09351	7.8
358.72833	4.1
363.11938	8.7
363.16187	4.8
377.18118	29.1
378.18286	6.9
407.18204	4.0
436.03842	4.2
437.14423	11.0
451.17142	7.8
477.06342	4.3
495.16159	36.9
495.24475	43.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1997
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	2.9
59.01381	100.0
61.98832	45.9
62.86410	2.7
71.01376	24.9
71.56123	5.3
72.99317	7.3
73.02953	7.1
75.00854	11.7
80.42384	2.5
85.02946	11.3
87.00869	5.1
89.02442	12.6
92.13371	2.9
98.44343	2.8
101.02444	13.9
113.02448	8.9
119.05030	3.8
125.02513	3.3
161.04553	3.8
163.04036	3.6
225.13405	2.8
314.56091	2.9
363.19913	6.3
373.22409	6.4
377.25296	5.6
415.23309	3.1
495.27405	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.3454
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	27.1
71.29655	27.4
96.95969	15.3
137.09811	16.5
154.65329	17.4
194.74480	16.1
391.60495	18.0
457.36832	100.0
493.35202	33.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.0941
Annotation	Unknow
Peak:m/z	Relative Intensity
57.41633	0.3
59.01367	0.8
61.98829	100.0
64.60999	0.2
69.24165	0.5
69.24569	1.8
69.27432	0.2
73.02966	0.2
73.06882	0.3
77.96620	0.2
82.38365	0.2
82.64178	0.2
86.82722	0.2
102.10022	0.2
102.73292	0.2
103.72052	0.2
163.00438	0.3
187.04146	0.2
227.03484	6.3
228.03893	0.4
229.05185	0.9
254.48126	0.2
255.02963	7.6
256.03525	0.9
257.04535	0.5
284.03253	10.5
285.04025	8.2
286.04404	0.7
431.09805	16.9
432.10242	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	494.094
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68420	0.7
51.19518	0.6
55.13470	0.6
55.39939	0.5
59.01378	6.6
61.98830	100.0
64.19696	0.6
69.41175	3.4
71.01395	1.7
73.02955	0.6
88.78546	0.6
101.02436	1.3
113.02431	0.9
135.64229	0.5
141.09196	0.7
147.04500	0.6
154.76654	0.5
209.57825	0.6
253.43742	0.7
285.04105	0.9
375.27515	4.4
376.27966	2.7
431.09976	1.5
483.05740	0.7
493.30817	1.9
516.19525	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
55.73321	0.9
59.01377	37.1
61.98829	100.0
71.01387	8.9
72.99315	1.1
73.02954	4.5
75.00869	1.6
83.01387	3.1
83.84064	0.9
85.02962	4.1
87.00887	1.9
89.02444	3.6
93.03470	1.1
96.75121	0.9
101.02417	9.0
111.00897	1.2
113.02441	3.4
119.05046	2.2
121.02989	1.1
133.06580	1.6
139.59593	1.0
151.04030	1.0
163.06177	2.4
181.07225	7.0
181.10164	5.0
195.08005	1.2
195.11833	3.3
197.13338	9.8
198.13762	1.3
199.17368	1.1
211.11243	1.3
221.09778	1.6
223.11259	8.7
225.09206	53.7
226.09537	4.7
241.12329	26.4
242.12759	1.8
285.11334	11.9
375.20328	4.6
375.27444	6.1
391.27225	6.6
431.57785	1.0
433.23975	2.0
449.18115	12.7
450.18533	1.9
493.17227	37.1
493.24014	1.5
493.30627	7.6
494.17804	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	493.266
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98497	1.2
55.01863	1.8
57.03434	2.7
58.00568	1.8
59.01379	100.0
60.01696	2.3
61.01785	1.6
61.98832	72.4
63.96224	1.3
68.95544	1.1
69.03452	1.2
71.01009	2.0
71.01386	35.4
71.05009	1.1
72.99306	5.2
73.02954	10.7
74.99106	1.3
75.00471	1.5
75.00872	18.2
78.75146	1.0
81.03465	1.3
83.01382	3.5
83.05031	1.6
85.02952	11.6
87.00884	6.6
87.04494	2.1
88.98765	1.2
89.02443	28.7
95.01398	2.0
96.95997	2.0
97.02990	2.5
99.00874	3.8
99.04524	1.6
101.02441	22.4
101.06071	1.4
105.01942	2.1
108.77451	1.1
111.00883	1.2
113.02454	15.2
119.03515	10.6
122.03758	1.4
123.04527	1.8
124.07677	2.6
125.02393	1.9
131.03523	1.7
132.04565	16.0
133.05333	10.9
134.03700	3.1
134.06111	2.2
135.02985	2.0
135.04567	1.5
135.98338	2.7
136.99127	1.6
137.02425	1.8
143.03488	3.2
149.06104	1.3
150.03207	4.0
150.05637	1.3
151.04044	5.3
155.10751	4.2
161.04573	9.1
164.04805	1.3
165.02054	1.2
165.04216	11.2
165.05586	5.3
177.04117	1.2
178.05034	1.3
179.05597	7.9
181.04997	3.2
184.07600	1.4
193.05083	5.2
195.06610	2.2
199.09734	3.9
209.03197	2.1
214.12302	3.0
215.11859	3.8
221.06496	2.1
229.09853	1.6
241.09650	1.1
257.12988	12.3
271.19110	2.9
283.10922	4.0
301.11993	13.7
331.17419	2.6
332.07813	2.5
345.10880	36.3
346.11035	2.2
433.24316	52.1
434.24496	3.9
449.15652	2.0
464.51941	1.2
493.14175	20.0
493.23279	6.1
493.30310	19.8
494.14850	1.2
494.30695	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2087
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37321	0.4
53.60704	0.5
57.03463	0.9
59.01375	9.6
60.01715	0.8
61.98830	100.0
70.51379	1.2
71.01386	3.4
72.99329	1.1
73.02950	1.3
75.00902	0.6
83.01386	0.9
85.02962	1.5
87.00872	0.8
89.02455	1.5
99.00879	0.6
101.02431	2.3
113.02451	1.4
119.03527	0.7
121.02991	0.5
147.04594	0.8
161.04559	0.6
178.99918	0.7
225.09143	0.7
255.03070	0.7
256.03479	0.7
269.17596	0.7
270.17941	1.2
271.02753	1.4
272.02859	2.6
283.02484	1.1
284.02951	1.2
300.02515	0.9
328.02341	2.1
329.02667	7.7
330.03226	4.5
331.03036	0.5
374.26334	0.6
375.27487	4.9
429.21603	0.7
433.23886	0.8
492.08670	6.6
492.30487	1.9
493.16940	0.6
493.30374	1.9
519.86359	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52040	0.5
52.83641	0.4
59.01379	8.1
61.98829	100.0
69.04135	0.5
69.20129	1.6
69.20549	3.4
71.01376	4.8
72.99326	0.6
73.02959	0.9
73.04546	0.4
74.02466	0.9
75.00871	0.7
83.01409	0.6
85.02957	1.5
87.00893	1.5
89.02463	2.1
101.02451	2.8
113.02475	2.0
119.03530	0.8
119.05009	0.5
161.04552	0.9
162.51945	0.5
162.53494	0.5
225.09192	0.6
239.01239	0.6
241.33862	0.5
295.09711	2.3
297.15103	0.8
297.53995	0.5
298.15411	0.9
337.10757	1.3
362.15051	1.0
492.28375	2.3
493.16766	0.5
493.26630	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2087
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	9.2
60.99313	0.7
61.98831	100.0
63.62658	0.3
69.79133	2.0
71.01390	2.7
73.02946	0.7
74.51443	0.4
85.02946	0.7
87.00883	0.7
87.14335	0.3
88.98830	1.7
89.02454	1.7
98.57713	0.4
99.00920	0.7
101.02464	1.4
107.90037	0.3
113.02461	1.0
119.03475	0.8
125.34554	0.4
161.04558	0.9
166.05046	0.8
179.05589	0.4
191.18182	0.4
196.84131	0.4
197.68752	0.4
295.99213	0.4
415.27350	0.4
432.23282	1.5
433.24689	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2086
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	2.3
61.98829	100.0
69.51131	2.4
71.01399	0.8
72.51878	0.3
73.02944	0.4
85.02968	0.4
92.27922	0.3
98.20667	0.4
101.02456	0.7
104.66129	0.3
113.02499	0.4
142.01126	0.3
148.11122	0.3
161.04485	0.4
274.68936	0.3
432.16333	0.5
433.24539	1.0
447.68454	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	3.6
61.98830	100.0
69.50944	1.2
69.51345	2.4
71.01404	1.3
83.04191	0.6
88.98796	0.8
89.02429	0.7
101.02496	0.8
106.85101	0.5
169.05164	0.6
309.30536	0.6
342.27649	0.6
432.16269	0.8
433.24197	1.1
446.67218	0.6
502.57660	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.3225
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.3
57.03445	0.1
58.00597	0.2
59.01378	4.6
59.05296	0.1
61.98820	0.1
70.40505	0.3
71.01380	4.1
72.01730	0.1
72.99310	0.2
73.02947	0.9
76.84383	0.1
83.00938	0.1
83.01366	0.6
85.02948	1.0
87.00876	0.6
89.02443	3.4
91.04015	0.2
91.69102	0.1
95.01390	0.3
97.02956	0.2
99.00887	0.2
101.02441	4.0
102.02776	0.1
103.04034	0.2
113.02445	1.9
119.03495	0.9
125.02445	0.2
126.88396	0.1
131.03487	0.2
133.05049	0.4
143.03519	0.4
157.05023	0.2
161.04559	1.6
179.05598	0.5
195.85599	0.1
208.41437	0.1
235.08199	1.3
237.22194	0.2
253.09283	11.8
254.09537	0.4
255.23282	100.0
256.23621	7.5
447.38126	0.2
491.38153	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.1724
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	10.2
61.98831	100.0
69.51887	3.0
71.01395	2.2
73.02937	0.4
85.02967	0.7
89.02435	2.1
101.02458	1.3
109.41837	0.4
113.02426	0.5
119.03546	1.0
123.98460	0.4
188.56522	0.4
205.12421	1.0
220.63895	0.4
249.11438	1.1
356.83786	0.5
376.71750	0.4
389.21890	0.6
390.21964	0.8
429.17905	0.7
432.23328	0.5
493.26877	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2087
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84351	0.4
59.01376	9.2
61.98831	100.0
71.01389	3.4
71.55671	0.5
72.99316	1.1
73.02960	1.4
83.01427	0.8
85.02967	1.7
87.00879	0.7
89.02451	1.7
91.94719	0.4
93.71974	0.4
97.02991	0.5
99.00904	0.7
101.02454	1.3
102.02783	0.5
113.02435	1.3
119.03546	0.8
147.04568	0.8
148.04984	0.5
161.04494	0.9
213.49101	0.6
247.86343	0.5
249.11307	0.9
352.69479	0.6
375.20108	1.1
433.24408	0.6
449.16122	0.5
492.23328	1.7
492.29279	1.1
493.30350	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2498
Annotation	Unknow
Peak:m/z	Relative Intensity
57.85217	0.7
59.01380	100.0
60.01701	0.9
61.98829	7.1
69.03462	1.7
69.58060	2.8
69.58472	2.3
71.01382	7.1
72.99311	1.6
73.02947	3.5
75.81642	0.8
79.88344	0.7
83.01377	2.1
85.02956	4.4
89.02437	2.4
91.49414	0.8
94.04944	0.7
98.20624	1.6
99.00887	1.2
101.02425	9.0
102.02739	0.8
113.02451	3.4
119.03510	0.9
125.02447	0.9
125.19494	0.9
135.42702	0.7
159.02950	0.9
161.04558	3.6
184.37517	0.8
298.99606	0.8
333.78949	0.7
371.20712	4.9
389.21823	15.0
431.22672	5.2
474.23953	0.9
491.29041	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33895	0.4
59.01377	100.0
60.01707	1.2
61.98827	1.3
69.45077	2.6
71.01379	1.4
74.99525	0.4
83.01436	0.5
89.02448	1.5
89.42393	0.6
94.13578	0.4
99.00903	0.4
101.02445	1.0
113.02472	0.7
129.34445	0.4
137.37093	0.4
143.03517	0.4
152.07205	1.2
161.04567	0.8
165.98608	0.5
179.05589	0.6
192.06688	1.0
225.88838	0.4
227.16577	0.9
260.74380	0.5
269.96548	0.5
357.14627	1.6
371.20911	0.5
431.22922	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	491.2663
Annotation	Mucronine B
Peak:m/z	Relative Intensity
59.01371	5.1
61.98812	2.1
69.92017	1.2
69.92421	2.7
71.02503	4.4
73.04065	0.8
79.27888	0.7
98.19933	1.1
110.03561	1.4
111.01984	1.2
115.08778	10.5
116.05077	1.6
118.06635	4.1
125.07213	3.8
126.05586	1.7
141.06689	5.1
146.06110	9.6
152.08253	1.4
153.06625	1.4
163.08728	1.8
167.11879	1.0
168.07764	0.8
170.09331	2.7
179.11855	3.3
194.12924	1.0
200.10690	1.4
202.12378	1.2
214.15637	3.7
217.13403	2.1
227.11919	3.3
228.10202	2.8
240.07857	1.4
240.13408	0.9
245.12924	3.4
262.15582	3.6
269.16211	0.9
283.17947	0.8
295.22690	0.9
326.18716	5.7
344.19681	2.5
370.26877	0.8
410.85464	0.7
491.26587	100.0
491.33148	4.3
492.26913	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	490.1931
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48402	0.3
57.32939	0.4
59.01379	5.5
61.98830	100.0
69.32111	1.7
69.32539	1.5
71.01387	1.3
75.35805	0.3
75.54147	0.3
78.30071	0.3
87.00872	1.1
89.02476	0.5
90.95999	0.4
99.00877	0.5
101.02472	0.7
113.02484	0.6
134.03891	0.4
135.04509	0.5
142.99870	0.5
147.04555	1.7
150.17155	0.3
160.20403	0.3
188.54277	0.4
212.55284	0.3
232.13579	0.4
306.39221	0.4
311.01758	0.5
373.25690	0.6
430.25500	0.5
432.74719	0.4
491.28741	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.0834
Annotation	2,12-Dichloroisoplagiochin
Peak:m/z	Relative Intensity
53.89935	0.7
55.01870	1.1
57.03431	2.1
58.05294	0.7
59.01380	35.3
59.01685	1.7
61.98832	36.8
71.01073	0.7
71.01392	9.9
71.55197	1.0
72.99316	5.6
73.02960	3.9
75.00874	1.3
83.01387	1.9
85.02961	3.5
85.64925	0.9
87.00867	3.2
87.04527	1.0
89.02441	6.4
95.01375	1.1
97.02959	1.0
99.00858	1.6
101.02443	7.3
108.02167	1.5
109.02940	2.9
111.00863	1.3
111.08150	0.9
113.02468	5.4
115.00382	1.3
117.01913	2.4
119.01377	1.0
119.03488	1.8
119.05001	1.4
121.02941	2.0
125.02460	1.0
129.01930	0.9
131.03476	0.9
134.03737	0.8
135.00833	1.5
136.01634	1.2
137.02484	0.8
143.03464	1.2
147.04494	3.1
148.01669	4.0
149.02481	1.4
151.00389	1.5
152.01193	1.1
159.02838	0.8
159.04469	0.7
161.04538	1.3
163.00360	3.6
163.03935	0.8
164.01158	2.2
164.04802	1.0
178.99864	15.6
180.00082	0.8
183.04442	2.4
187.03827	0.9
189.98994	1.6
190.99870	3.5
192.00648	5.6
193.05014	2.1
198.03142	1.9
199.03972	1.7
206.99312	1.5
211.03970	5.5
212.04474	0.8
217.04904	0.9
226.02748	5.8
227.03511	10.8
228.04008	1.0
229.04955	1.3
239.03494	8.3
241.12361	0.8
242.02473	1.4
243.02888	3.8
251.16495	3.9
254.02148	2.9
255.02974	16.7
256.03653	3.3
257.04572	1.7
267.10095	0.9
269.17529	9.0
271.02466	52.6
272.03076	6.7
273.04037	1.3
281.00864	1.1
282.01794	4.5
283.02475	25.4
284.02802	2.5
287.18585	5.6
299.02023	10.2
300.02786	7.5
301.03558	5.5
311.02048	5.7
327.01434	1.2
328.02231	100.0
329.02979	88.5
330.03287	5.9
346.30234	0.8
371.12891	0.7
373.26041	4.3
387.19873	1.1
394.91443	0.8
431.22873	2.0
447.22360	1.0
449.27719	0.9
491.08328	73.6
491.22824	3.2
491.29434	7.4
492.08704	8.3
492.31537	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1407
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	0.8
58.33582	0.8
59.01374	7.3
61.98835	8.0
69.03451	1.1
71.01385	2.5
81.03456	6.8
83.01383	8.2
85.02953	2.0
87.83302	0.8
88.98811	1.4
89.02431	1.5
93.03439	1.4
95.01382	1.7
95.05017	4.5
97.02945	4.0
99.04510	2.1
101.02432	1.0
107.05010	1.7
109.02943	2.5
111.04506	1.8
113.02451	2.4
119.05080	2.1
119.13866	0.8
121.02934	2.6
121.06592	0.8
123.04527	16.1
125.02455	7.9
128.98296	0.9
135.04520	3.6
137.02451	2.9
137.06070	6.9
139.04008	6.3
147.04506	1.5
149.02446	1.7
149.06091	1.7
151.03969	2.5
153.05542	0.9
159.04514	1.0
161.04652	1.1
161.06013	1.3
163.03993	3.2
164.04744	1.6
165.01932	2.8
165.05527	5.1
167.03497	27.0
177.05594	1.4
179.03453	6.9
179.07120	1.5
180.03966	0.9
181.05009	2.9
189.05592	1.5
191.03442	1.5
193.05069	4.2
197.04495	2.7
205.05176	1.2
207.06578	2.0
209.04533	38.1
210.04848	2.7
219.02960	1.1
220.03577	1.5
221.04599	9.8
223.06036	1.4
229.25761	1.1
233.04581	1.6
235.06065	2.0
239.05602	12.6
240.05946	1.0
251.05598	100.0
252.05888	5.6
262.99219	0.8
263.05591	4.7
265.07043	1.8
269.06659	1.3
281.06662	68.1
282.07022	5.0
293.03586	0.8
293.06580	4.2
311.07736	18.7
312.07922	1.1
323.07565	1.7
353.08856	5.9
354.09644	0.8
365.08630	1.2
371.09793	14.7
375.53415	0.9
383.09680	4.8
396.50266	0.9
401.10931	1.0
469.07388	0.8
473.12866	0.9
491.14102	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	489.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
60.01720	0.6
61.98830	0.8
62.61057	0.5
71.00499	1.0
71.01379	2.5
72.09177	0.4
72.26089	0.5
73.02956	0.7
76.23351	0.4
81.56220	0.4
83.01428	0.4
85.02945	1.2
89.02455	1.2
93.03468	0.8
98.36543	0.4
99.08018	0.4
101.02463	1.8
109.02956	0.5
113.02485	1.6
119.03466	0.6
138.06900	1.4
143.03444	0.6
153.09225	3.1
160.72249	0.6
161.04610	1.9
207.14072	0.6
211.07693	1.3
221.09744	0.5
225.14957	6.2
237.09348	0.9
238.10010	0.5
239.10828	2.7
267.15961	0.7
369.19202	5.3
370.19418	0.5
387.20358	1.7
429.21338	6.0
430.21686	0.8
476.02130	0.5
489.14166	2.7
489.23254	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	2.3
58.00600	0.8
59.01380	100.0
59.17208	0.9
60.01715	1.4
60.30432	0.8
61.98817	3.1
66.18524	0.8
69.03436	1.5
70.46707	1.0
71.01388	18.9
71.05090	1.0
71.55405	1.0
71.55777	1.1
72.99299	2.7
73.02955	5.1
83.01369	2.8
85.02950	7.5
87.00869	2.8
89.02428	2.9
97.02906	1.4
99.00877	1.3
101.02456	5.9
106.09331	1.0
108.30701	0.9
113.02425	4.8
124.01631	1.5
125.02430	2.7
168.88356	1.1
239.10588	1.2
249.18512	4.8
267.19669	6.8
285.20654	2.8
313.03540	2.1
339.21838	1.1
342.03748	4.2
343.04572	5.0
383.29572	9.4
384.29468	1.5
397.23746	3.6
411.23767	10.3
427.28909	1.4
429.24921	53.1
430.25153	4.4
447.25940	5.2
471.26163	31.7
472.26636	6.2
489.10431	3.1
489.27087	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	489.234
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	2.1
59.01379	100.0
62.85633	1.2
69.46286	6.9
69.46708	3.0
71.01377	22.7
71.05019	1.3
72.99313	1.4
81.03458	6.1
84.02150	1.8
85.02946	2.1
86.40591	1.2
87.00864	1.9
89.02444	35.6
95.01385	1.7
97.02940	2.2
98.03757	5.9
99.04524	10.4
101.02444	10.7
113.02443	9.8
119.03518	15.7
131.03488	2.3
143.03464	3.1
149.04509	1.4
161.04553	5.4
179.05617	14.9
231.13977	2.2
336.46060	1.4
420.91595	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	3.1
59.01379	100.0
59.53713	1.1
61.98818	2.8
67.26392	1.2
69.22037	1.4
69.22592	11.5
71.01381	46.8
73.02943	11.6
79.63506	1.3
81.03472	6.9
82.85641	1.2
83.01380	5.5
83.04979	1.6
84.02171	1.5
85.02945	16.7
87.00877	1.6
89.02476	6.6
91.30016	1.1
94.04231	2.0
95.01379	3.9
97.02956	1.6
97.06583	1.3
98.03728	9.6
99.00876	5.3
99.04517	12.9
101.02436	26.7
113.02450	22.2
119.05064	1.8
123.08200	1.4
125.02389	1.6
133.06560	1.3
137.09720	2.1
139.11259	2.5
143.03499	4.2
144.59724	1.2
149.09718	14.6
151.07658	1.7
159.02998	7.3
161.04559	77.5
162.04922	1.9
167.10783	34.9
168.11090	2.3
179.05658	1.6
183.73572	1.3
231.13899	2.5
249.15132	1.6
261.09866	6.1
267.15970	3.1
277.54752	1.2
429.21051	6.7
489.14087	1.4
489.23483	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	489.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
56.73812	0.7
59.01378	53.3
59.75764	0.8
61.98818	4.5
63.46710	0.8
68.02827	0.7
68.73545	0.7
71.01379	14.3
72.99284	0.9
73.02933	1.3
75.32762	0.9
85.02947	1.4
89.02478	2.1
101.02454	1.4
108.02165	1.2
109.02956	25.8
110.03275	0.9
113.02456	2.6
115.00378	21.9
117.07102	3.6
120.99641	2.2
121.02953	2.2
122.03734	8.2
124.01661	1.2
124.44421	0.8
134.03741	2.2
135.04520	47.7
136.04910	1.0
147.04504	3.6
148.05301	13.2
161.04652	1.2
167.08693	0.9
179.03497	27.0
180.03825	1.2
209.06184	0.9
210.07002	1.0
211.07632	100.0
212.07962	6.1
214.77119	0.9
221.09760	2.3
223.07663	1.4
224.08102	0.9
225.14993	1.4
229.51288	1.1
237.09155	4.4
238.09895	1.4
239.10760	92.9
240.11089	7.4
249.14902	1.1
267.16040	7.3
283.09747	28.8
284.10153	3.1
321.27917	0.9
327.08667	3.8
341.08667	4.0
369.19214	1.7
373.12964	2.7
387.20450	1.2
429.21280	2.8
488.30917	0.9
489.14001	77.7
489.29608	7.7
490.14346	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	489.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88885	0.8
55.01862	1.9
58.00576	1.3
59.01380	100.0
60.01696	0.9
61.98811	2.7
69.03449	1.3
69.36549	4.0
69.36971	2.7
69.79600	0.9
71.01380	21.6
71.05009	2.2
72.54773	0.8
73.02943	0.9
74.82331	0.8
74.97619	0.7
81.03452	5.9
84.02174	1.5
85.02933	2.7
86.25706	0.9
87.00887	1.4
89.02444	36.9
97.02941	1.6
98.03738	7.7
99.04533	8.1
101.02435	12.4
107.03514	0.8
113.02448	10.2
119.03506	15.2
131.03494	1.8
134.53493	0.9
143.03468	3.7
147.74893	0.8
149.04546	1.7
161.04546	6.5
170.66386	0.8
172.65660	0.8
179.05612	11.7
191.10684	1.5
249.15004	1.3
267.16037	1.3
287.36310	0.8
291.05890	0.8
323.19470	0.8
429.21042	1.4
489.23425	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1403
Annotation	Dolastatin E
Peak:m/z	Relative Intensity
54.13118	0.5
59.01102	1.0
59.01383	13.3
61.98827	1.4
69.86931	2.3
71.01396	5.1
73.02907	0.8
85.02935	1.3
89.02435	3.7
93.03461	17.1
94.03767	0.7
96.99329	1.4
101.02433	2.7
108.02155	1.5
113.02448	1.2
115.00407	2.9
117.03432	1.3
119.03510	1.4
119.05025	14.6
121.02969	0.7
130.04245	3.2
130.19579	0.6
131.05032	7.1
132.05753	0.8
133.02942	0.8
133.06586	0.8
136.91417	0.6
143.03371	0.6
143.05006	6.3
144.72917	0.6
145.02950	2.1
145.06581	5.2
147.04454	1.3
159.04532	3.1
161.04510	1.2
163.03996	6.0
171.04497	4.3
177.05580	2.4
179.05519	1.1
195.08208	0.9
202.02696	0.7
204.69038	0.6
210.06882	9.6
211.07635	25.0
212.07968	1.3
219.08160	2.0
222.06834	1.7
223.07620	5.3
223.14183	0.6
224.08051	0.7
235.07642	6.8
236.08365	3.0
237.09195	54.0
238.09618	5.6
239.10759	11.2
250.06407	1.0
253.08678	7.5
263.07141	2.4
264.07901	5.1
265.08682	14.7
266.09033	0.8
267.16266	0.7
283.09744	1.2
308.06894	1.7
309.07709	2.9
327.08780	1.4
335.44965	0.6
373.12885	1.8
429.21170	1.0
489.14029	100.0
490.14343	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	489.1402
Annotation	Spiraformin D
Peak:m/z	Relative Intensity
50.32445	0.4
59.01381	18.4
60.01702	0.5
61.82833	0.5
61.98841	2.7
69.03446	1.3
71.01388	5.4
73.02937	1.1
85.02938	1.1
86.48528	0.5
89.02441	1.5
93.03448	0.6
98.20656	1.2
101.02437	2.1
108.02179	3.0
109.02956	35.6
110.03314	0.6
113.02459	1.0
115.00375	3.6
115.05524	0.7
117.07102	6.4
119.03456	0.9
121.02936	3.8
122.03745	10.8
124.01650	1.4
133.06584	0.6
135.04520	5.1
137.02423	1.8
146.03813	2.3
147.04512	2.7
148.05302	1.6
154.02750	1.2
159.04498	0.8
161.02419	0.5
161.04549	0.6
161.06075	1.5
167.08720	0.6
176.42955	0.5
179.03491	1.3
182.58063	0.6
185.12070	0.5
210.06790	0.5
211.07645	26.2
212.07988	1.4
219.08185	1.4
221.09717	2.9
222.06944	0.7
223.07657	2.7
224.08339	0.7
235.07661	1.8
237.09236	9.9
238.09773	2.4
239.10779	100.0
240.11134	7.6
241.05057	2.3
246.06798	0.5
247.07605	1.4
250.06311	1.2
264.07846	1.1
265.08707	5.6
267.15961	1.3
269.04575	1.4
283.09747	11.3
284.10175	1.1
284.15793	0.6
298.04791	1.7
309.07608	0.9
327.08719	19.1
328.09158	2.0
429.21185	1.2
445.11276	1.8
489.14063	65.1
490.14377	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	489.1402
Annotation	Spiraformin D
Peak:m/z	Relative Intensity
55.01866	1.6
57.03443	1.6
58.76281	1.2
59.01379	79.0
61.98818	10.6
64.83708	1.4
66.97325	1.3
69.03450	3.8
71.01006	2.0
71.01382	31.0
72.87454	1.3
72.99308	16.6
73.02934	8.6
75.00862	2.7
76.94917	1.1
83.01378	3.4
83.04995	1.9
85.02960	8.3
87.00869	5.5
89.02444	20.9
93.03456	37.5
95.01389	2.6
97.02962	1.2
99.00861	4.4
99.04530	1.7
101.02429	16.0
103.00368	1.4
107.04998	1.8
113.02459	9.2
115.00359	14.5
119.03506	8.2
119.05024	72.5
120.05380	3.0
121.02964	2.7
123.04523	1.6
126.83583	1.2
129.01897	1.4
131.03499	2.1
131.05011	2.8
132.05838	12.8
133.06592	9.1
135.02972	1.6
135.98338	2.3
142.99887	2.6
143.03470	2.6
143.04947	1.6
145.06604	7.9
147.04402	1.5
149.04486	1.9
159.02992	1.6
161.04501	8.2
162.04906	1.3
163.03996	47.2
164.04350	3.7
165.05563	7.0
170.24533	1.4
177.05583	3.8
179.05582	4.4
185.00861	3.6
191.10872	1.4
191.46159	1.4
195.06589	1.8
210.06841	6.5
211.07635	100.0
212.07944	6.6
221.09734	4.1
225.07729	1.5
231.28149	1.2
237.09203	5.6
239.10759	81.4
240.11159	5.9
253.08871	3.2
265.08774	1.8
267.15997	6.5
271.09741	16.2
272.10037	1.6
283.09738	14.4
285.16876	1.8
327.08621	5.5
373.12933	2.5
388.33066	1.3
401.16336	2.0
429.21368	15.4
430.22049	1.2
447.22784	3.1
489.13947	96.7
489.19476	3.7
490.14322	13.1
492.44540	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3428
Annotation	Asiatic acid
Peak:m/z	Relative Intensity
53.23938	0.5
55.95803	0.5
59.01381	2.3
61.98829	1.4
67.52242	0.5
69.60436	0.5
70.57092	0.4
71.55161	0.8
72.84464	0.4
83.69357	0.4
104.34907	0.5
113.43754	0.4
137.16930	0.5
184.47397	0.6
229.82048	0.4
388.25113	0.5
393.31500	1.0
439.32257	2.1
487.34293	100.0
488.34656	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	489.1038
Annotation	Quercetin 3-(4''-acetylrhamnoside)
Peak:m/z	Relative Intensity
59.01382	7.6
61.98835	1.8
63.02392	1.0
65.00320	2.3
68.99804	0.3
69.03464	0.5
71.01388	1.9
72.98953	0.4
72.99299	2.5
73.02968	0.6
75.59879	0.3
82.56973	0.4
83.01385	1.2
85.02949	1.2
85.38097	0.4
87.00883	1.1
89.02435	1.1
91.01858	0.5
93.03489	0.4
99.00921	0.4
101.02427	1.4
107.01385	4.1
108.02159	1.8
109.02956	3.8
111.00877	0.7
113.02441	1.0
115.00364	0.7
117.01951	0.6
119.01310	0.5
119.03513	0.6
121.02960	3.0
124.01703	0.4
125.02416	0.8
126.07264	0.3
135.00877	1.5
142.99843	0.5
147.04539	2.3
148.01677	1.8
149.02460	0.5
151.00369	14.4
152.00766	0.6
159.04529	0.7
161.04657	0.4
163.00372	3.8
164.01073	0.8
167.05051	0.4
169.01462	0.4
171.04585	0.6
175.04094	0.5
178.99854	7.9
182.03589	0.4
183.04594	0.6
185.06136	0.3
187.03954	0.6
190.99872	0.7
192.00659	1.0
193.01312	0.4
199.03947	0.7
201.05499	0.9
201.11401	0.4
203.03598	0.6
211.03900	1.7
213.01968	0.5
215.03456	0.9
216.04155	0.8
223.07669	0.5
226.02776	1.7
227.03513	3.9
228.04233	0.5
229.01350	0.4
229.05063	1.1
239.03517	0.6
243.02985	11.2
244.00435	0.3
244.03410	1.0
245.04568	2.6
254.02283	1.9
255.02969	27.3
256.03348	2.8
266.02182	0.4
267.15872	0.4
271.02463	58.1
272.02951	4.8
273.04004	1.2
283.02490	2.2
299.01898	0.9
300.02734	100.0
301.03464	55.3
302.03842	3.9
309.20660	0.6
447.09259	3.3
448.09384	0.5
489.10358	61.4
489.27267	2.5
490.10672	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	487.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24490	0.9
56.40709	1.0
59.01380	100.0
61.98829	2.9
66.02769	0.9
66.71263	0.9
69.03445	1.0
70.73652	2.4
71.01382	12.0
72.99310	2.1
73.02948	7.8
80.24500	0.8
80.27364	0.8
83.01390	2.7
85.02959	2.8
89.02440	5.5
95.01403	1.6
95.05008	1.4
97.02946	1.2
98.20507	1.0
99.04516	1.0
101.02435	9.1
113.02453	6.3
113.06082	1.3
118.98058	0.9
119.03489	1.7
123.08169	1.4
125.06083	1.6
133.13124	0.9
136.05341	1.1
138.06848	6.3
139.07645	2.8
139.31688	0.8
143.03510	1.2
147.04559	1.8
151.07666	5.4
152.08434	9.8
153.09210	36.8
154.09503	1.4
156.62552	0.9
161.04546	3.5
165.09195	1.6
179.05667	1.0
185.00928	1.6
203.05637	2.7
205.12312	12.1
215.38191	1.0
223.13382	11.5
228.69814	1.0
265.14429	5.6
300.52921	1.0
367.17535	9.0
385.18646	4.1
427.19678	12.8
428.20139	1.7
487.21768	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90756	0.6
55.01862	0.9
57.03434	1.8
58.00586	1.1
59.01378	47.6
61.98818	1.7
65.53889	0.6
69.03452	0.7
69.48191	4.8
69.48534	1.0
71.01380	16.4
72.99328	1.0
73.02949	9.7
83.01372	2.7
83.05019	0.7
84.05524	0.6
85.02946	10.0
87.00880	2.2
89.02440	6.6
95.01357	1.0
99.00866	1.3
99.04519	1.0
101.02432	12.4
109.02944	0.7
111.04520	0.9
111.08134	1.0
113.02432	6.3
113.06150	0.8
115.07653	1.3
119.03511	3.3
122.03728	4.2
123.08150	2.2
125.09655	0.7
129.05545	1.0
135.03017	1.2
138.03249	1.0
139.07672	1.5
140.96590	0.7
141.05562	1.3
141.09192	1.1
143.03456	1.1
147.08136	1.5
149.06047	5.0
151.07646	10.6
153.09190	2.2
161.04539	2.2
161.09680	1.8
163.07687	1.0
165.09166	0.7
173.06071	2.9
174.06740	1.7
189.09198	7.0
191.07140	3.9
191.10791	1.2
192.07851	2.2
207.10225	14.3
208.10718	0.7
230.20229	0.7
246.93024	0.6
247.13486	2.2
265.14441	5.2
266.75583	0.7
283.15485	53.7
284.15906	3.5
311.09073	1.1
318.56577	0.7
353.15979	0.7
375.84537	0.7
394.38583	0.6
427.19604	6.8
428.19940	1.1
429.17670	0.9
445.20734	32.7
446.21085	2.4
474.48651	0.7
487.21826	100.0
488.22202	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	487.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	3.1
59.01377	5.9
61.98832	7.4
68.99786	0.5
71.01379	11.6
72.99290	1.2
73.02939	0.8
85.02950	4.4
87.00877	0.8
89.02415	1.0
93.03454	8.1
95.01431	0.5
95.90383	0.6
96.99304	1.8
98.20737	1.2
101.02464	1.9
113.02448	0.8
115.05523	2.8
117.03448	0.6
119.05013	3.5
129.01942	67.2
130.02283	1.5
130.04250	4.6
131.05000	1.2
137.05807	0.5
139.00342	1.0
143.05038	10.6
144.05421	0.8
147.04578	0.7
158.03731	3.8
161.04492	0.8
163.04007	1.0
167.08536	0.8
183.67456	0.6
195.08144	100.0
196.08505	7.0
206.07425	1.4
207.08214	3.2
211.68245	0.5
219.08139	8.3
220.08704	0.9
221.09700	32.5
222.09952	2.5
234.06831	2.4
247.07652	2.4
248.08383	5.1
249.09189	29.3
250.09544	2.8
292.07379	3.9
293.08142	7.1
311.09232	6.3
312.09714	0.7
325.10794	19.5
326.11108	2.2
348.26819	0.6
455.13522	1.7
487.16397	1.7
487.25589	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31029	0.5
59.01380	100.0
60.01728	0.9
61.98833	1.7
69.03482	0.7
69.18170	4.4
71.01389	3.4
72.99319	0.8
73.02957	1.0
74.99109	0.6
77.62634	0.4
83.01393	0.6
85.02976	1.1
87.00909	0.8
89.02451	2.2
97.03011	0.5
99.00917	0.4
99.04576	0.4
101.02431	2.4
102.98586	0.5
105.01987	0.9
111.60615	0.4
113.02441	2.2
115.42659	0.5
119.03523	0.7
119.05019	0.9
121.59903	0.4
125.02541	0.4
163.03990	0.7
173.12894	0.5
177.94182	0.4
203.05698	0.7
205.12529	0.5
265.14395	3.0
307.15631	1.1
325.01868	0.6
339.14651	0.7
369.22864	0.5
487.21494	0.7
487.26276	0.8
499.22949	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
60.01731	1.1
71.01385	7.4
73.02952	4.2
83.01387	0.9
85.02968	2.4
86.58499	0.8
89.02460	2.5
95.49292	0.7
97.02956	0.7
99.00885	0.8
101.02430	5.4
102.98625	0.8
113.02471	5.7
113.06087	0.8
114.47602	0.8
123.04562	1.2
137.74394	0.8
138.06863	4.9
139.07671	1.4
146.03708	0.8
151.07683	2.5
152.08450	9.6
153.09212	24.5
161.04579	2.0
161.06065	1.2
195.04819	3.7
205.12347	9.9
223.13351	4.4
224.70261	0.8
229.41632	0.9
257.92252	0.8
308.16257	0.7
367.17603	22.8
367.21909	1.2
368.18091	2.4
385.18631	3.8
427.19760	8.5
428.19952	1.6
487.20648	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.2192
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47060	0.5
51.04889	0.5
59.01381	8.1
59.76032	0.4
61.98829	100.0
69.03442	0.6
71.01382	1.9
71.56017	0.6
72.99313	1.3
73.02940	1.5
75.00867	0.7
83.01378	0.6
85.02997	1.0
87.00879	1.5
89.02456	1.0
93.03468	3.5
99.04522	0.5
101.02467	1.4
105.01945	1.1
113.02458	0.8
119.04984	0.7
135.40717	0.5
139.00377	0.5
139.87161	0.5
147.04536	1.2
148.04916	0.7
162.90096	0.6
163.03976	1.0
180.54942	0.6
193.57837	0.5
208.75182	0.6
219.08138	1.3
237.09225	4.5
249.09232	0.9
265.14511	0.9
281.08237	1.3
311.09219	5.1
338.69409	0.5
343.20834	0.6
381.08118	0.8
426.22156	0.7
443.13370	1.2
487.12274	1.0
487.25769	1.1
502.79544	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.2194
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	1.7
61.98831	100.0
69.54729	1.7
72.96339	0.3
95.15134	0.2
97.56046	0.3
98.46942	0.2
102.80355	0.3
142.70961	0.3
193.08763	0.4
222.93971	0.3
260.32602	0.2
299.62790	0.3
367.02493	0.3
409.37881	0.3
465.41351	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.2195
Annotation	Unknow
Peak:m/z	Relative Intensity
54.76358	0.4
55.01863	0.4
59.01382	9.4
61.98830	100.0
65.00031	0.4
65.03951	0.4
68.99804	0.5
69.03486	0.4
71.01366	2.4
71.55882	0.5
72.99306	3.6
73.02959	1.4
83.01406	0.9
85.02965	1.2
87.00889	2.4
89.02448	0.9
93.03477	0.6
99.00880	0.7
101.02457	1.3
103.15881	0.4
109.02956	0.4
111.00874	0.9
113.02465	0.9
115.00379	0.4
119.05049	1.1
125.02518	0.6
129.01985	0.7
135.04477	0.5
135.21935	0.4
139.00397	1.7
147.04538	2.0
148.04961	0.4
157.01459	0.7
176.45442	0.4
285.11508	0.6
324.02805	0.5
333.19003	0.4
487.25577	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.327
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	0.8
61.98820	1.0
69.89725	1.3
69.90137	0.7
71.01379	0.4
73.02955	0.3
81.23659	0.4
83.05006	0.5
92.46958	0.3
115.74620	0.3
137.71957	0.4
302.10666	0.4
365.28854	0.4
369.28299	0.6
385.27304	0.6
421.31088	0.6
439.32101	1.7
440.32401	0.5
441.33725	1.1
467.31839	1.8
485.32709	100.0
486.33057	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	485.3271
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	0.2
59.49461	0.2
61.98819	0.3
64.71852	0.2
69.03442	0.2
70.55608	0.4
77.97350	0.2
84.00607	0.1
97.02901	0.2
97.06628	0.3
132.79082	0.2
137.09709	0.3
145.05180	0.2
149.09756	0.2
316.61804	0.2
337.25327	0.7
351.26892	0.8
353.24823	0.3
355.26511	0.9
377.28622	0.5
391.30136	0.3
393.31708	1.5
394.32126	0.3
407.29520	0.4
409.31204	0.2
423.32654	0.5
424.32846	0.2
437.30527	2.7
438.30957	0.3
455.31595	0.8
457.87442	0.2
485.32721	100.0
486.33075	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	485.3634
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45647	0.8
56.29723	0.8
59.01392	1.5
61.98834	1.1
67.78687	0.9
69.69226	0.9
70.40481	2.8
71.05019	1.5
78.95911	1.5
91.99390	0.9
97.06595	6.9
106.96252	0.9
132.37973	0.9
137.09807	0.9
191.14430	1.0
205.16115	1.0
256.23584	1.1
257.23956	1.9
302.87515	1.0
310.14929	1.1
388.09195	0.9
389.28629	1.7
391.30051	3.4
405.31592	8.1
407.33243	9.3
437.30405	1.4
439.32288	1.7
441.33719	12.7
442.34305	1.3
451.32169	37.2
452.32513	5.6
453.33752	100.0
454.34076	18.0
471.34851	3.0
485.31589	12.3
485.36646	5.9
486.32559	1.7
486.37405	1.5
497.32736	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	485.1668
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01890	1.6
57.03442	3.7
58.28564	1.5
59.01383	100.0
61.98814	8.2
61.99081	1.5
65.01636	1.7
69.03445	7.1
69.75649	11.0
69.92997	1.8
71.01380	32.4
72.99301	9.7
73.02948	38.7
83.01398	8.7
83.05021	5.8
85.02948	10.5
85.53308	1.6
87.00871	5.5
87.27319	1.9
89.02443	12.0
93.07085	3.0
99.00896	3.2
101.02451	31.5
103.00399	1.7
111.00911	2.7
111.25449	1.9
113.02457	14.0
115.00368	2.0
116.04060	1.9
116.57628	2.0
119.03532	4.6
119.05026	7.3
125.02414	4.4
129.62825	1.7
131.03560	2.1
133.10210	4.9
135.04553	9.1
139.00336	3.5
139.07608	3.4
143.03523	1.7
143.38478	1.8
145.06596	5.4
147.04572	2.7
149.04587	3.7
157.10266	2.1
159.08177	2.6
160.08958	33.7
161.04530	6.0
161.05911	2.2
173.09732	4.4
174.10243	1.8
175.02478	4.0
175.11290	65.6
176.11594	5.1
179.03487	5.4
185.00868	4.5
201.12842	4.0
205.08589	1.9
219.10260	70.0
219.13582	12.1
220.10594	6.5
239.10776	3.0
241.82584	1.8
253.14314	3.1
263.12881	27.5
281.13950	4.0
299.15045	2.8
305.13962	4.1
327.08511	4.3
336.75217	1.8
399.16635	6.1
425.18094	2.3
441.17569	25.7
442.17847	4.5
457.20755	4.3
485.19858	14.7
486.20337	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	485.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45140	3.7
59.01380	69.0
59.78938	3.7
61.98837	7.9
71.01379	65.8
71.07251	9.2
73.02941	13.8
78.95891	7.1
83.01381	6.2
85.02948	24.7
87.00882	11.2
89.02444	57.7
97.02985	4.9
99.00883	9.5
101.02435	65.4
113.02445	33.7
119.03490	27.9
119.09906	4.3
131.03513	6.3
131.07127	7.7
143.03474	8.0
161.04552	20.7
161.08055	4.8
162.07608	3.5
179.05606	62.9
221.06706	12.9
263.11316	10.9
289.80997	3.6
305.00626	3.9
425.16626	100.0
426.16901	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	483.3114
Annotation	Lantanoic acid
Peak:m/z	Relative Intensity
57.01731	1.6
59.01362	2.0
61.98830	4.1
71.54887	1.6
125.11565	1.3
148.64099	1.5
149.05072	1.3
272.42700	1.3
359.30475	1.5
368.23572	3.0
383.25888	5.0
406.75439	1.4
439.32150	100.0
440.32526	13.7
483.31250	52.0
484.31400	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	485.1088
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	5.1
57.03448	35.9
59.01382	18.6
59.95367	1.3
61.98830	5.4
69.03457	4.7
69.23835	9.1
69.24252	3.2
71.01385	10.2
71.69766	1.3
72.99301	7.0
73.02950	10.7
74.20707	1.2
75.00883	3.3
83.01390	3.9
85.02963	17.4
87.00876	3.7
88.04040	13.2
89.02444	3.6
92.91695	1.5
93.03449	3.5
96.60497	1.3
99.00882	25.8
101.02431	8.6
104.67734	1.5
106.76154	1.3
111.00864	2.8
113.02403	4.4
115.00388	2.5
117.01904	2.0
117.03472	1.8
119.05025	61.9
120.05351	2.7
121.02953	3.3
124.07689	3.8
129.01927	5.8
135.03000	4.8
135.04526	7.6
139.00418	2.5
147.03249	2.5
147.04497	16.7
148.04796	2.8
151.00380	4.9
157.01387	2.5
163.03999	15.1
173.00906	15.4
175.02460	2.9
179.03526	3.9
211.07693	4.0
219.13954	3.1
221.09706	5.7
221.11746	2.0
223.11273	5.2
237.09258	4.4
239.10780	3.6
263.12888	1.7
267.10278	7.0
281.14001	3.0
287.14023	8.6
311.09250	100.0
312.09625	9.3
327.08694	4.8
367.21222	2.8
424.89185	1.7
441.11700	2.8
449.10776	3.9
449.18030	1.1
456.22409	3.1
467.42880	1.4
485.10806	9.9
485.18594	4.4
486.23318	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	485.1088
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	5.1
57.03448	35.9
59.01382	18.6
59.95367	1.3
61.98830	5.4
69.03457	4.7
69.23835	9.1
69.24252	3.2
71.01385	10.2
71.69766	1.3
72.99301	7.0
73.02950	10.7
74.20707	1.2
75.00883	3.3
83.01390	3.9
85.02963	17.4
87.00876	3.7
88.04040	13.2
89.02444	3.6
92.91695	1.5
93.03449	3.5
96.60497	1.3
99.00882	25.8
101.02431	8.6
104.67734	1.5
106.76154	1.3
111.00864	2.8
113.02403	4.4
115.00388	2.5
117.01904	2.0
117.03472	1.8
119.05025	61.9
120.05351	2.7
121.02953	3.3
124.07689	3.8
129.01927	5.8
135.03000	4.8
135.04526	7.6
139.00418	2.5
147.03249	2.5
147.04497	16.7
148.04796	2.8
151.00380	4.9
157.01387	2.5
163.03999	15.1
173.00906	15.4
175.02460	2.9
179.03526	3.9
211.07693	4.0
219.13954	3.1
221.09706	5.7
221.11746	2.0
223.11273	5.2
237.09258	4.4
239.10780	3.6
263.12888	1.7
267.10278	7.0
281.14001	3.0
287.14023	8.6
311.09250	100.0
312.09625	9.3
327.08694	4.8
367.21222	2.8
424.89185	1.7
441.11700	2.8
449.10776	3.9
449.18030	1.1
456.22409	3.1
467.42880	1.4
485.10806	9.9
485.18594	4.4
486.23318	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83276	0.5
55.41232	0.6
59.01382	7.6
64.36115	0.5
69.48017	3.8
69.48409	0.9
71.01375	2.9
72.99308	54.9
74.05319	0.5
76.39671	0.5
83.46959	0.6
84.32459	0.5
87.00900	2.9
89.02457	4.3
90.49486	0.5
98.20642	1.0
99.00877	3.5
103.05551	3.0
115.00333	0.8
117.01942	27.9
119.04999	1.0
127.00410	1.6
129.01965	1.3
147.04521	100.0
148.04861	4.2
151.51385	0.5
173.00914	8.4
182.56731	0.6
265.07156	33.4
266.07486	1.8
321.06177	0.8
451.08783	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2002
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00581	4.2
59.01378	100.0
61.98582	3.3
61.98831	43.4
71.01384	61.0
71.55984	6.6
72.99300	13.0
73.02955	17.6
80.02787	3.0
81.92662	3.3
83.01385	6.7
85.02946	20.7
87.00877	8.6
89.02442	66.5
89.62017	3.4
99.00873	7.4
101.02439	55.2
113.02438	16.5
119.03480	5.3
125.02428	4.1
131.03474	28.5
133.71977	3.6
147.04482	15.2
149.04544	44.1
161.04553	5.9
191.05650	11.7
261.15036	4.2
291.18079	16.9
295.09494	5.3
421.24408	12.4
423.22324	52.6
424.22693	4.3
447.22852	3.7
483.20239	7.6
483.27563	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	483.2962
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74939	0.5
58.00565	0.4
59.01380	100.0
60.01712	1.1
61.98822	0.9
63.51038	0.4
67.62897	0.4
69.03459	0.5
71.01389	5.2
71.55937	0.8
72.99331	1.1
73.02941	0.9
79.14595	0.4
85.02963	1.2
87.00910	0.8
87.69152	0.5
89.02457	5.1
93.66899	0.4
99.92581	0.6
100.49783	0.5
101.02447	3.4
102.98631	0.5
113.02459	2.6
115.92065	2.3
119.03507	1.2
142.94479	1.8
147.04550	1.9
161.04561	0.5
251.11061	0.5
260.30936	0.5
295.09833	1.8
295.99969	0.6
314.40326	0.6
483.23364	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2805
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00634	0.3
59.01380	100.0
60.01712	0.9
69.03459	0.9
71.01379	4.4
71.39769	0.6
72.99306	0.5
73.02949	1.5
83.01417	0.6
85.02975	1.4
89.02450	4.8
95.01393	0.5
96.99332	0.5
101.02446	2.9
109.47887	0.3
111.66756	0.3
113.02454	2.4
115.55201	0.3
119.03506	1.4
143.03563	0.5
144.06105	0.3
147.04552	0.5
161.04573	0.9
179.05682	0.6
181.45895	0.4
185.01036	0.4
197.40846	0.3
233.09856	0.5
295.09677	3.1
296.10187	0.5
299.53937	0.4
440.59116	0.4
459.86459	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
60.01712	1.2
61.98844	1.4
70.25122	0.6
71.01390	4.2
71.12080	0.7
71.12400	0.9
73.02978	0.8
81.98663	0.5
85.02969	1.2
87.00922	0.8
88.05252	0.6
89.02439	4.5
98.20264	0.7
101.02425	3.0
113.02474	1.9
119.03526	2.0
131.03473	0.6
143.03542	0.6
289.19717	0.6
402.59283	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.2968
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
62.21313	0.5
70.04948	2.5
72.46525	0.6
72.53226	0.6
78.95908	6.7
89.82988	0.5
96.96973	0.8
122.05944	0.5
152.99586	15.4
167.29396	0.6
171.00723	0.7
176.94214	0.6
217.22748	0.5
219.83173	0.6
227.03348	2.2
255.23280	55.1
289.18652	0.6
312.74133	0.7
340.71381	0.6
391.22839	0.7
483.27243	25.9
505.07532	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49282	0.9
59.01381	14.2
61.98807	1.0
65.85609	0.8
69.22626	1.0
71.01384	5.2
72.99310	67.0
73.02955	1.4
76.26654	0.9
87.00867	4.2
89.02441	6.5
95.64535	0.9
98.19902	1.6
99.00869	4.0
101.71717	1.1
103.05532	5.2
115.00317	1.2
117.01944	51.1
118.02325	1.0
119.94256	1.0
127.00358	2.3
147.04524	100.0
148.04865	6.1
153.07994	1.0
171.43198	0.9
173.00909	16.4
265.07162	30.0
266.07458	2.5
292.00296	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	9.4
66.53925	0.6
71.01380	3.3
72.71252	0.6
72.99310	62.3
73.99654	0.7
76.06007	0.7
82.70072	0.7
87.00871	2.3
89.02453	4.7
92.36954	0.6
99.00880	3.9
103.05510	3.0
115.00351	1.2
117.01942	33.4
119.05065	1.0
120.48789	0.5
127.00368	1.5
129.01906	1.1
147.04523	100.0
148.04874	4.7
173.00894	10.6
196.23161	0.6
231.90036	0.5
265.07162	28.0
266.07498	1.6
321.06271	1.5
386.50726	0.5
429.54388	0.6
445.69757	0.6
507.50742	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	1.9
61.98825	2.2
62.99657	0.5
68.98831	0.6
69.23063	6.1
71.01366	1.2
88.84872	0.6
89.02457	1.4
101.02432	0.7
113.06248	0.6
134.03734	0.5
136.01633	2.5
149.05966	0.7
151.04044	1.3
159.11731	0.6
165.56297	0.5
169.06570	0.6
185.06046	1.7
193.81134	0.6
195.04332	1.2
197.06210	0.9
212.04745	1.6
213.05588	11.0
214.05962	0.8
223.04016	1.4
224.04715	1.4
240.04463	0.8
241.05063	58.1
242.05476	3.8
256.07410	43.2
257.07840	3.4
271.09747	100.0
272.10083	8.5
319.11847	17.5
320.12259	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1847
Annotation	Daphnetoxin
Peak:m/z	Relative Intensity
53.28440	2.7
59.01382	20.7
61.98831	6.6
69.83975	13.7
71.01380	10.9
72.99332	3.4
73.02943	6.0
85.02940	5.4
89.02472	12.4
99.04539	4.6
101.02447	9.4
117.01933	3.8
119.03501	5.7
119.16323	2.5
125.02444	2.8
137.02451	4.7
138.21442	2.4
151.04004	4.8
179.05664	4.5
208.76468	2.8
227.05141	2.9
241.05055	9.3
250.65973	2.8
253.04977	4.0
256.07690	3.0
259.15543	3.6
265.14578	2.9
271.09741	11.5
274.38269	2.5
283.09842	3.9
285.76749	2.5
288.59042	2.9
301.13126	4.5
302.65741	2.7
400.16730	2.5
405.06677	9.1
421.20682	6.0
443.02487	2.7
481.18491	100.0
482.18857	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	481.2571
Annotation	Unknow
Peak:m/z	Relative Intensity
66.35165	0.9
70.78114	1.9
70.78485	1.7
78.95901	40.7
94.43804	0.9
96.96965	3.0
107.76273	0.9
152.99579	61.7
153.99899	1.0
171.00632	18.0
216.34749	0.9
227.03334	3.1
245.04303	100.0
246.04683	3.8
253.21722	62.5
254.22115	3.8
299.40225	0.8
319.79919	0.9
481.25732	32.8
482.26047	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	481.2572
Annotation	Unknow
Peak:m/z	Relative Intensity
63.11585	0.9
70.25461	0.9
71.00553	3.0
78.95908	47.1
96.96972	3.9
104.81808	1.1
107.89806	1.0
152.99588	60.9
153.99924	1.2
170.99255	1.4
171.00655	17.5
227.03271	3.7
245.04303	100.0
246.04596	3.2
253.21727	65.6
254.22052	3.9
396.50873	1.2
481.25665	38.7
482.25928	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	481.163
Annotation	Unknow
Peak:m/z	Relative Intensity
56.31696	32.3
56.47819	36.1
59.01369	100.0
59.91658	38.0
61.98817	88.9
71.50739	54.4
96.95969	44.8
109.84576	41.4
124.68582	39.3
129.18492	41.1
142.14087	34.8
152.92412	38.3
194.71519	38.6
256.23700	37.1
369.34738	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	481.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
56.08759	1.3
57.03439	2.5
58.00587	4.0
59.01379	100.0
61.98831	30.9
67.41518	1.3
71.01381	65.1
71.28250	1.7
72.99306	5.1
73.02938	4.5
74.99072	1.6
75.00868	4.5
78.91882	1.4
83.01385	3.4
85.02937	10.9
87.00880	4.1
89.02443	72.2
89.78072	1.5
95.01380	3.7
97.02982	2.0
101.02438	28.7
108.02186	4.3
113.02447	25.0
115.00315	1.5
119.03494	26.2
121.02933	2.8
123.04519	2.5
125.02377	1.8
129.98289	1.4
131.03494	2.9
134.03745	19.1
135.02950	1.7
136.01669	36.4
139.03995	3.5
143.03476	2.8
149.02452	2.5
149.04553	2.1
149.06065	12.6
150.03183	5.5
151.04001	47.1
152.01140	1.9
153.02020	1.7
161.04541	4.7
165.01892	1.7
165.05582	6.5
167.03479	8.7
179.05632	9.2
181.06534	1.6
195.04831	1.4
195.06613	4.7
197.06007	5.2
208.05247	2.0
209.06046	11.8
223.07797	1.5
225.05603	10.1
236.04788	4.3
237.05551	41.6
238.06297	11.2
239.06755	1.3
240.07875	1.6
251.07146	5.2
251.63501	1.4
252.07912	35.2
253.05038	27.6
253.08411	8.7
254.05298	2.4
267.06662	2.6
268.04703	2.4
268.07382	30.2
268.09808	1.2
269.07666	2.9
283.09766	70.1
284.10019	4.9
287.10263	2.6
301.10968	4.0
315.08752	3.2
331.09274	2.4
343.61780	1.4
363.11224	4.3
363.16589	3.7
421.20630	3.4
481.18390	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	481.1563
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03425	2.5
59.01380	65.5
61.98830	25.8
69.03411	2.3
69.22193	3.6
69.22594	11.5
71.01382	41.9
72.99274	7.0
73.02915	6.6
75.00871	29.7
83.01362	2.9
83.04971	2.2
85.02935	7.1
87.00835	5.7
89.01934	2.7
89.02441	39.1
93.07072	1.7
95.01346	3.9
97.02891	2.2
101.01894	1.5
101.02441	18.7
108.02171	1.7
109.02925	3.1
111.33454	1.6
113.02440	12.9
117.01927	3.0
119.02794	1.3
119.03503	13.9
121.02905	1.7
125.02373	1.8
127.07594	2.8
134.03664	2.6
135.03000	100.0
136.01614	3.0
136.04056	11.1
137.02379	2.2
138.66676	1.6
139.04028	11.5
139.07660	39.4
141.09180	3.0
146.06079	3.3
149.02402	2.2
149.06041	1.6
150.03172	4.3
151.03934	7.5
152.01080	2.3
153.01831	5.3
153.09204	2.7
154.05057	7.1
161.04510	3.7
164.07086	6.4
165.01848	3.5
165.04074	2.3
165.05511	4.4
167.03416	6.3
175.00085	1.8
179.00012	3.0
179.05539	6.6
182.03114	1.5
183.05124	2.7
183.06622	32.7
184.06946	1.5
195.06480	2.7
237.05487	4.1
239.76636	1.6
252.07942	3.7
253.04880	2.7
259.15482	15.0
268.07266	4.8
271.09515	1.7
283.09714	8.4
283.15390	3.9
301.09067	9.4
301.12082	3.4
315.08939	1.6
345.07852	4.0
363.12347	8.5
363.16629	8.6
421.20850	24.0
481.15262	75.0
482.15305	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	481.1349
Annotation	TERNSTROSIDE F
Peak:m/z	Relative Intensity
54.09264	0.7
54.14996	0.8
55.01882	1.0
59.01383	8.8
60.46761	0.8
61.98829	7.4
66.22347	1.0
69.34451	2.2
69.34879	4.8
71.01392	4.6
72.99305	2.5
73.02952	0.9
75.00877	3.5
79.76990	0.7
83.01413	1.1
85.02911	1.5
87.00869	1.0
89.02441	4.0
91.01890	3.5
93.03472	4.3
101.02435	2.6
108.02168	20.4
109.02990	1.2
117.01929	2.0
119.05044	2.6
121.02966	14.4
122.03767	6.5
123.04523	16.1
125.02444	0.9
133.02910	1.5
137.02452	1.1
139.04030	1.3
141.85686	0.8
147.04539	0.8
149.02440	28.5
149.61462	0.9
150.03226	65.4
151.03899	4.2
152.01154	44.2
152.02406	1.9
153.01503	1.4
161.04587	0.9
161.73438	0.8
163.03969	3.1
164.04808	5.8
165.05563	78.9
166.05949	3.1
167.03490	100.0
168.03795	3.9
180.04294	5.2
181.05078	3.9
195.06618	45.0
196.06966	3.3
196.65388	0.9
199.03990	0.9
213.05499	2.0
224.04704	1.8
256.07419	15.7
257.07785	1.9
271.09787	6.5
300.06476	1.7
315.08755	48.5
316.09030	3.2
318.03372	0.9
319.08313	1.1
345.09946	1.2
363.10846	35.1
363.15891	1.5
364.11237	3.9
481.13678	10.1
481.24167	1.2
481.30505	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	480.0782
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	1.4
59.01382	13.8
61.98830	100.0
69.03462	2.1
69.29330	8.7
69.29739	2.8
71.01369	6.0
72.99319	3.0
73.02925	2.6
75.00889	3.7
76.02649	1.3
83.01360	2.5
85.02946	3.3
87.00883	2.9
89.02436	3.0
98.19927	2.5
99.00857	2.1
101.02408	5.4
119.03528	1.9
119.05022	4.8
129.02071	1.4
135.03061	1.4
147.04532	4.9
149.59473	1.5
151.00404	2.2
162.04721	1.6
163.04002	4.9
200.64676	1.5
213.01572	1.6
227.03520	11.6
255.02992	14.0
256.03549	3.0
284.03262	21.0
285.03928	6.9
298.21451	1.5
317.19724	1.8
349.18405	1.7
361.18500	3.2
362.19025	5.4
363.20245	2.0
417.08237	35.6
418.08536	4.3
479.26065	3.4
480.08893	2.9
480.20798	2.9
480.26538	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	479.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07929	0.3
52.73352	0.3
55.01956	0.9
57.03257	0.3
57.03530	1.0
58.00660	0.5
59.00964	0.5
59.01138	2.2
59.01470	13.6
61.98922	1.0
71.01050	1.7
71.01488	12.6
72.99413	1.0
73.02609	0.6
73.03052	4.7
74.02557	0.8
75.00991	1.6
83.01513	2.8
85.02520	0.6
85.03072	6.0
86.00204	0.9
87.01019	1.3
89.02571	3.3
95.01522	1.0
99.01009	2.0
101.01853	0.8
101.02572	11.0
111.00986	0.8
113.02592	4.2
117.02013	0.4
119.03612	1.1
125.02514	0.4
130.35318	0.4
151.00415	0.4
154.11086	0.3
155.10927	0.8
159.03162	0.5
181.12393	1.6
199.13396	7.5
199.15021	0.6
200.13904	0.8
238.84735	0.3
245.03790	0.4
272.02579	0.5
273.03229	0.4
316.04916	0.7
317.15152	0.5
343.17664	1.3
360.84601	0.4
361.18658	100.0
362.19006	9.4
385.42227	0.4
415.15063	0.4
479.10394	1.7
479.21130	32.2
480.21460	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	481.1346
Annotation	CHEBI:67506
Peak:m/z	Relative Intensity
50.81826	0.8
54.79155	0.7
59.01385	5.0
61.98836	4.2
63.85833	0.6
64.75688	0.7
71.01381	3.4
72.99311	2.7
73.02947	1.2
73.12785	0.7
74.99110	0.9
75.00861	5.8
81.03504	0.8
83.01407	0.7
85.02966	1.0
89.02448	2.3
91.01901	1.8
93.03454	5.3
94.98067	3.5
95.05058	1.5
97.02953	2.9
98.20713	2.2
101.02447	1.9
108.02172	17.6
109.02956	2.8
111.04505	1.0
113.02491	1.6
117.01949	1.7
119.05030	10.1
121.02937	1.7
122.03749	5.3
123.04542	14.9
124.01669	0.9
133.02954	1.8
135.04343	0.9
137.02455	3.3
137.64960	0.9
139.04021	3.4
149.02438	12.2
150.03236	52.6
151.04001	1.4
152.01155	42.1
153.01927	4.6
155.03481	2.0
163.04013	8.6
164.04784	2.5
165.01930	2.4
165.05569	62.8
166.05923	2.6
167.03496	100.0
168.03815	3.9
180.04280	5.3
181.05109	1.4
183.02979	4.2
195.06627	45.1
196.06941	1.9
229.50964	1.3
256.07367	1.0
257.07721	0.8
315.08881	3.8
319.08075	6.2
363.10886	16.5
363.15915	1.2
364.11038	1.9
481.13123	7.7
481.30374	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	480.3091
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	0.1
58.00650	0.1
61.82796	0.1
62.96421	0.1
63.33646	0.0
65.52276	0.1
73.61295	0.0
74.98048	0.0
78.95903	19.1
96.96938	0.3
98.20662	0.2
104.97459	0.1
116.16790	0.1
122.98567	0.2
134.98520	0.2
152.99582	2.3
168.04303	3.0
171.00703	0.1
172.53963	0.1
194.05923	0.1
224.06918	8.3
225.07251	0.2
229.41360	0.1
237.22081	0.3
242.07985	1.9
245.04254	0.2
253.21651	0.3
255.23282	100.0
256.23618	7.7
273.35464	0.1
288.78247	0.1
306.53854	0.1
312.50888	0.1
388.88080	0.1
391.22327	0.1
401.44562	0.1
480.30917	22.1
481.31326	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.3093
Annotation	LPE(18:0/0:0)
Peak:m/z	Relative Intensity
61.98834	8.5
66.67197	0.6
70.43840	0.7
70.44922	1.1
70.45274	1.4
78.95905	16.7
122.00153	0.8
131.87277	0.7
140.01193	5.7
152.99603	1.8
185.52028	0.7
196.03790	9.3
201.96146	0.9
212.48439	0.9
214.04904	1.8
255.23291	1.3
283.26422	100.0
284.26767	9.6
480.30960	26.4
481.31320	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	481.0984
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99176	0.9
55.01875	5.7
57.03444	2.2
59.01377	8.6
61.98827	8.0
67.01890	1.4
68.99809	2.0
69.03455	2.3
69.23149	3.2
69.23575	5.2
71.01382	15.4
72.99310	7.9
73.02948	2.7
75.00874	3.4
83.01393	8.7
85.02950	6.9
87.00879	22.5
89.02445	1.4
95.01397	1.0
97.02964	2.5
98.19911	1.7
99.00878	9.7
100.98794	6.5
101.02437	5.7
103.05531	3.0
105.01924	4.7
109.02944	0.8
111.00884	6.1
113.02454	4.1
115.00345	0.9
116.98292	8.4
117.01913	1.7
119.05054	4.5
125.02428	2.1
127.00376	11.3
129.01949	15.9
139.00368	1.4
141.01949	2.6
147.04521	100.0
148.04895	3.6
161.06023	1.1
163.04013	3.4
169.01373	0.9
187.02492	0.9
201.14989	1.9
228.99858	0.9
257.03043	2.4
261.02457	2.2
269.20685	0.9
301.01828	1.0
320.03708	0.8
363.20178	7.3
378.63678	0.8
459.00745	0.8
466.89145	0.9
481.23026	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44722	0.5
55.01869	1.5
57.03444	1.0
58.00588	1.0
59.01385	20.4
61.98837	8.2
69.03429	0.7
69.34305	0.6
71.01381	14.1
71.55406	0.7
72.99311	1.3
73.02956	3.7
75.00878	2.9
81.54761	0.5
83.01377	3.2
85.02956	6.3
86.00093	0.7
87.00874	1.5
89.02436	3.7
95.01380	0.9
97.02959	0.8
99.00861	1.7
101.02455	9.6
111.00886	1.3
112.01722	0.6
113.02460	4.7
117.01963	1.1
119.03455	1.0
119.05006	0.6
121.02841	0.5
125.02441	1.0
134.06059	0.6
135.02953	2.0
151.00381	0.7
153.12880	0.7
178.99825	1.0
181.12357	0.7
185.11867	2.9
199.13376	11.0
200.13806	0.8
213.14879	0.7
252.31419	0.6
281.13998	1.0
317.02924	0.7
341.61035	0.6
343.17526	2.3
361.18683	100.0
362.19003	8.5
435.29065	0.6
479.21005	28.5
480.21375	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	479.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.7
59.01379	100.0
60.31810	0.6
61.98830	1.8
63.79600	0.6
71.01397	3.6
71.55326	0.7
73.02966	1.3
75.23305	0.7
85.02950	0.8
87.04507	3.2
89.02447	1.9
98.20427	0.7
101.02473	3.2
101.67972	0.7
111.54594	0.7
113.02479	1.8
119.03448	0.8
121.03049	1.5
151.00403	1.5
152.67712	0.6
161.04539	0.8
164.01196	1.1
173.03654	0.7
178.99857	1.0
209.63812	0.6
433.04184	0.7
436.75708	0.7
437.25003	0.7
453.20715	0.7
479.08606	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.265
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.5
57.03437	0.4
58.00608	0.6
59.01379	100.0
60.01714	1.0
68.56180	0.3
69.03483	0.4
70.56586	0.9
71.01382	15.1
72.99323	0.7
73.02946	8.2
75.00860	0.5
83.01389	3.0
85.02950	4.3
87.00895	0.5
89.02442	10.2
95.01424	1.1
99.00884	0.5
101.02444	11.2
101.03104	0.6
106.95651	0.3
107.01453	0.3
113.02449	8.2
119.03513	3.3
121.02934	1.4
125.02455	0.4
125.39860	0.2
131.03539	1.0
137.09665	0.3
143.03555	1.1
146.17903	0.3
149.04593	0.9
161.04562	2.5
179.05605	2.1
238.87822	0.3
271.94296	0.3
291.23618	0.3
419.24533	1.3
437.25510	1.7
479.26358	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1776
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	88.4
60.01698	1.2
61.98832	17.7
69.03465	1.3
69.73866	5.5
71.01371	8.0
72.99302	2.0
73.02940	2.9
75.00869	1.8
83.01387	1.3
85.02965	3.0
87.00885	2.1
88.98866	1.0
89.02452	7.9
95.01379	1.8
97.02904	1.2
99.00877	1.2
101.02444	5.7
103.00370	1.2
107.05038	1.4
113.02435	4.7
119.03473	2.8
121.02901	1.1
122.03722	2.1
125.02432	1.8
125.98517	1.0
135.03148	1.4
141.05644	1.3
148.04077	1.4
150.03229	3.2
151.00392	2.3
153.01939	12.2
153.05533	5.0
161.04584	3.1
165.04065	2.2
165.05478	1.6
168.04268	18.7
169.04730	0.8
179.05630	3.3
183.06612	100.0
184.06972	4.2
230.38373	0.9
253.14484	1.2
257.14044	1.4
287.09134	0.9
299.14969	1.1
299.91074	1.0
317.16000	10.1
371.78598	1.0
389.13538	1.1
419.14905	1.8
479.07886	2.0
479.21628	11.6
480.22119	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1773
Annotation	Unknow
Peak:m/z	Relative Intensity
55.11656	0.4
59.01384	4.4
61.98836	1.3
66.18774	0.4
67.01909	0.5
69.18459	1.7
69.18888	1.8
71.01374	2.1
72.99325	0.7
73.02959	0.8
75.00870	0.6
82.86987	0.4
85.02966	1.0
87.00886	0.6
89.02457	1.6
96.96003	1.1
96.96985	0.6
101.02432	1.8
101.05518	0.3
102.48368	0.3
109.02972	1.6
113.02482	0.8
117.05549	0.9
119.03493	1.0
122.03772	0.4
125.02454	0.4
136.64523	0.4
137.02452	5.9
138.03209	0.5
148.04033	0.5
149.02486	0.4
150.03259	0.9
151.04016	0.4
153.01945	4.7
153.05576	1.2
161.04553	0.8
164.07227	0.5
165.01929	47.7
166.02277	2.1
167.03438	0.4
168.04283	3.5
179.03436	0.8
179.05562	0.4
180.04285	35.9
181.04678	1.9
183.06619	9.2
184.07037	0.6
195.06621	100.0
196.06963	4.8
207.06702	0.7
225.07597	0.5
243.08725	4.5
315.07159	1.5
315.10272	0.5
317.08658	0.6
317.12158	0.9
317.15839	0.7
479.17566	3.5
480.17831	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.083
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70577	0.8
59.01103	1.4
59.01377	19.5
61.98827	8.6
65.00328	4.7
69.03445	1.1
71.01376	10.8
71.54530	1.4
72.99304	3.9
73.02938	3.9
73.67068	0.8
74.99078	1.1
75.00864	2.7
83.01387	4.8
85.02943	4.1
87.00878	2.4
89.02445	12.5
93.03423	1.5
95.01365	2.5
97.02905	1.0
99.00847	2.5
101.02454	6.4
107.01393	7.8
108.02172	6.9
108.04527	0.9
109.02950	9.6
110.00097	3.5
111.00883	3.7
113.02457	3.5
119.03514	1.9
121.02921	2.0
121.37177	0.8
123.00882	10.6
123.04526	4.3
124.01694	4.5
125.02464	9.7
129.01936	2.3
131.01370	1.3
135.00838	1.5
135.02980	2.2
136.01678	1.5
136.99042	1.1
137.02469	7.5
138.05635	2.3
139.00342	4.3
139.04039	1.1
139.07639	1.9
147.00885	1.6
147.04486	1.4
148.01678	1.0
149.02470	1.5
149.04535	2.1
150.03233	1.1
151.00360	37.2
152.00961	1.1
159.04485	1.1
161.04538	2.8
163.00354	6.0
163.04010	3.0
164.01151	15.1
165.01938	5.2
165.05569	1.2
165.99159	4.4
166.99811	2.4
168.07811	0.8
169.01437	1.0
175.00356	8.5
178.99889	6.7
179.05522	1.2
190.99825	3.5
192.00653	4.6
193.01280	2.3
199.04015	2.3
201.01880	1.3
205.01505	1.3
215.03552	1.1
227.03511	3.2
231.02951	2.1
242.02173	2.5
243.02898	2.9
244.03729	1.8
255.03008	1.8
255.11328	1.8
257.04547	1.0
259.02365	1.9
267.11450	1.3
270.01718	5.3
271.02469	23.1
271.05667	1.4
272.02887	1.4
272.06903	5.6
273.04025	1.7
281.14038	4.8
287.01984	20.6
287.09207	22.4
288.02618	3.3
288.09576	1.6
298.01263	1.5
299.01974	7.6
299.05261	1.4
299.10410	1.5
311.10419	1.0
313.05954	1.8
315.98425	2.1
316.02222	40.0
317.02960	25.7
317.06512	2.2
317.10223	23.4
317.14487	1.0
317.15674	1.3
318.03458	1.3
318.10400	0.9
341.05069	3.2
347.12515	2.8
347.16864	1.3
360.38565	1.1
361.10175	1.6
376.39734	0.9
451.09070	0.9
479.08231	100.0
479.21118	6.1
480.08487	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	478.2658
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.1
57.03439	0.6
58.00595	0.8
59.01380	13.1
61.98529	0.7
61.98830	9.7
69.03477	0.4
69.51367	2.1
69.51775	0.8
71.01382	8.1
71.06977	0.4
72.99319	0.8
73.02929	3.1
73.21278	0.3
74.02474	75.6
75.00873	0.5
75.02806	0.6
83.01384	2.5
85.02959	3.7
86.00089	0.4
87.00895	1.0
89.02430	2.6
95.01402	0.7
99.00893	0.9
101.02443	5.5
109.02946	0.4
111.00877	1.1
113.02454	2.8
115.14370	0.4
119.03527	0.7
125.02481	0.5
135.02989	0.7
151.00363	1.3
161.04550	0.6
178.99875	1.3
201.18944	0.4
230.58846	0.4
249.11229	0.4
270.20856	0.8
272.22223	0.9
298.20135	0.5
316.02219	0.5
316.21381	1.0
317.02991	1.0
347.17105	0.6
361.18402	0.8
435.25931	0.7
460.25583	1.6
478.26575	100.0
479.08096	2.3
479.26541	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	478.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	1.1
57.03444	0.6
57.38458	0.5
58.00593	0.6
58.99636	0.4
59.01375	15.4
60.01706	0.8
61.98827	15.8
63.41928	0.5
69.18142	1.7
69.18573	3.0
71.01376	8.0
72.99294	1.3
73.02946	2.8
74.02470	75.6
75.02811	0.8
78.29672	0.4
83.01395	2.6
85.02946	3.8
86.00100	0.6
86.32172	0.4
87.00874	1.3
89.02445	3.4
95.01386	0.7
97.02932	0.5
99.00883	1.4
101.02435	5.9
113.02432	1.9
119.03452	0.6
126.76869	0.5
127.29642	0.5
146.47661	0.4
151.00302	0.6
161.04503	0.9
179.77017	0.4
196.16988	0.6
220.11191	0.5
246.27644	0.5
272.22461	0.7
315.04852	0.8
316.21341	1.2
360.17523	1.0
361.18417	0.9
418.25098	0.6
419.22610	0.8
435.25934	1.5
460.25247	1.0
478.26541	100.0
479.26797	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	478.2939
Annotation	Glycerophospho-N-Oleoyl Ethanolamine
Peak:m/z	Relative Intensity
53.80134	0.5
58.73367	0.6
59.01363	0.7
61.98823	1.1
70.66425	1.0
70.66798	0.8
78.95905	100.0
83.91566	0.4
89.04070	0.4
91.84792	0.5
96.96965	7.5
98.20095	0.5
100.87262	0.4
152.99582	16.0
171.00639	18.4
262.34637	0.5
378.93066	0.6
404.25714	1.9
478.29395	58.0
479.29706	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	479.0831
Annotation	Unknow
Peak:m/z	Relative Intensity
55.29654	0.6
59.01383	6.5
61.98835	4.7
63.02386	1.2
65.00320	1.4
69.50616	4.5
71.01379	2.8
72.99305	1.1
73.02958	1.2
75.00861	1.3
83.01392	1.6
85.02952	1.4
86.03685	0.6
89.02435	1.4
96.15043	0.6
96.23341	0.6
98.20665	0.7
101.02435	2.2
107.01403	4.3
109.02934	1.3
113.02437	1.3
119.03525	0.8
123.00919	0.8
124.01656	3.2
125.02431	4.9
135.00974	0.9
136.01648	2.4
137.02425	3.9
147.00885	0.8
149.02437	0.6
150.11760	0.6
151.00360	16.9
151.01567	0.8
152.01190	4.1
161.02414	0.6
163.00381	4.1
164.01128	5.2
165.01871	1.1
169.01390	1.2
171.04529	0.6
175.03983	0.8
178.99850	18.1
179.27310	0.7
180.00317	0.6
182.43936	0.6
190.99770	1.0
192.00673	0.8
193.01434	0.7
199.03940	1.0
199.09767	0.8
201.01923	1.3
203.03499	0.6
204.04312	0.6
205.29715	0.6
214.02693	5.7
215.03284	1.0
227.03453	1.8
232.03667	0.7
242.02191	5.9
243.02980	4.6
244.03430	0.7
248.82393	0.6
259.02408	6.9
260.02911	0.6
265.59610	0.7
270.01691	6.3
271.02466	42.2
272.02786	3.0
287.01959	20.9
288.02579	2.9
299.01917	11.9
299.09213	0.9
300.02271	1.1
315.01544	1.0
316.02216	100.0
317.02908	32.4
318.03253	2.6
353.05093	1.0
479.08289	82.4
479.24689	10.0
480.08679	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	477.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18326	0.5
53.11961	0.6
54.53334	0.5
55.01870	0.7
57.03438	0.9
58.00642	0.5
59.01381	100.0
60.01725	1.0
61.98831	19.7
69.75381	2.2
69.75790	1.2
71.01379	13.5
72.99322	1.3
73.02938	4.7
73.85686	0.5
75.00894	1.3
83.01406	1.8
85.02955	5.7
87.00897	2.1
88.98840	1.9
89.02435	6.0
93.03462	1.0
93.30203	0.5
95.01398	1.3
98.20659	0.6
98.82789	0.5
99.00906	2.3
101.02448	10.1
102.98633	0.7
107.05006	1.0
113.02446	6.5
119.03564	0.9
123.04566	2.0
125.02430	0.5
127.07678	1.0
132.04576	0.6
133.05392	0.5
134.03789	3.3
135.04506	4.1
143.03546	1.2
149.06091	0.7
150.03293	0.6
150.04584	0.6
151.00462	0.6
153.09224	1.6
159.03020	2.2
161.04565	11.7
165.05615	2.3
173.91275	0.5
178.02791	1.3
179.05666	1.0
193.05060	6.6
197.08279	0.9
243.03093	2.2
270.01822	0.8
271.02628	1.7
285.04120	1.0
311.09378	0.9
314.04416	2.3
341.05923	0.5
345.11237	0.6
345.15656	0.7
347.85577	0.5
417.24945	32.3
418.25381	3.7
477.10565	2.8
477.23215	1.2
477.28488	0.9
478.28107	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.0992
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16917	0.6
56.90454	0.7
59.01377	11.9
61.98831	100.0
69.44099	5.4
71.01378	3.4
72.83892	0.7
72.99304	0.7
73.02943	1.2
83.01415	0.8
84.00380	0.7
85.02954	0.9
89.02483	1.6
101.02457	1.6
113.02456	1.8
119.27407	0.6
161.04637	1.0
163.00591	0.7
170.83701	0.7
171.04753	0.7
181.58482	0.7
268.03754	5.9
269.04459	1.6
415.10364	6.4
416.10800	1.0
418.25433	1.1
436.26932	0.8
478.15930	3.1
478.27402	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	478.229
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05505	0.8
56.39189	0.9
59.01379	11.0
61.98830	100.0
69.32512	1.6
69.32916	5.9
71.01358	2.7
73.02934	1.2
74.02464	3.8
83.01370	1.7
85.02932	1.6
87.41167	0.8
88.47424	0.9
89.02463	1.3
98.28333	0.8
101.02430	2.1
119.04950	1.2
147.04527	1.0
147.08086	1.1
151.33192	0.9
157.03604	0.9
165.02071	0.9
172.38101	0.9
289.07150	2.0
338.27747	1.0
478.26923	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	477.2493
Annotation	Melissoidesin R
Peak:m/z	Relative Intensity
52.57915	1.1
59.01381	100.0
61.98832	2.4
68.74979	1.0
71.01385	18.6
73.02948	11.1
81.12058	1.0
83.01374	3.0
85.02953	4.1
87.00844	1.3
89.02447	5.0
98.20760	1.9
101.02435	10.5
113.02453	5.9
119.03496	1.5
135.04465	1.1
141.29880	1.1
161.04582	2.1
190.10417	1.0
209.88655	1.2
229.36079	1.4
334.31296	1.2
340.42233	1.0
417.22772	19.3
418.23102	3.2
435.18195	2.1
435.23843	25.5
436.24200	3.7
477.15125	1.4
477.24298	9.9
478.25043	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64281	0.4
57.03445	0.7
57.42471	0.4
58.00618	0.6
59.01379	100.0
60.01723	0.8
61.68318	0.5
61.98830	6.2
64.02714	0.4
67.93783	0.5
69.03485	0.4
70.63301	0.4
71.01382	12.3
72.99300	2.0
73.02953	2.7
74.99105	0.5
75.00879	1.2
83.01398	1.5
85.02950	4.1
87.00880	1.7
89.02441	7.8
90.98607	1.2
93.03465	0.6
95.01399	1.1
98.02508	0.4
98.19849	0.7
99.00862	1.9
101.02441	8.5
103.02366	0.4
113.02441	4.9
119.03506	2.8
121.02984	0.7
125.02454	0.8
127.07624	0.4
129.01988	0.5
132.04570	1.1
134.06178	0.8
135.03033	0.8
135.04520	0.5
139.07671	0.4
143.03502	1.2
147.04541	0.4
149.04599	0.7
150.05629	1.6
151.00417	1.0
153.02043	0.6
159.02998	1.2
161.04559	9.0
162.05664	0.9
163.00380	0.5
170.03807	0.5
172.01720	0.6
175.06207	0.5
178.99960	0.5
179.05582	2.0
181.08699	0.9
183.06610	0.5
190.05099	0.6
198.03307	0.5
200.50052	0.5
202.02802	0.9
203.06992	0.5
212.21234	0.4
213.02094	0.5
214.02806	1.4
215.03539	1.2
221.08293	0.7
230.02095	0.5
241.01389	0.5
243.02956	0.7
245.63264	0.4
255.11426	2.1
257.01172	0.5
258.01849	1.7
259.02557	0.8
279.12076	0.6
287.01941	2.3
297.13327	1.9
313.11960	0.7
314.00598	2.8
314.03763	0.4
315.01428	8.9
315.14462	0.5
343.13037	2.4
357.10992	0.8
359.20709	0.4
387.12103	0.9
389.12396	1.9
390.13068	0.5
417.25009	9.0
417.30011	0.7
418.25418	1.0
421.07809	0.6
477.06976	2.8
477.14606	2.9
477.20554	2.9
477.27075	0.5
478.14764	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03466	1.4
59.01379	100.0
60.01719	2.9
60.99307	2.7
61.98826	17.4
69.03461	3.0
71.01375	18.2
71.55359	2.8
72.99319	6.5
73.02956	6.6
74.99084	2.2
75.00882	3.6
83.01374	2.2
83.05010	1.9
85.02950	6.3
85.06682	1.2
87.00880	9.2
88.98805	18.2
89.02448	16.3
95.01423	2.2
97.06586	2.0
99.00877	2.0
101.02445	9.5
102.98573	1.7
107.05035	3.0
108.02145	1.7
113.02454	6.2
117.01961	1.7
119.03516	3.2
119.04972	1.4
123.04486	3.1
128.07776	1.3
132.42897	1.4
134.03723	8.2
135.03024	3.4
135.04517	8.7
137.02431	1.8
139.07642	4.8
143.03467	1.7
149.04556	1.8
153.09192	5.4
161.02383	1.6
161.04558	6.5
162.05611	1.7
165.05556	5.3
183.06627	1.9
193.05064	8.1
197.08221	2.9
235.07629	1.8
252.24768	1.5
257.00891	6.5
261.00345	3.3
279.12296	2.7
297.13354	1.8
311.09183	4.9
315.10782	4.3
315.14078	2.7
327.39584	1.7
345.10583	2.3
359.11960	2.4
374.47522	1.6
396.25333	1.7
407.62643	1.5
417.25012	13.1
418.25296	2.5
433.57465	1.4
477.06726	6.6
477.14468	8.0
477.23285	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	477.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
60.99284	9.2
61.98832	21.9
66.25064	2.2
68.45187	2.7
68.77353	2.4
71.01376	21.9
71.55146	2.8
72.99310	8.1
73.02953	11.6
74.99092	2.5
75.00863	6.9
83.05004	3.1
85.02952	10.3
87.00878	17.5
88.98809	65.3
89.02445	34.3
93.03474	3.6
99.00880	5.1
101.02443	12.2
102.98576	3.8
107.04986	3.1
113.02454	10.1
119.03503	3.6
123.04532	3.4
134.03769	6.4
135.02969	5.8
135.04491	10.7
138.51381	2.6
139.07646	8.9
150.03212	3.7
153.05597	3.5
153.09171	6.1
161.04523	6.9
165.05540	6.3
178.02679	4.1
183.06558	2.4
185.47624	2.8
193.05136	12.9
195.06566	2.6
197.08191	3.3
235.07617	3.3
241.07198	3.0
257.00876	28.4
258.01657	6.3
261.00366	18.6
274.01212	3.8
285.12366	4.1
311.09180	4.8
315.11099	6.0
315.14304	3.8
329.11282	6.2
345.10266	3.3
359.11884	4.4
359.16953	3.0
377.14499	3.3
417.24789	7.9
418.82825	2.9
477.06772	28.5
477.19061	7.7
477.24130	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36142	0.6
55.01871	1.0
57.03439	1.7
58.00593	3.6
59.01378	100.0
60.01715	1.6
61.69893	0.6
61.98830	6.1
62.25575	0.7
69.03455	1.2
69.55763	3.8
69.92506	0.6
71.01381	69.2
72.01738	0.9
72.99294	5.3
73.02948	6.1
75.00880	1.0
81.03423	0.7
83.01400	2.0
83.05047	1.8
85.02950	12.3
87.00866	5.3
89.02444	87.8
90.02758	1.1
90.98569	1.6
93.03467	3.0
95.01384	4.1
95.05049	0.8
97.02949	2.1
98.20798	1.2
99.00886	1.4
99.04529	1.6
101.02442	32.8
107.05006	1.5
108.02174	2.7
109.02936	2.1
109.06565	0.8
111.04502	1.2
113.02451	29.1
113.06109	0.7
119.03501	32.0
121.02959	16.3
121.06588	2.0
122.03661	1.0
123.04519	12.9
125.02398	1.9
128.78424	0.6
129.07091	1.0
131.03560	3.8
133.06570	0.7
134.03761	1.4
134.06044	0.7
135.04532	6.1
135.08168	5.6
137.06021	1.4
138.05557	2.9
139.04010	8.4
139.07588	1.1
143.03493	9.5
145.06586	1.3
147.04518	1.6
148.05269	1.3
149.04514	4.4
149.06030	9.1
151.07596	0.7
153.01837	1.3
153.05508	0.9
156.05962	0.6
157.06519	1.6
159.04454	1.1
159.08003	0.9
160.05191	1.4
161.02423	0.9
161.04578	11.3
161.05988	1.8
162.98566	0.6
163.07635	7.8
165.05470	1.6
168.04240	1.1
172.01683	0.7
173.06050	0.7
175.07591	3.0
177.05565	0.8
177.09132	1.0
179.05609	36.1
179.07074	1.6
180.05898	2.0
181.08676	1.0
183.06609	1.1
185.06013	3.6
187.03931	1.9
188.04654	1.7
191.07079	1.4
193.08694	7.9
203.07132	10.3
206.05853	0.9
221.08180	38.1
222.08415	2.9
239.09171	7.2
258.01559	0.8
259.02310	0.8
279.12253	1.6
287.01855	0.8
297.13388	21.2
298.13565	1.8
305.11417	1.0
314.00534	1.8
315.01413	4.4
358.54922	0.6
387.11612	0.8
389.12314	1.5
416.46890	0.8
417.20947	2.9
477.05878	1.6
477.14017	1.6
477.19528	12.5
478.19830	2.0
489.82642	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.2
57.03450	1.1
58.00584	1.6
59.01377	71.7
60.99274	1.1
61.98824	6.0
71.01379	29.1
72.99320	6.0
73.02940	2.7
83.01396	1.5
83.05018	1.1
85.02956	6.9
87.00874	4.2
88.98817	2.2
89.02445	26.1
95.01383	2.6
96.08775	1.0
98.19920	2.1
99.00873	1.9
99.04548	1.1
101.02442	16.6
106.06602	2.9
108.04541	3.2
113.02448	11.1
119.03497	10.1
121.02913	1.1
122.06107	2.6
127.07642	1.1
130.14905	1.0
131.03513	1.2
132.04552	50.3
133.04922	2.8
134.06123	39.4
135.04527	1.1
135.06477	1.1
139.07651	2.1
143.03416	1.2
150.05598	38.7
151.00343	1.9
151.05949	1.8
152.07146	2.6
153.09183	1.7
158.06157	3.4
161.04570	3.1
162.05624	2.1
176.07182	2.1
179.05565	3.5
223.74065	0.9
251.11903	3.9
269.00903	7.9
269.13010	3.3
279.11365	18.1
287.01968	2.1
297.00427	12.2
297.12457	32.2
297.16901	7.0
298.00803	1.9
298.12738	3.1
299.13852	1.8
314.12350	6.5
315.01453	2.8
352.90375	1.0
389.12570	1.9
459.17685	33.7
460.18030	4.2
477.07019	6.4
477.18768	100.0
478.18796	10.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	1.6
57.03443	2.2
58.00588	1.5
59.01382	100.0
60.01709	1.7
61.98832	13.2
66.99535	1.3
68.64103	1.2
69.03455	8.4
71.01382	93.2
71.54723	1.3
72.99305	5.4
73.02950	17.2
75.00336	1.2
75.00864	3.9
81.03452	4.4
83.01407	5.4
85.02947	14.3
87.00895	3.2
88.98839	1.7
89.02446	93.1
93.78234	1.5
95.01385	3.9
97.02937	12.3
99.00880	18.8
99.04518	3.2
101.02453	27.3
109.02969	2.3
110.00121	3.2
111.00902	2.7
112.53962	1.2
112.55067	1.5
113.02444	15.8
115.04002	6.2
119.03475	8.2
121.02942	2.6
125.02454	42.1
129.56982	1.2
131.03500	13.9
135.08237	1.4
135.98285	1.2
137.99580	2.4
138.05589	3.8
139.00414	1.7
142.48021	1.3
143.03491	4.2
149.04575	9.4
153.01941	87.5
154.02390	3.5
159.03011	2.6
161.04564	23.9
166.06334	5.0
168.04282	79.0
169.04640	2.7
173.04477	1.7
173.06041	1.4
179.05557	3.5
181.08698	5.8
183.06627	49.6
184.06995	2.1
191.05580	7.8
191.07118	2.4
203.06985	1.8
214.02617	1.5
221.08183	2.3
233.06685	35.4
234.06953	1.7
235.08136	1.5
244.17653	1.7
284.76154	1.4
287.10446	1.6
293.08777	26.8
294.09134	2.0
297.13495	3.1
314.00650	1.7
315.01401	3.1
345.11554	2.9
417.21381	3.3
477.06848	2.7
477.14429	2.8
477.19928	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	477.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	2.6
56.53808	1.0
57.03436	2.1
58.00590	3.7
58.44372	1.0
59.01377	98.0
60.01714	1.0
61.98825	14.7
69.03466	8.2
71.01382	100.0
71.55173	1.9
72.01741	1.5
72.99313	5.1
73.02944	15.9
75.00864	4.5
75.13607	1.2
76.18697	1.1
79.01911	1.2
81.03455	4.7
82.00632	1.2
82.87574	1.0
83.01370	6.5
83.05074	1.1
85.02943	19.7
87.00868	6.5
89.02444	95.0
89.77778	1.1
90.02756	1.2
93.67603	1.0
95.01374	4.5
96.96976	1.8
97.02956	13.5
99.00877	19.3
99.04524	3.0
101.02444	29.1
109.02871	1.4
110.00083	2.9
111.00912	2.5
113.02454	19.8
115.03992	7.1
117.07876	1.1
119.03484	4.2
121.02948	1.5
125.01514	2.4
125.02444	46.1
127.03970	2.2
131.03482	10.6
134.06149	1.4
137.99634	5.3
138.05609	2.5
143.03508	6.2
146.02612	1.1
149.04555	12.3
150.03157	1.0
151.00392	1.8
153.01935	99.9
154.02271	3.1
159.02980	2.5
161.04559	27.6
166.06343	9.2
168.04276	91.4
169.04599	3.7
173.04573	1.1
179.05579	2.3
181.08710	10.6
183.06615	63.1
184.06998	2.5
189.51067	1.1
191.05602	11.3
191.07176	2.1
231.02812	1.1
233.06671	36.6
234.06767	1.5
235.08209	1.7
267.08386	1.2
272.16690	1.2
285.12610	1.2
293.08752	27.1
294.09152	1.3
297.13474	1.9
314.00714	1.3
315.01437	3.1
315.14545	1.3
345.11871	5.0
417.21191	3.8
433.20834	1.4
477.06833	1.4
477.15106	3.9
477.20099	2.1
478.20410	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.278
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05236	0.5
63.55059	0.6
69.09855	0.5
70.19239	2.0
71.36184	0.5
78.95906	32.3
87.73507	0.5
96.96938	2.0
119.35578	0.6
122.00067	0.5
126.31458	0.6
140.01180	6.7
152.99602	3.3
171.00670	2.3
196.03775	11.2
214.04799	2.9
219.72322	0.6
279.23285	100.0
280.23648	7.8
281.69861	0.6
289.56076	0.7
476.27814	31.3
477.28265	3.0
485.85968	0.7
489.00620	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2781
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07116	0.4
63.98295	0.4
70.21845	1.9
76.76962	0.4
78.95904	100.0
96.96956	8.8
97.77641	0.4
152.99588	15.8
171.00638	17.4
279.23395	0.8
340.36273	0.5
402.24100	2.0
476.27802	52.7
477.28055	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.2
57.03434	2.4
58.00581	2.4
59.01381	69.3
61.98830	15.3
68.82961	1.1
69.03451	2.3
69.93467	4.5
71.01382	39.0
72.99317	5.0
73.02949	13.1
75.00874	4.8
81.03442	2.4
82.20380	0.9
83.01377	4.3
83.05022	1.7
85.02946	14.5
87.00873	5.4
89.02443	29.0
95.01386	2.0
95.24812	0.9
97.02980	5.1
97.03484	1.0
99.00842	2.3
101.02441	30.4
103.04021	15.7
111.00880	9.9
113.02464	7.3
115.03944	1.3
118.98036	1.2
119.03500	14.0
120.99607	1.2
122.03738	1.2
123.04517	1.4
125.02455	19.5
127.04021	2.3
131.03514	1.3
135.04518	1.4
135.98337	1.9
137.02356	1.1
138.05550	1.2
139.00377	100.0
140.00676	3.3
143.03497	4.8
145.05051	2.7
149.04562	1.0
149.06039	1.2
151.00327	1.4
151.03992	2.3
153.01924	3.5
153.05522	2.8
154.02721	91.9
155.03065	3.1
161.04520	3.0
161.98793	0.9
163.06120	9.6
169.05064	54.2
170.05400	1.6
179.05614	4.7
195.06616	1.6
205.07187	1.5
221.06587	1.2
229.07030	1.1
235.13284	1.7
247.08250	5.8
279.12405	1.7
297.09778	1.0
297.13324	1.1
307.07117	1.1
307.10352	4.7
315.10959	2.2
477.15503	23.6
478.15729	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80188	0.5
55.01881	0.8
59.01379	100.0
60.01706	1.2
61.98819	1.7
70.56202	0.8
70.56517	1.2
71.01386	8.1
73.02953	2.3
83.01391	0.9
84.13119	0.5
85.02950	3.2
87.00892	0.6
88.22081	0.6
89.02454	3.2
94.69301	0.5
95.01394	0.8
99.00900	1.2
99.13905	0.5
101.02444	6.1
103.31479	0.5
113.02454	4.2
114.26141	0.6
117.50406	0.5
119.03515	1.3
143.03511	1.1
147.04517	0.8
159.03099	0.7
161.04529	7.6
173.82721	0.5
179.05634	1.4
224.92433	0.6
228.75095	0.5
314.03760	0.6
345.19171	3.2
346.19669	0.6
415.23401	6.8
475.14404	0.6
475.26645	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3786
Annotation	Sipholenol F
Peak:m/z	Relative Intensity
59.01364	0.8
61.74030	0.2
61.98796	0.3
66.24928	0.2
70.11813	0.6
70.12200	0.4
71.01357	0.3
85.55920	0.2
132.92880	0.2
178.26004	0.3
187.31099	0.3
194.72490	0.3
208.21428	0.3
209.15375	0.3
247.33479	0.2
291.23352	2.6
292.23834	0.3
415.35999	0.3
429.37296	0.4
431.38989	5.8
432.39441	0.8
475.37943	100.0
476.38272	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	475.3793
Annotation	Sipholenol F
Peak:m/z	Relative Intensity
59.01374	2.1
61.98841	0.8
65.12475	0.7
65.98402	0.6
66.37650	0.6
68.26572	0.6
71.34412	0.7
71.34779	1.5
71.35909	0.7
79.09053	0.7
91.19215	0.7
175.80829	0.8
179.83679	0.7
328.97324	0.7
415.35861	0.9
429.37366	1.1
431.38919	13.6
432.39355	1.8
475.37985	100.0
476.38422	14.6
502.68796	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2781
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98254	0.1
59.01372	0.4
62.56736	0.1
70.99358	0.4
71.01399	0.2
78.95903	8.1
88.94356	0.1
96.96946	0.2
107.84528	0.1
111.75619	0.1
115.07762	0.1
117.75472	0.1
122.00143	0.3
140.01172	2.2
152.99580	0.9
171.00638	0.4
196.03798	1.2
214.04842	2.9
254.38020	0.2
261.22208	0.4
279.23270	100.0
280.23615	9.4
328.46396	0.2
431.44971	0.1
476.27802	8.8
477.28186	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2565
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.7
57.03442	0.9
58.00579	0.6
59.01378	100.0
59.72440	0.4
60.01721	0.8
61.02975	0.4
61.82972	0.5
61.98825	9.0
63.96267	0.6
67.06232	0.5
69.03453	3.6
71.01382	10.1
72.99307	6.0
73.02946	3.7
77.15788	0.5
79.90921	0.4
83.01414	1.3
85.02937	3.8
87.00896	1.4
89.02443	5.9
93.03458	0.7
95.01406	0.6
95.39019	0.4
96.99866	0.4
97.02957	1.4
98.20692	0.9
99.00867	2.6
99.04508	0.6
101.02435	7.1
102.98608	0.5
111.00881	0.6
113.02451	4.3
117.97330	0.7
119.03516	1.8
119.05025	4.1
120.05395	1.5
121.05620	0.7
123.17703	0.4
130.99103	0.5
135.98314	3.1
141.01894	0.6
143.03467	0.6
147.04544	1.3
150.05615	0.6
159.03075	0.7
161.04562	4.3
163.04005	1.8
179.05676	1.3
185.00928	4.4
195.08177	0.6
221.09741	0.7
222.10201	0.6
229.22423	0.5
269.11618	0.6
271.15768	0.5
285.03903	0.5
311.09439	1.3
313.10635	0.7
343.17114	0.6
355.12976	0.5
415.23193	9.8
416.23447	0.7
433.28644	0.8
475.09021	0.9
475.15442	2.8
475.22559	1.5
475.29794	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2559
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
60.01716	1.0
61.36976	0.3
69.25999	3.3
71.01390	1.4
72.57610	0.4
73.02942	0.6
74.78766	0.3
85.02978	0.4
86.65791	0.4
88.63398	0.3
93.03462	3.4
94.03796	1.0
96.99327	0.5
98.19889	0.5
101.02454	0.7
115.05568	0.4
117.52927	0.3
119.05029	1.9
120.05369	1.1
130.04269	0.7
131.04742	0.4
132.05803	0.4
136.11076	0.3
143.05031	1.1
146.07069	0.3
147.04495	0.5
163.04021	0.6
164.04385	0.4
195.08163	3.5
196.08458	2.9
197.08815	2.0
219.08099	1.0
219.20207	0.3
220.08548	0.8
221.09731	4.8
222.10052	4.0
223.10246	3.2
224.11644	1.9
225.11905	1.3
248.08305	0.5
249.09196	1.8
250.09508	1.6
251.09795	1.9
276.23077	0.3
278.87964	0.4
293.07886	0.4
295.08618	0.8
313.09802	0.5
331.32056	0.4
373.22565	0.3
475.15121	28.4
476.15265	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	475.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61834	0.5
51.40007	0.3
52.25909	0.4
55.01880	1.7
57.03438	1.9
59.01380	100.0
60.01715	0.7
60.99319	0.7
61.98831	5.8
66.70118	0.4
69.03455	1.1
69.93018	0.4
70.17419	1.7
71.01384	18.8
72.01736	0.4
72.99313	10.6
73.02943	5.8
74.65638	0.4
75.00874	0.8
76.87510	0.4
83.01373	2.3
83.05028	0.5
85.02950	8.0
87.00887	2.7
88.98826	2.3
89.02451	6.2
95.01399	1.6
97.02978	0.9
99.00862	2.7
101.02444	10.9
102.98611	1.2
113.02447	7.5
115.04045	0.6
117.01983	0.6
119.03493	1.9
119.05035	1.0
120.99669	0.9
121.02959	8.5
125.02474	1.1
129.01982	0.9
133.87666	0.4
143.03551	1.2
149.04550	0.5
152.03505	0.6
159.02962	0.8
159.04530	0.6
161.04553	6.2
165.04068	0.5
173.00957	0.5
179.05679	1.1
179.10788	0.6
185.00937	0.7
195.13937	0.9
209.86266	0.4
239.05577	3.3
253.10927	0.5
253.14619	0.5
255.16043	0.6
271.16248	0.6
271.19116	4.8
327.08884	1.2
367.21362	0.9
403.30405	0.5
415.23392	24.5
416.23694	2.5
420.24500	0.5
433.24438	17.6
434.24640	2.0
443.08713	1.2
475.19876	0.5
475.26016	4.4
476.26230	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	1.3
58.00602	1.2
59.01379	100.0
60.01733	0.9
61.98830	12.9
69.03460	1.8
69.29592	4.7
69.30004	1.9
70.31147	0.7
71.01383	14.8
72.99310	3.1
73.02946	4.3
74.02478	9.0
75.00870	0.9
81.03461	0.8
83.01398	2.9
85.02955	6.5
85.28886	0.7
87.00903	2.6
89.02454	10.9
95.01407	0.9
96.51231	0.6
97.02960	1.1
97.06537	0.9
99.00903	2.0
99.04525	1.3
101.02451	11.7
101.06048	1.0
102.98586	0.7
111.00891	1.4
111.78973	0.7
113.02451	9.1
119.03518	4.4
119.05042	1.1
121.02966	0.9
122.29012	0.7
125.02476	1.4
126.87142	0.8
131.03545	1.2
135.04489	0.9
135.98387	0.8
143.03499	1.9
147.04582	1.0
149.02444	1.5
149.04567	1.0
150.03232	4.4
151.03613	0.9
159.03030	0.7
161.04590	5.8
165.02043	0.8
165.05528	4.2
179.05638	1.7
195.06779	1.6
219.02992	0.9
232.01431	0.7
234.05481	1.2
253.14624	0.8
279.08823	0.9
327.08875	1.4
345.11026	1.5
357.15604	1.1
371.09964	0.9
389.22116	1.9
415.23276	11.2
416.23914	0.9
426.71445	0.8
427.14282	2.6
433.24399	2.2
475.21722	4.3
476.24915	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	475.1396
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01104	2.1
59.01379	33.0
61.98829	16.2
64.91414	1.3
70.90443	1.6
70.90784	3.3
71.01380	10.7
72.99306	63.3
83.01424	1.4
85.02934	1.4
87.00861	1.7
89.02445	2.6
92.87862	1.5
93.03456	24.8
95.55464	1.4
101.02432	3.4
108.02155	9.2
109.02950	2.1
113.02445	2.3
115.00377	16.9
117.03468	2.5
119.05009	16.0
121.02959	4.6
130.04231	2.3
131.05038	2.5
133.06660	1.4
134.03743	2.7
136.90216	1.6
143.05014	1.9
145.06589	32.0
147.04543	14.3
149.06107	1.9
159.04524	2.5
161.05971	1.5
162.03218	4.3
163.03943	5.9
177.05727	1.5
179.03603	1.6
183.08145	8.2
195.08144	6.1
197.15532	1.4
198.75671	1.5
206.07466	1.6
209.06055	4.8
209.09724	3.4
210.06796	3.5
211.07608	13.6
214.13004	1.4
219.08342	1.7
220.08810	1.6
221.09785	2.6
222.06851	2.8
223.07605	9.9
224.08163	1.9
227.07013	1.6
233.09633	2.8
235.07726	4.2
237.09195	100.0
238.09795	13.4
239.10684	13.4
240.11002	1.4
253.08673	36.3
254.09029	2.9
283.09705	1.7
285.12845	9.7
295.09738	2.2
297.12885	8.9
313.15909	12.7
314.16245	1.8
315.13904	4.4
325.15976	18.9
326.16174	2.5
327.08725	4.2
327.13766	1.7
343.16962	6.3
351.13724	3.0
359.12866	8.6
369.14923	3.7
387.15942	4.7
401.13882	6.3
404.33008	1.5
412.18259	13.6
413.13794	6.8
415.23477	2.8
427.82941	1.7
431.15045	12.0
457.12756	2.6
475.14001	57.0
476.14282	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56567	0.3
57.03468	0.4
59.01379	6.1
61.98831	0.7
70.94704	0.8
71.01382	2.1
80.76670	0.4
81.03468	0.4
83.01399	0.4
85.02970	0.9
89.02468	2.2
96.95985	0.6
101.02437	1.2
108.02173	23.7
111.30126	0.4
113.02457	0.4
119.03525	0.7
123.04527	11.8
125.02451	0.5
142.79681	0.4
152.01146	51.9
153.01454	2.0
161.04576	0.4
165.05566	1.5
167.03488	100.0
168.03839	5.1
175.07712	0.5
177.03360	0.5
195.06662	1.0
202.05490	0.6
207.50847	0.4
233.11772	1.1
277.10934	0.5
290.49368	0.4
291.51535	0.4
310.46396	0.3
313.12930	1.0
473.67410	0.4
475.13797	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	475.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64407	1.4
52.28066	1.6
57.03451	17.9
58.00594	2.6
58.80181	1.3
59.01380	100.0
61.98836	6.8
61.99110	1.5
64.47771	1.4
64.79992	1.5
69.03458	12.4
71.01000	2.8
71.01381	43.2
71.55342	2.4
72.99299	8.0
73.02944	3.9
74.37009	1.5
83.01395	16.8
83.05021	2.6
85.02954	12.3
87.00866	4.4
89.02443	43.7
93.03406	1.6
95.01406	3.1
96.96046	1.7
97.02969	4.1
98.38960	1.3
99.00877	4.0
99.04529	10.0
101.02441	25.0
109.06506	1.7
113.02454	15.2
119.03518	17.9
119.05002	1.8
119.08639	2.4
121.02903	1.4
125.02389	2.9
131.03496	3.3
131.08641	2.7
135.02951	3.1
135.04506	2.5
136.05232	3.0
136.99237	2.0
143.03484	2.8
147.08162	3.3
147.11768	4.9
149.06023	2.6
149.09702	1.9
151.03941	1.8
161.04520	4.9
161.09715	4.1
163.07654	4.1
165.05574	3.4
167.03490	1.9
171.11809	5.2
173.09715	5.3
175.07642	27.7
179.05624	8.2
179.07021	1.8
185.00885	9.2
187.11140	1.5
189.12849	19.4
191.10782	4.9
195.06670	8.4
211.09732	2.5
215.10722	2.9
217.08687	1.9
233.11841	58.1
234.12184	4.9
235.09723	1.7
277.10815	33.6
278.11108	2.0
281.10510	1.8
295.11908	1.6
357.12289	2.0
375.48575	1.5
457.16974	8.0
475.16885	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	475.1398
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.9
57.03450	1.2
59.01380	100.0
60.01715	1.3
61.98830	25.6
64.54385	0.8
69.03447	1.9
70.51191	1.3
70.51530	1.0
71.01380	20.7
72.99324	2.7
73.02955	5.0
76.50245	0.7
83.01389	2.1
83.05024	0.8
85.02951	6.2
87.00890	2.8
89.02447	9.1
93.03463	6.6
95.01390	0.9
95.91109	0.6
97.02967	0.9
99.00868	2.4
101.02446	11.8
106.04240	2.6
108.02192	1.7
111.00923	0.7
113.02443	6.5
115.00386	5.3
117.03477	2.5
119.03525	4.1
119.05013	5.1
122.76839	0.7
123.04482	0.8
125.02457	1.4
130.04260	1.5
131.03517	0.8
131.05014	5.4
132.05809	1.3
132.94566	0.7
133.03067	0.7
133.06595	1.9
143.03468	1.7
145.06602	11.1
147.04538	2.7
149.04500	0.7
159.02997	1.5
161.04572	8.0
163.03964	1.3
179.05614	2.5
182.07361	7.1
183.08096	1.4
185.00890	0.9
190.64433	0.7
195.08202	1.8
196.08916	3.6
197.09698	20.3
198.06839	1.8
198.10004	1.7
207.08162	5.0
208.08908	11.7
209.09512	1.7
210.06905	1.0
210.10461	1.3
211.07602	1.0
221.06273	1.0
221.09793	3.9
222.06862	2.8
223.07658	2.4
223.11253	22.0
224.11658	2.5
228.07941	2.8
235.11200	0.9
236.08481	0.8
237.09142	2.1
238.10039	2.3
239.10793	2.8
242.09494	1.0
249.12981	1.6
253.18015	1.4
265.12387	1.0
267.10211	10.1
268.10641	1.0
284.95703	0.8
293.08209	1.1
299.10663	1.2
300.11444	6.2
301.12186	1.0
311.09229	16.9
312.09457	1.2
313.12253	2.1
314.13010	1.5
315.13867	14.0
316.14365	1.1
327.08835	0.8
327.13849	3.0
328.14691	2.2
331.24792	0.9
341.15442	10.5
342.15869	1.4
343.16995	92.5
344.17319	10.6
357.14978	2.7
359.12961	5.3
360.13370	0.9
367.13330	2.6
369.14984	11.0
370.15256	1.4
387.16000	16.5
388.16223	2.6
413.14120	1.2
415.23285	24.9
416.23727	2.4
431.14966	8.0
432.15109	0.9
433.23981	1.6
475.13965	22.6
475.28967	5.2
476.14731	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	473.3632
Annotation	CHEBI:66216
Peak:m/z	Relative Intensity
57.42683	0.7
59.01380	2.5
67.55782	0.7
69.36346	0.7
71.01377	2.1
71.54532	1.0
72.93268	0.7
73.14685	0.7
82.50732	1.0
108.16188	0.8
200.19469	0.8
203.66911	0.8
205.15895	1.1
207.17564	1.6
329.48169	0.8
411.32822	2.6
413.35315	1.0
415.35852	1.8
425.34256	1.1
427.35889	4.8
429.37704	1.9
443.35333	3.4
455.35709	4.6
456.35977	0.9
473.36539	100.0
474.36841	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	473.3636
Annotation	Machaeroceric acid
Peak:m/z	Relative Intensity
59.01373	1.0
59.58117	0.5
61.39034	0.5
61.98795	0.6
71.24517	1.0
73.01063	0.5
78.61681	0.6
81.49175	0.4
84.81100	0.5
109.06595	1.1
123.08157	1.8
134.07440	0.6
134.87135	0.6
137.36188	0.5
168.13843	0.5
205.15970	8.9
206.16304	0.7
326.82788	0.5
378.46265	0.5
393.31400	1.0
395.33258	1.4
409.34735	12.1
410.35385	2.5
411.36313	34.3
412.36542	4.8
429.37338	18.1
429.43259	0.7
430.37677	3.3
443.35065	0.8
455.35077	1.6
457.25055	3.9
473.28271	33.5
473.36270	100.0
474.28708	5.0
474.36606	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	473.3636
Annotation	Sipholenone E
Peak:m/z	Relative Intensity
53.51609	0.7
59.01374	2.1
59.67068	0.6
60.99316	10.5
61.98817	1.0
69.74399	3.7
71.05029	0.9
80.02646	1.0
80.79998	0.6
90.02982	0.7
98.20000	0.8
101.81357	0.7
103.29096	0.6
113.18102	0.7
113.51744	0.9
116.92796	0.8
117.82984	0.9
137.09726	1.1
188.90828	0.7
207.17621	0.7
290.89664	0.7
294.89017	0.6
298.06918	0.8
373.34708	0.9
393.31757	0.7
409.34732	37.7
410.35049	5.8
411.36200	1.5
417.33820	2.5
429.33496	1.0
455.35135	1.7
473.36395	100.0
474.36731	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	474.2623
Annotation	Unknow
Peak:m/z	Relative Intensity
54.63551	0.4
59.01365	1.1
61.82092	0.4
71.00051	1.0
78.95905	11.9
89.27386	0.3
90.05471	0.4
96.96967	0.5
140.01199	2.8
152.99571	1.2
171.00633	1.1
196.03841	1.5
214.04874	3.5
235.46660	0.4
275.20154	0.7
277.21713	100.0
278.22061	8.3
447.46964	0.4
474.26273	10.5
475.26614	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2623
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32994	0.6
59.01378	1.1
62.06297	0.6
62.96391	0.7
70.96018	0.8
70.96336	1.2
75.88274	0.7
78.95901	61.9
96.26329	0.7
96.96962	4.4
111.61267	0.6
122.00132	1.6
123.82012	0.7
140.01186	6.3
152.99591	7.1
171.00638	8.0
186.06020	0.8
196.03813	12.2
214.04826	2.8
214.60678	0.7
277.21701	100.0
278.22009	7.8
290.62561	0.7
294.62979	0.8
315.32278	0.7
318.06042	0.8
474.26236	45.3
475.26700	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	475.0882
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15533	0.5
54.64811	0.6
59.01380	33.3
60.01715	1.1
61.98827	9.4
65.00320	0.9
68.99803	1.2
69.28186	1.4
69.28591	3.9
71.01389	5.6
72.99295	1.0
73.02938	1.1
75.00871	0.7
75.48061	0.5
81.89251	0.5
83.01382	1.6
85.02937	2.3
87.00860	1.3
89.02440	4.5
91.01852	0.6
93.03456	1.7
101.02458	3.5
107.01386	1.2
108.02177	1.0
108.99379	0.6
109.02972	3.6
111.00872	0.9
113.02454	3.1
119.01367	1.3
119.03492	1.8
119.05032	1.7
121.02969	3.5
123.00887	0.5
124.01648	1.0
135.00870	2.4
136.01694	0.8
137.02452	1.0
143.05032	0.6
147.04509	0.8
148.01659	3.4
151.00359	1.7
153.01897	0.7
159.04466	0.6
161.04510	2.5
163.00354	4.8
163.03958	0.7
164.01106	1.6
165.01924	1.4
166.03957	0.6
167.05061	0.7
174.03384	0.6
176.98228	1.0
178.99855	13.8
179.05525	0.6
181.12337	1.3
183.04549	1.7
184.44962	0.6
187.03940	1.4
189.99103	1.7
190.99886	4.1
192.00655	7.3
195.13852	5.9
197.09605	0.6
198.03255	1.6
199.03934	2.1
200.04724	1.2
203.03476	1.1
206.99339	1.1
211.04004	5.8
212.04691	0.8
213.01955	0.8
213.05510	0.8
215.03485	1.1
216.04138	1.1
226.02768	4.5
227.03485	10.0
228.04021	1.0
229.05064	2.4
237.09169	0.8
239.03487	6.4
240.04057	0.8
243.02965	2.6
244.03700	0.8
245.04500	1.5
253.14436	1.4
254.02322	1.4
255.02972	19.1
256.03677	3.1
257.04477	1.3
266.02155	0.8
269.15567	1.4
271.02463	38.6
272.02954	5.0
273.04004	2.2
281.01013	1.0
282.01703	4.9
283.02472	28.8
284.02841	2.5
291.06723	1.1
299.01987	6.7
300.02750	5.1
301.03464	8.6
311.02032	6.6
311.16559	0.8
313.18030	1.1
327.01648	0.9
327.98181	1.3
328.02228	76.4
329.02982	100.0
330.03354	7.9
342.03470	0.7
345.15219	1.9
348.00333	0.6
415.23126	2.9
475.08798	59.2
475.14642	3.1
475.22333	3.2
476.09033	6.5
476.14835	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.2
59.01380	100.0
61.60622	1.1
61.98817	3.0
65.28064	0.8
69.43513	4.8
69.43919	2.6
71.01375	10.2
72.99313	1.5
73.02949	5.2
83.01401	1.7
85.02950	4.8
89.02452	4.3
99.00851	1.8
101.02448	10.3
113.02459	3.8
119.03519	1.8
131.73877	0.9
133.87978	0.9
136.64272	1.0
151.19594	0.9
158.92087	1.0
161.04530	3.1
193.12308	3.4
205.10126	1.2
223.11311	4.5
249.09125	3.7
251.16492	10.5
267.10321	2.7
293.08148	1.2
320.61508	1.1
413.21652	22.5
414.21945	3.1
419.05139	1.1
431.22702	3.4
473.14294	4.0
473.23740	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	473.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
60.01688	2.0
61.98819	3.2
69.43477	1.7
69.43887	7.4
80.84118	1.2
109.40829	1.2
140.84941	1.2
211.15195	1.2
221.74074	1.4
458.88660	1.2
472.35291	1.9
473.35709	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	0.5
57.27123	0.3
59.01379	100.0
60.01721	0.8
61.98833	3.6
62.07465	0.4
63.04126	0.4
69.03476	0.7
70.43187	1.3
71.01382	5.7
72.99311	1.8
73.02961	1.6
75.00858	0.6
81.03450	0.4
83.01388	1.0
83.05029	5.7
85.02943	2.1
87.00880	1.1
89.02435	2.9
93.03461	0.8
94.04235	1.0
95.01425	0.7
95.05054	0.5
99.00882	0.9
100.00452	0.4
101.02451	3.8
109.02968	0.7
113.02465	3.1
117.01951	0.6
119.03529	1.2
119.05038	3.1
120.99682	0.5
123.04534	0.8
125.02477	1.0
125.09705	2.1
127.07697	0.4
134.03781	1.4
135.03023	0.5
135.04562	0.8
137.02486	1.5
138.05548	0.5
138.88359	0.4
143.03508	0.3
149.02414	0.4
149.06104	0.7
149.09731	8.2
150.10158	0.5
151.03938	0.4
155.07108	0.4
159.02963	0.9
160.79431	0.4
161.04576	5.4
163.03989	2.5
165.01888	0.5
165.05594	0.8
167.03557	0.4
167.10764	4.6
177.05624	0.7
178.02734	1.1
179.05626	0.6
181.05197	0.4
189.01964	0.3
191.03494	0.4
193.05078	3.7
193.80295	0.3
209.04544	0.5
215.14464	0.4
221.04550	0.8
233.04677	0.7
233.15425	2.9
249.07849	0.3
251.09105	0.4
251.16542	1.9
275.05652	0.9
353.08649	1.8
355.10480	0.5
473.12476	1.8
489.97971	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1451
Annotation	Peperomin F
Peak:m/z	Relative Intensity
57.03445	3.2
58.00573	0.6
59.01377	77.4
61.98824	5.4
69.03438	1.7
71.01382	12.3
72.98886	0.8
72.99303	13.9
73.02948	4.8
83.01368	2.5
83.05019	1.0
85.02944	3.9
87.00854	2.4
89.02435	4.5
89.05288	0.7
93.03455	16.3
96.99314	3.6
97.02943	0.9
98.19930	1.8
99.00854	1.9
101.02449	8.1
102.98572	2.1
109.17641	0.6
113.02441	4.0
115.00359	2.2
115.05527	3.6
117.01952	1.3
117.03468	1.1
119.03584	1.4
119.05020	22.4
121.02963	0.8
123.04484	0.9
125.02396	0.7
127.00362	1.1
130.04239	6.0
131.05048	4.0
132.02223	0.6
132.05792	3.6
134.03743	1.2
134.87581	0.6
137.02484	0.7
141.59161	0.7
143.03429	0.8
143.03784	0.8
143.05031	13.8
144.05383	1.1
145.01335	0.7
145.06578	1.5
147.04523	9.5
149.09729	0.9
158.03716	5.0
159.02972	0.9
161.04549	4.4
163.04013	8.4
167.10841	0.9
169.12427	0.6
171.04547	1.3
176.04662	0.7
193.05089	0.8
195.08136	45.0
196.08470	3.6
206.07312	2.2
207.05186	0.8
207.08121	4.0
219.08121	12.1
220.08665	1.3
221.09695	66.9
222.10051	5.2
223.11249	14.9
224.11636	1.1
231.08298	0.8
233.15370	1.1
234.06897	2.2
237.09201	1.1
246.13777	0.7
247.07709	5.2
248.08405	12.5
249.09171	48.6
250.09569	5.0
251.12929	0.7
251.16544	1.9
267.10223	1.9
269.17480	0.8
292.07416	9.0
293.08109	10.0
294.08444	1.1
309.57938	0.7
311.09219	2.0
325.07709	4.4
327.08569	2.8
370.75647	0.7
413.21939	3.4
431.22510	3.8
455.13458	2.4
473.14502	100.0
474.14890	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	473.1453
Annotation	Scrophuloside A
Peak:m/z	Relative Intensity
58.32606	0.5
59.01379	24.7
61.98835	1.5
62.57912	0.5
69.03455	0.9
69.45751	2.3
69.46163	1.4
70.75152	0.5
71.01381	5.8
71.52779	0.5
72.99326	0.6
73.02944	2.7
83.01379	1.0
85.02957	1.5
85.40551	0.4
87.73261	0.4
89.02460	2.2
90.34267	0.5
90.95402	0.5
93.03454	6.4
95.01418	0.6
98.20669	0.5
101.02463	3.3
103.05544	0.9
108.02175	1.2
113.02448	2.3
117.03469	1.0
119.05029	100.0
120.05386	3.8
121.02977	0.7
125.02394	0.7
133.06619	0.7
135.04515	0.7
143.03532	0.8
147.04532	9.6
161.04553	1.4
161.05997	0.5
163.04010	42.1
164.04375	2.0
165.05629	0.7
179.05605	0.6
195.08157	1.3
221.09708	7.1
222.10359	1.7
223.11246	9.1
236.08391	0.6
237.09238	5.8
249.09129	1.1
267.10275	8.3
269.17676	0.6
293.08414	0.6
311.09256	33.3
312.09662	3.9
325.09320	1.4
413.21808	2.5
431.22888	0.8
473.14450	33.3
474.14728	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	473.1452
Annotation	CHEBI:65772
Peak:m/z	Relative Intensity
59.01383	0.6
69.47548	1.0
69.47968	1.8
71.01376	1.8
93.03460	14.0
96.99307	3.8
99.94816	0.4
105.46100	0.4
115.00368	1.3
115.05523	1.6
117.03464	0.8
119.05026	7.9
121.02999	0.6
130.04243	2.9
131.05014	3.4
132.05829	2.2
134.03722	0.5
143.05019	4.7
145.06572	0.7
147.04535	3.0
158.03683	1.3
163.04004	4.9
176.04796	0.8
187.03975	0.5
195.08151	22.9
196.08478	1.5
202.02699	1.1
206.07312	0.9
207.08105	3.0
219.08153	4.9
221.09712	39.3
222.10159	3.2
223.11279	21.6
223.14557	0.6
224.11574	1.2
231.08031	1.1
234.06842	1.1
237.09184	1.0
247.07646	0.8
248.08394	5.4
249.09192	21.0
250.09453	1.0
267.10205	0.9
292.07413	2.8
293.08246	3.9
294.08917	0.5
311.09180	2.9
364.63138	0.4
455.13409	1.0
461.65424	0.5
473.14499	100.0
474.14865	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	472.1671
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	7.2
61.98830	100.0
69.31976	3.8
71.01402	1.4
73.02975	0.6
85.02940	0.6
87.00863	0.6
89.02447	1.1
98.94754	0.5
101.02486	1.1
113.02463	0.9
120.48413	0.4
134.03752	0.7
137.02478	0.8
147.00769	0.4
149.06104	0.7
165.66185	0.4
178.02592	0.4
193.05042	2.3
197.59248	0.5
199.89922	0.4
243.69452	0.4
458.45349	0.6
475.48758	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1087
Annotation	Kaempferol 3-(4''-acetylrhamnoside)
Peak:m/z	Relative Intensity
59.01381	17.8
61.98827	3.2
70.95937	0.8
70.96262	0.5
71.01382	5.3
72.99300	0.9
73.02946	1.7
83.01406	1.5
83.04555	0.4
85.02958	2.4
87.00897	1.9
89.02443	1.2
93.03468	1.6
101.02439	2.1
107.01392	2.5
109.02921	0.7
113.02470	1.9
115.05563	0.7
117.03448	0.5
119.03537	0.5
119.05039	1.2
125.02461	0.9
131.05011	0.8
132.02177	1.2
135.00887	1.2
143.05009	1.3
145.02934	0.7
145.06628	0.4
147.04491	0.8
151.00360	1.7
153.01917	1.1
159.04543	1.0
161.04529	1.4
163.00423	2.1
163.04070	1.0
165.01936	0.5
167.05078	0.6
169.06610	0.5
171.04494	0.5
181.77814	0.4
182.03706	0.5
183.04491	2.1
184.05086	0.4
185.02446	0.7
185.06090	1.9
187.03929	2.6
189.05617	1.0
195.08209	0.6
197.06058	1.0
199.04095	0.8
211.03986	2.7
213.05554	1.8
215.94785	0.4
221.09714	0.6
223.07642	0.6
227.03487	56.2
228.03836	4.3
229.05037	11.3
239.03491	1.9
240.04272	0.5
241.05087	1.4
249.09085	0.7
251.07077	1.6
251.16685	1.0
255.02975	78.9
256.03549	10.3
257.04492	5.0
267.03058	1.4
279.10062	1.1
284.03250	72.3
285.04016	100.0
286.04379	9.1
295.09802	1.5
311.09012	0.8
327.04950	1.0
412.33496	0.4
413.21661	1.9
413.25717	1.5
431.22372	0.5
431.27231	0.6
473.10818	60.4
473.23636	2.8
474.11121	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	473.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	40.1
61.98832	2.2
62.90623	0.6
69.03461	1.9
71.01379	7.3
71.55113	0.8
72.99298	4.0
73.02971	3.2
75.00874	1.7
76.66601	0.7
83.01373	1.0
85.02941	2.5
87.00890	1.4
88.98804	0.6
89.02437	4.0
93.03455	2.6
97.02947	1.1
99.00867	1.2
99.04479	0.6
101.02444	4.8
102.98618	1.2
103.00381	1.1
113.02455	2.7
117.01944	2.4
119.03587	1.3
119.05048	2.9
121.02968	1.6
128.03525	0.8
133.02995	1.1
134.03748	41.0
135.02992	3.6
135.04021	1.6
135.08122	1.0
137.02454	11.8
139.04010	1.9
143.03424	0.8
149.06102	14.8
152.07236	0.6
161.04494	2.1
163.04022	1.8
177.06769	0.7
178.02724	29.6
178.04285	1.5
179.03232	0.9
179.05585	1.3
185.00906	1.5
193.05055	100.0
194.05391	5.0
203.01855	1.0
251.09531	0.6
255.05202	0.9
311.07779	1.0
327.08780	1.2
355.10367	7.3
356.10495	1.1
413.22119	1.5
473.12424	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	473.145
Annotation	Peperomin F
Peak:m/z	Relative Intensity
57.84916	0.8
59.01379	15.5
60.11554	0.6
60.87593	0.8
61.15025	0.7
61.98822	3.0
62.76673	0.7
63.30655	0.7
69.47861	5.2
71.01374	8.8
73.02951	3.8
83.01382	1.2
85.02960	1.6
87.12721	0.6
87.79604	0.7
89.02443	1.4
91.05527	1.0
93.03462	5.4
100.12637	0.7
101.02445	3.7
103.05550	1.6
113.02454	2.0
117.07105	1.8
119.05029	35.6
120.05350	1.3
130.04263	0.9
131.05029	5.5
132.05801	8.7
137.06030	0.8
143.03368	0.7
147.04532	16.4
161.04526	1.3
163.04021	20.6
164.04265	0.9
175.07607	1.7
176.04803	1.4
193.08646	1.1
195.08145	100.0
196.08495	6.6
221.09703	7.3
222.10086	1.2
223.11272	27.6
224.11589	1.9
233.11728	0.8
237.09135	4.2
267.10245	13.8
268.10699	1.6
365.76276	0.8
378.01138	0.8
444.53900	0.7
473.14511	66.4
474.14789	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	471.3475
Annotation	Odoratone
Peak:m/z	Relative Intensity
50.91110	0.7
52.60749	0.7
59.01389	3.1
61.98823	1.6
68.50538	0.6
70.02104	1.3
70.02497	1.8
107.36137	0.6
124.33153	0.7
128.03223	0.6
206.10515	0.6
239.22960	0.6
253.17354	0.6
471.34839	100.0
472.35233	15.4
472.40146	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3481
Annotation	Odoratone
Peak:m/z	Relative Intensity
53.51035	0.7
59.01368	2.6
61.98824	2.7
69.30260	0.6
71.01371	0.8
71.54745	0.7
120.14868	0.9
129.73839	0.7
291.19733	1.0
407.33307	1.5
415.81403	0.8
420.36539	0.8
453.33279	0.9
471.34839	100.0
472.28976	1.4
472.35153	15.3
485.41333	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2246
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06107	0.3
59.01378	100.0
60.01711	1.1
64.55009	0.3
69.32284	3.0
71.01378	1.1
72.99310	0.6
73.02940	2.4
75.00902	0.3
79.92159	0.3
83.01376	0.7
85.02934	0.4
89.02446	0.6
98.19875	0.8
101.02429	2.0
105.01935	5.6
113.02475	1.5
115.23442	0.3
137.69185	0.3
142.06392	0.3
147.04497	0.6
154.03635	0.3
161.04559	0.7
251.10806	0.4
295.09811	0.9
375.03107	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54364	0.4
59.01380	100.0
60.01724	1.1
61.98834	0.6
69.03461	0.7
71.01380	5.6
72.99302	0.7
73.02943	3.1
76.45827	0.4
81.03462	1.6
83.01401	1.3
83.05041	0.7
84.02164	0.7
85.02949	2.5
87.00916	0.7
89.02473	1.6
94.04261	0.6
95.05019	0.5
97.02963	1.1
97.06669	0.4
98.03735	2.0
99.00914	1.7
99.04527	4.1
99.92579	0.7
101.02440	4.9
113.02457	3.1
115.92043	0.8
116.92847	3.2
117.92915	0.5
119.03529	1.0
123.08163	0.6
133.06622	0.5
137.57843	0.5
141.01952	0.9
149.06131	0.4
149.09746	2.1
161.04562	2.3
167.10786	4.6
171.32513	0.5
173.06082	0.5
173.86646	0.5
201.12872	0.5
203.05730	0.6
211.07518	0.6
215.43120	0.5
231.13963	1.1
249.15007	1.4
267.16055	1.3
411.20462	2.1
429.21680	1.2
471.16043	0.6
471.22244	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	471.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42959	0.4
55.01878	2.1
55.54110	0.4
55.62113	0.5
57.03431	0.5
59.01379	100.0
60.01723	1.1
61.98821	1.5
69.03455	4.8
69.29324	3.5
71.01384	21.8
72.01739	0.4
72.99310	8.2
73.02949	4.0
83.01388	12.4
83.05014	0.7
85.02956	3.4
87.00878	24.0
89.02443	3.1
90.36381	0.4
94.82655	0.4
95.01398	1.3
97.02972	1.2
98.00099	0.5
99.00877	9.2
99.04530	0.7
101.02439	5.3
105.01952	1.9
109.06606	1.2
113.02442	4.6
115.00370	1.4
119.03515	1.4
119.05112	0.4
121.06600	6.8
122.33991	0.4
127.00379	9.3
127.07642	0.9
129.01953	0.7
131.03543	0.8
137.09714	0.5
141.01985	0.8
142.99873	5.8
143.03502	0.9
147.04468	1.9
157.01483	0.4
161.04559	3.7
161.09778	0.5
163.04015	0.5
163.11194	0.4
165.05560	28.7
166.05934	1.3
179.05673	1.0
185.00931	4.6
191.10860	0.5
195.13861	0.8
211.07698	0.9
249.11435	0.5
249.14935	2.9
253.07181	11.1
254.07561	0.8
262.06226	0.5
267.16006	3.1
273.02536	1.1
305.05179	0.6
339.14282	0.5
411.20334	5.4
429.21243	2.5
430.22021	0.5
471.22983	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	471.3476
Annotation	Odoratone
Peak:m/z	Relative Intensity
59.01371	0.8
70.06108	0.8
83.05029	0.4
86.72729	0.3
100.84532	0.3
123.08183	0.3
132.52803	0.3
141.14056	0.3
154.09335	0.3
161.54459	0.3
201.29065	0.3
369.27975	2.5
370.28455	0.5
409.31268	0.5
410.20682	0.3
423.32672	2.7
425.34186	2.2
439.28940	0.4
453.29971	0.3
471.34799	100.0
472.35159	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	471.3477
Annotation	Hispidone
Peak:m/z	Relative Intensity
50.99665	0.2
59.01370	1.1
61.98829	0.6
63.47198	0.3
69.22859	2.5
75.41832	0.2
99.30231	0.2
120.21760	0.3
262.73346	0.3
339.26865	1.9
357.28210	0.3
405.31519	0.3
409.31110	0.5
423.32889	0.9
425.34360	0.9
451.31876	0.3
453.33688	0.6
471.34811	100.0
472.35153	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	471.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
54.72401	0.7
59.01379	56.2
61.98831	2.3
69.03449	3.0
71.01378	11.5
71.55510	1.1
72.26279	0.7
72.99306	100.0
73.02939	5.9
73.99643	1.6
82.95399	1.5
83.01392	2.5
85.02956	2.5
87.00877	1.4
89.02448	6.0
97.02955	2.6
99.00874	3.6
101.02433	8.4
103.05523	1.6
113.02438	6.4
117.01918	2.6
119.03489	2.4
121.13873	0.8
125.02413	1.2
135.03024	1.5
143.03448	1.2
147.04521	26.7
148.04877	1.8
151.07625	1.7
152.08429	2.9
153.09206	5.8
161.02489	0.9
161.04494	1.3
173.00945	2.5
179.05676	1.6
185.00908	2.6
189.10207	1.0
191.01968	3.8
205.03487	1.2
205.12305	2.1
211.07668	3.9
219.18356	0.8
249.15051	2.2
265.07129	5.4
267.15985	2.8
321.06030	2.9
322.06772	0.8
323.06235	9.1
367.17572	3.6
393.19153	1.4
410.79758	0.8
411.20099	4.4
429.21210	4.4
471.11505	2.3
471.23138	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01890	1.1
56.33557	0.8
57.03444	2.0
58.00590	0.9
59.01379	100.0
60.01724	1.0
61.74067	0.8
61.98832	6.0
69.03452	4.0
69.22861	2.7
69.23283	6.1
69.98679	0.9
71.01005	1.5
71.01384	18.0
72.99302	4.2
73.02939	6.9
75.00877	1.1
82.97960	0.8
83.01396	4.6
85.02945	8.5
87.00882	3.8
89.02451	5.8
95.01379	1.6
97.02962	1.1
97.06622	1.1
98.19865	1.6
99.00880	2.9
101.02450	10.0
101.12973	0.9
105.01914	1.4
111.00835	1.3
113.02451	12.1
119.03483	2.3
119.05025	1.6
119.57704	0.9
120.99671	0.9
122.03649	1.2
127.58280	0.8
135.03122	0.9
139.00410	1.1
147.04555	2.3
157.01471	0.9
161.04588	2.5
185.00899	1.7
211.13354	1.4
222.10277	1.1
223.11182	1.2
235.11139	1.0
237.12793	2.1
249.14893	3.2
251.10675	1.2
267.16025	1.9
273.20782	1.4
278.17484	1.0
295.09924	1.6
311.09244	1.7
312.09692	1.2
313.09845	2.4
381.19177	4.0
386.79016	0.9
393.19119	12.5
394.19479	1.4
411.20261	19.6
412.20593	2.9
429.20966	6.7
430.21652	1.5
453.21320	2.7
471.12994	8.5
471.22156	21.6
472.13281	1.4
472.22693	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	469.3322
Annotation	18alpha-GLYCYRRHETINIC ACID
Peak:m/z	Relative Intensity
59.01369	0.4
61.98825	0.3
70.65948	0.2
70.99537	0.4
73.35507	0.2
108.29150	0.2
125.02438	0.2
136.47272	0.2
169.01436	0.3
239.26100	0.2
325.25375	0.9
353.24881	0.4
439.32410	0.3
469.33197	100.0
470.33548	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	471.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.6
59.01379	18.0
61.98830	1.1
69.03457	0.7
69.31976	4.3
71.01384	8.3
72.99310	100.0
73.02959	1.5
73.99644	1.1
83.01383	3.8
85.02968	0.9
87.00877	8.7
89.02460	2.1
99.00876	4.0
101.02443	1.7
103.05543	1.3
105.01932	1.4
113.02441	1.2
113.82569	0.5
115.00375	0.5
117.01936	3.5
119.05032	0.8
127.00349	2.7
129.79913	0.4
135.03041	0.5
142.99870	2.2
147.04527	31.2
148.04898	2.1
161.04558	0.6
163.04001	0.7
165.05582	11.9
173.00917	3.1
185.00879	0.7
191.01993	2.5
195.04446	0.5
205.03534	1.0
223.04591	1.3
253.07214	6.3
265.07123	6.4
267.16141	0.5
321.06223	3.5
323.06226	7.1
327.98950	0.6
331.69162	0.8
401.43210	0.6
411.20047	1.0
431.34711	0.6
471.11301	4.6
471.22229	1.5
472.12137	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1141
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	0.5
59.01377	13.4
61.98830	0.7
64.17651	0.3
69.03466	1.1
69.25585	3.6
69.25945	0.6
71.01381	3.3
72.99305	100.0
73.02930	2.2
73.99651	1.0
74.92876	0.4
80.96511	0.6
83.01383	0.8
85.02962	0.7
86.64464	0.4
87.00886	1.0
89.02449	1.6
97.06590	0.4
99.00893	2.4
101.02443	2.3
103.05540	1.3
113.02463	1.3
117.01917	2.2
119.03515	0.8
135.03014	0.8
147.04514	28.9
148.04872	1.3
153.09175	0.7
161.04535	0.4
165.05545	0.5
171.23592	0.4
173.00919	2.6
179.05692	0.4
185.00824	0.8
191.01961	2.8
205.03613	1.3
205.12318	0.6
211.07587	0.8
223.04588	0.8
225.29739	0.4
265.07175	4.3
321.06000	2.6
323.06192	9.1
323.09906	0.6
324.06601	0.5
367.17645	0.6
411.20175	0.7
429.21304	0.8
445.30612	0.4
458.79462	0.4
471.11316	4.1
471.22168	0.6
472.11740	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1294
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	7.5
61.98847	0.4
65.80401	0.3
70.90004	0.6
71.01374	0.9
72.99306	5.4
74.52896	0.3
75.00880	2.0
85.02979	0.3
87.00874	0.4
89.02447	0.6
101.02419	0.4
103.00334	0.3
103.05546	0.5
105.01935	100.0
105.18935	0.2
106.02305	1.4
113.02434	0.3
114.20042	0.3
119.05051	0.3
147.04527	8.5
157.68617	0.3
193.03557	0.5
205.10039	0.3
207.11794	0.7
233.09682	1.1
249.14812	0.5
251.08531	0.3
251.10715	1.8
277.08710	0.7
291.16071	0.7
295.09729	8.6
296.10190	1.0
321.11362	0.3
324.02869	0.6
377.61951	0.3
383.11279	1.4
442.65240	0.3
456.28366	0.4
471.13135	2.4
471.31161	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.3322
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98843	1.5
66.65283	0.6
71.54789	0.8
125.02445	1.0
169.01485	0.8
243.80884	0.6
325.25375	1.5
335.84717	0.6
339.23331	0.6
353.24954	1.5
439.32324	6.1
440.32346	1.3
469.33240	100.0
470.33624	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	469.3322
Annotation	18alpha-GLYCYRRHETINIC ACID
Peak:m/z	Relative Intensity
55.93970	0.1
56.08600	0.2
68.95064	0.1
69.23672	1.2
69.24078	0.6
97.06575	0.3
123.08138	0.2
137.09698	0.4
204.48541	0.2
212.50832	0.2
214.62991	0.2
353.28400	0.9
369.27972	1.5
391.26318	0.6
392.26038	0.2
405.31708	0.2
407.29395	1.1
421.31149	0.3
423.32712	4.0
424.33060	0.8
439.28391	0.6
449.09152	0.2
451.32065	0.5
469.33185	100.0
470.33527	15.6
487.43085	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.3318
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11586	0.3
59.01364	0.8
59.97068	0.3
61.98829	1.1
63.69658	0.3
71.55447	0.5
78.21587	0.4
97.06577	0.5
119.77522	0.3
125.02450	0.4
169.01416	0.5
177.81761	0.3
219.17494	0.7
220.94545	0.3
257.22675	0.4
267.23602	0.3
326.31088	0.4
339.23126	1.6
353.24844	0.5
355.26343	0.5
423.32565	0.7
425.34436	0.9
428.02426	0.5
467.32034	0.5
469.33215	100.0
470.33536	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	469.3323
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21330	0.2
59.01371	0.2
67.39803	0.2
69.36149	1.7
82.80486	0.2
97.06579	0.5
98.20682	0.4
123.08136	0.2
125.02409	0.2
137.09706	0.6
152.99567	0.2
169.01399	0.3
197.59175	0.2
241.21707	0.2
295.63577	0.2
337.25430	0.3
339.26910	4.2
340.27396	0.4
391.30563	0.2
405.31534	0.3
407.29684	0.4
423.32733	1.7
425.34500	0.3
435.29431	0.2
451.32187	1.5
452.32428	0.3
469.33197	100.0
470.33533	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	469.3323
Annotation	18alpha-GLYCYRRHETINIC ACID
Peak:m/z	Relative Intensity
59.01362	0.7
61.98817	0.6
70.82404	0.4
78.95901	1.1
93.38171	0.4
125.02443	0.6
134.39372	0.4
152.99609	2.3
167.59763	0.4
169.01430	0.4
176.46735	0.4
241.21715	7.2
339.26947	0.8
367.26428	0.5
391.30521	0.5
405.32092	0.7
407.29599	1.7
423.32712	1.1
425.34171	0.5
451.32074	0.7
452.32651	0.5
467.31686	3.8
469.33212	100.0
470.27530	0.6
470.33548	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	469.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	3.3
57.03451	4.0
58.00594	1.7
59.01379	100.0
60.01715	1.0
61.98829	1.7
65.03960	0.8
68.99827	1.0
69.03455	4.3
71.01046	0.6
71.01381	37.7
71.05022	3.9
72.99313	4.1
73.02944	37.8
74.03269	0.6
75.00835	0.6
81.03451	1.5
83.01392	10.8
83.05032	4.2
85.02951	12.2
87.00874	5.6
87.04514	4.1
89.02456	6.0
93.03454	2.0
95.01385	1.9
95.05032	4.6
97.02963	3.0
97.06588	6.6
99.00887	3.8
99.04532	2.8
101.02441	25.9
102.02789	0.9
107.05054	1.0
109.06560	0.7
111.00879	5.4
111.08150	0.9
113.02437	9.2
115.00435	1.2
115.04000	4.7
119.03514	1.9
119.05025	6.0
121.02998	0.7
121.06636	0.7
123.04523	2.4
123.08179	2.1
125.02441	1.4
125.06052	1.2
125.09757	0.7
127.00368	1.0
129.02858	0.5
133.06635	1.1
135.08165	1.4
137.09717	6.8
139.00377	10.3
141.05620	1.5
143.03482	2.3
143.05099	0.7
145.06609	0.6
147.04518	3.8
147.08084	0.7
147.11740	0.6
149.06068	0.6
149.09727	2.3
151.07666	2.4
151.11285	1.1
157.01427	14.7
158.01785	0.7
159.02925	1.1
161.04558	5.0
163.04024	2.2
163.11269	1.3
165.09190	4.9
165.12823	3.3
167.07124	2.6
175.02525	1.7
175.11253	3.5
177.12857	2.7
185.13351	1.5
191.10919	0.7
193.12331	2.5
201.12933	0.7
203.05603	1.4
203.14401	16.9
204.14705	1.0
205.12288	2.0
209.11832	2.3
219.13922	0.8
221.09814	2.8
221.11761	0.8
221.15477	8.1
223.11316	1.3
223.13414	3.8
236.97534	0.6
247.13380	6.8
248.13658	1.2
249.09189	0.7
249.14992	1.2
265.14435	22.0
266.14838	1.3
267.10303	4.4
268.10367	0.7
311.09238	21.2
312.09515	2.0
314.50357	0.7
367.17639	1.7
385.18631	2.6
409.18610	6.0
427.19687	22.9
428.20132	2.7
469.20761	94.8
470.21121	14.8
491.80826	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1198
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00054	5.1
59.01371	23.5
61.98826	9.2
68.99551	45.3
69.03441	5.9
71.01382	46.7
71.54015	10.9
73.02943	9.7
75.00868	5.5
83.01395	9.5
85.02946	16.2
87.00878	59.4
89.02451	21.9
95.01411	7.3
99.00877	16.0
101.02453	40.1
111.00856	19.0
112.98568	61.1
113.02444	14.0
115.00320	9.2
125.02408	6.9
127.00372	61.3
129.01971	25.5
137.02426	7.4
141.01947	16.7
143.31657	5.2
154.99889	5.5
157.01414	24.9
169.01411	28.7
175.02580	6.9
181.01576	9.6
181.07153	100.0
199.02565	27.7
223.74942	4.9
229.03603	41.2
231.03194	5.1
287.04010	19.5
296.50455	6.1
300.59433	5.4
469.11716	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	468.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67516	0.3
56.53933	0.3
59.01383	2.8
61.98830	100.0
63.99255	0.3
65.63760	0.3
67.08170	0.3
69.03452	0.8
69.65211	1.8
71.01384	1.3
72.99310	0.5
73.02945	0.6
73.23961	0.3
75.00864	0.8
78.95908	0.7
82.03011	0.4
85.02951	0.6
89.02464	0.6
98.19891	0.5
99.00909	0.5
101.02471	0.9
113.02456	0.5
114.05605	0.7
117.87984	0.2
119.05035	0.6
120.22484	0.3
125.09745	0.6
138.05621	0.6
141.01993	0.4
142.47072	0.3
163.04031	0.6
165.01924	0.6
181.05084	0.4
185.00879	0.3
187.09766	1.6
188.10173	0.5
195.06660	1.1
225.07762	0.5
228.23224	0.3
288.10522	0.3
351.16599	0.6
363.47916	0.3
408.23288	0.3
468.17801	0.6
469.18195	0.9
469.23172	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96940	0.5
59.01374	2.0
61.04504	0.4
61.98830	100.0
70.87605	0.7
70.87937	0.8
71.01383	1.4
73.02940	0.7
77.15450	0.4
87.00879	0.5
89.02457	0.5
101.02456	0.8
105.59489	0.4
110.29410	0.5
113.02433	0.6
114.05623	1.4
126.34155	0.4
138.01959	3.2
138.57745	0.6
143.08566	0.5
229.10167	0.5
234.59586	0.5
468.18951	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.0987
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	2.2
59.01384	18.6
61.98829	7.5
69.03457	5.5
69.35511	7.8
71.01383	27.7
72.99311	38.2
73.02961	6.5
74.75378	0.9
83.01385	13.4
85.02942	3.2
87.00876	40.9
89.02421	2.9
93.92155	1.0
97.02922	1.3
99.00886	10.3
101.02417	5.3
103.05547	2.1
105.01934	25.0
111.00904	1.1
113.02442	2.7
113.63545	1.0
115.00357	3.8
117.01957	8.2
117.03497	1.5
119.05029	42.3
127.00353	9.2
142.99855	10.0
145.02983	5.6
147.04527	36.0
157.01433	1.7
161.00867	2.1
161.04547	1.5
163.04004	100.0
164.04338	3.4
173.00867	4.4
175.02524	1.3
185.00896	3.1
203.10770	1.3
237.67542	1.0
247.13397	3.8
251.05605	49.3
252.05923	2.8
265.07126	9.2
265.14374	2.6
291.03351	1.2
311.09189	3.1
323.06042	1.4
409.18787	1.5
427.19180	1.3
469.20956	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	468.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
58.72156	0.3
59.01382	3.1
60.01748	0.3
61.98832	100.0
62.98526	0.4
63.99257	1.1
65.61239	0.3
69.03450	0.6
69.48706	0.7
69.49126	1.5
70.97639	0.3
71.01394	1.4
72.99326	0.6
73.02946	0.7
75.00878	0.4
82.69772	0.3
85.02961	0.7
87.00883	0.6
89.02470	0.9
97.03008	0.3
98.20708	0.6
101.02464	0.8
101.31006	0.4
113.02495	0.6
114.05647	0.6
120.99689	0.9
135.03006	0.7
137.02448	0.7
165.01930	3.0
176.39223	0.3
179.03484	0.7
180.04298	1.3
181.05145	0.5
195.06642	3.2
210.05522	0.4
225.07755	1.4
250.79898	0.3
259.39246	0.3
304.25098	0.3
408.22775	0.7
421.15335	0.4
468.19177	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74006	0.4
54.90176	0.4
54.96391	0.5
59.01381	1.2
61.98830	100.0
69.47277	1.0
69.47688	2.7
71.01377	1.0
73.33538	0.4
77.28261	0.4
89.02448	0.5
98.19971	1.0
99.99911	0.4
104.24265	0.4
113.02473	0.6
123.32114	0.4
165.01849	0.6
168.14388	0.5
230.22382	0.5
241.28569	0.5
313.99014	0.5
372.92801	0.5
424.78427	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.6
59.01108	0.5
59.01382	5.8
61.98822	3.8
69.03456	1.2
69.40456	0.4
71.01372	3.1
72.99294	1.6
73.02942	1.1
75.00873	1.9
78.91891	4.2
85.02940	1.2
87.00880	0.8
87.04501	0.5
89.02428	1.4
95.05029	1.3
97.06577	2.1
99.00900	0.5
101.02451	1.4
102.98597	0.8
103.70444	0.4
107.04967	0.5
113.02388	1.0
117.01942	1.7
119.03562	0.5
119.05019	1.3
123.08167	10.6
124.08501	0.8
125.09724	41.9
126.10029	1.5
135.02951	2.2
139.07681	1.2
141.01996	0.5
143.10768	3.5
163.03990	2.0
165.01926	0.8
165.05559	1.0
169.08714	6.6
185.00957	1.1
187.09752	100.0
188.10106	4.9
201.11322	2.0
229.10793	1.6
230.39249	0.7
281.06573	0.6
287.11523	0.5
305.12411	31.6
306.12869	2.5
306.26022	0.5
347.13525	1.7
349.14880	3.1
350.15906	0.7
427.42624	0.4
467.17767	18.0
467.24911	2.0
468.18192	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.0746
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	11.5
61.98820	4.3
69.03442	2.9
69.39754	13.1
71.01375	8.5
71.62096	1.5
72.99303	3.5
73.02924	1.9
83.01373	2.9
85.02956	2.1
87.00867	6.2
87.23530	1.7
89.02466	2.7
99.00876	3.0
101.02415	4.3
111.00842	4.5
125.02468	1.9
139.44087	1.6
141.01930	1.5
147.04514	20.9
151.00351	1.6
161.06042	4.3
163.00409	2.3
178.56223	1.6
185.06001	2.1
187.04031	2.7
211.04102	2.6
227.03485	31.6
228.03728	2.4
229.05061	7.5
255.02975	50.4
256.03552	6.6
257.04486	5.3
267.09491	1.8
267.16013	18.6
268.16367	2.7
269.16208	1.8
284.03244	59.1
285.03998	70.4
286.04346	5.4
312.63324	1.8
431.09781	100.0
432.10025	14.2
435.09314	2.0
443.57080	1.8
466.27267	6.7
467.12146	2.8
467.19043	4.4
467.27216	2.6
468.18262	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	467.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31794	0.4
53.48265	0.4
55.01870	0.4
56.05182	0.4
57.03464	0.4
59.01379	4.9
61.98827	4.4
62.81932	0.4
66.06949	0.3
69.03464	1.1
69.30279	0.4
71.01385	2.8
71.55064	0.4
72.99325	2.2
73.02963	0.7
75.00871	1.5
78.91888	4.2
83.01436	0.5
83.05028	0.4
85.02975	1.2
87.00871	1.0
87.04504	1.4
89.02459	1.6
90.50134	0.4
94.55464	0.4
95.04998	0.9
97.02934	0.5
97.06610	2.3
99.00889	0.9
101.02446	1.6
102.98608	1.0
103.38618	0.4
113.02445	1.2
117.01936	1.4
119.03539	0.6
119.05022	1.4
121.06636	0.5
123.08168	10.3
125.09725	40.6
126.10059	1.5
135.02965	1.9
139.07635	0.6
143.10774	3.2
153.02002	0.5
161.04608	0.4
163.03990	1.9
165.05516	0.9
169.08684	6.9
183.02930	0.9
185.00922	0.9
187.09753	100.0
188.10089	5.3
201.11359	2.1
211.02408	0.8
229.10760	2.0
287.11356	0.7
305.12411	30.2
306.12793	2.5
347.13495	1.4
349.14929	2.6
356.42041	0.4
443.89145	0.4
446.76352	0.4
467.17743	16.9
467.24768	1.5
468.18259	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	465.2701
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14907	0.5
55.01880	1.7
57.03436	1.4
58.00594	0.8
59.01381	50.0
60.01702	0.5
61.98822	1.7
69.03461	1.2
69.23074	2.0
69.23489	3.7
71.01385	14.1
72.99282	1.1
73.02940	4.9
75.00894	1.0
75.91011	0.6
83.01421	3.2
85.02950	7.8
86.98911	0.6
87.00868	1.6
89.02431	2.8
95.01391	1.7
96.00965	0.5
99.00882	2.0
101.02433	13.4
111.00877	0.7
113.02434	5.4
119.03500	1.2
119.05007	1.8
122.01043	0.6
122.06135	1.6
132.04602	1.0
137.02422	2.1
147.04486	2.3
151.00327	0.8
152.07158	4.1
159.02995	0.6
161.04581	2.1
163.03946	1.6
243.19678	1.1
244.07405	1.2
257.12955	1.9
267.15955	4.5
269.12836	0.6
277.30911	0.7
285.20813	0.6
300.02618	1.0
301.03445	1.0
302.03271	0.9
303.08694	0.6
303.21844	3.1
405.24905	2.1
447.25821	3.1
465.27008	100.0
466.14386	0.7
466.19809	7.0
466.27359	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	466.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.8
57.03437	0.5
59.01378	13.5
60.01711	0.9
61.98827	5.5
68.99313	0.5
68.99809	0.5
69.03449	0.9
69.69385	3.5
71.01382	5.9
72.99318	2.2
73.02943	2.7
83.01411	2.1
85.02940	2.8
87.00869	5.7
89.02457	2.0
94.06635	2.5
95.01385	0.8
99.00886	1.9
101.02454	3.3
101.03001	0.6
106.06638	2.6
107.03751	3.7
109.58892	0.6
111.00874	5.8
113.02443	2.7
119.05011	0.9
120.04598	0.7
121.05403	0.5
122.06122	24.0
123.06457	0.7
124.07654	2.7
125.02451	0.7
125.51891	0.5
127.00341	0.7
129.01984	1.2
132.04552	12.2
132.05470	0.7
133.05351	6.1
134.06122	5.3
135.06876	1.0
136.07741	0.6
139.00359	0.7
139.02670	0.6
146.06139	2.0
147.03392	0.8
147.04523	20.2
150.05544	0.8
152.07172	48.4
153.07535	2.3
157.01456	1.5
159.37083	0.5
161.04668	0.9
161.05992	1.0
164.03613	1.1
165.04326	6.3
165.05560	1.0
166.05080	1.3
167.05753	0.7
168.06674	1.3
186.09253	0.8
189.05733	0.7
211.02554	0.7
213.06720	0.9
214.12393	2.5
215.11951	2.4
223.08665	0.6
226.07451	0.6
226.12379	2.0
229.09769	1.8
239.11957	2.4
241.09898	2.4
253.09874	1.3
254.10648	1.1
255.11269	0.9
257.12936	21.7
258.13269	1.7
267.11429	2.2
267.16052	1.8
268.12183	0.7
269.12955	8.8
270.13651	0.8
279.11502	0.6
280.12027	0.8
283.10861	1.5
297.12485	6.2
298.10153	0.7
298.12946	3.6
301.11920	1.6
302.12686	2.6
322.41730	0.6
330.12167	4.2
394.21515	1.6
406.17746	0.7
422.20929	8.0
423.21204	1.1
435.09470	1.8
438.20349	2.2
448.18954	1.8
448.25790	1.0
454.00443	0.6
465.27173	1.1
466.19937	100.0
466.27319	18.5
467.12939	0.7
467.20184	15.5
467.27478	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	466.2938
Annotation	1-heptadecanoyl-glycero-3-phosphoethanolamine
Peak:m/z	Relative Intensity
54.93834	0.4
59.01374	0.6
61.98820	0.7
70.25352	0.4
78.95905	17.4
122.00137	0.9
124.90242	0.4
140.01199	4.3
144.19710	0.4
152.99608	1.3
166.86809	0.4
183.74399	0.4
196.03780	8.0
214.04834	1.8
269.24841	100.0
270.25186	8.5
342.34717	0.4
441.84946	0.4
466.29333	23.5
467.29797	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	465.2708
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.6
57.03439	1.4
57.43213	0.5
59.01380	62.4
59.43765	0.4
60.01718	0.7
60.99323	0.4
61.98830	6.9
69.03458	0.7
69.58228	2.2
69.58643	0.7
71.01383	14.6
72.99315	1.4
73.02942	4.4
75.00880	0.9
83.01388	3.6
85.02947	8.9
86.00099	0.5
87.00895	1.6
88.98804	3.2
89.02454	3.4
95.01372	1.2
97.50821	0.5
98.20632	0.6
99.00887	2.4
101.02448	13.9
107.01327	0.8
109.02872	0.4
111.00887	1.2
113.02450	6.0
119.03516	1.0
119.05020	1.5
121.02991	0.6
125.02423	1.1
129.01884	0.6
137.02373	0.4
137.05998	0.4
147.04536	1.2
151.00360	2.7
153.00792	0.8
157.08727	0.6
159.02939	0.9
161.04524	2.8
163.03999	1.0
178.99913	0.9
182.50862	0.4
243.19679	1.2
252.31555	0.5
265.14224	0.6
267.15988	1.4
273.03107	0.5
285.03943	0.6
285.20761	0.6
301.03503	3.0
302.03705	2.6
303.04092	3.8
303.13232	0.5
303.21606	1.1
347.24039	0.7
405.25070	3.1
447.25919	4.6
465.10278	3.0
465.17798	4.5
465.27011	100.0
466.20761	0.5
466.27322	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	465.234
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44937	0.5
50.94915	0.5
51.65353	0.6
55.01885	0.7
57.03451	1.7
59.01380	100.0
60.01724	1.2
61.98815	2.7
69.65666	1.4
69.66082	2.2
71.01381	13.1
72.99313	0.6
73.02964	1.1
81.03442	0.6
83.01410	1.0
85.02940	2.7
87.00890	1.2
89.02447	18.0
95.01399	1.0
98.20533	1.0
101.02440	8.8
101.03098	0.6
109.02978	0.9
113.02445	6.0
119.03482	8.1
125.02433	5.4
131.03505	0.8
137.02498	1.3
143.03543	2.3
149.02454	2.4
149.04633	0.8
149.09761	1.2
153.09322	0.6
161.02501	0.8
161.04561	3.9
165.01961	1.0
166.02769	2.1
167.03496	1.4
167.10800	1.3
174.03169	0.6
175.04010	3.2
176.01268	0.9
179.05614	4.9
193.01611	0.7
198.03378	0.6
199.03995	4.4
201.02008	1.3
213.05592	0.9
217.05089	2.8
218.72360	0.6
241.05058	7.3
243.03098	1.2
243.16028	1.3
285.04056	16.6
286.04471	1.5
329.05426	0.7
329.08569	3.2
339.07315	1.4
405.21286	11.1
406.21841	1.4
465.10434	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	465.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.7
57.03447	6.9
59.01380	100.0
60.01723	1.8
61.98830	37.1
69.20419	2.4
69.20684	5.3
69.21104	9.7
71.01382	31.5
72.99334	2.2
73.02958	5.9
83.01414	5.5
85.02972	10.3
89.02451	30.9
95.01437	1.7
99.00890	2.7
99.04514	5.4
101.02444	23.4
101.06086	2.2
109.02995	2.8
113.02444	12.9
119.03490	12.0
123.08190	7.8
125.02451	5.6
143.03557	3.3
145.05081	5.1
149.02469	3.8
149.04625	1.8
149.09688	7.7
161.04565	14.1
163.11240	2.0
165.01871	2.1
166.02795	2.8
167.07141	6.2
167.10802	14.9
175.03987	2.2
179.05597	9.2
207.10229	4.8
225.14973	3.8
225.86682	1.6
235.44336	1.5
241.05093	5.3
241.14433	2.9
243.16060	8.4
285.04022	8.6
285.13501	23.3
303.05087	3.3
303.08704	2.2
329.08752	3.3
405.21313	33.2
406.21585	1.9
439.89206	1.6
461.14771	2.0
465.19626	23.1
466.19937	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	465.234
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
60.01720	0.6
61.98835	0.8
70.99689	0.7
71.01383	5.1
73.02950	1.8
83.01385	0.8
85.02953	2.3
89.02452	1.7
99.00893	0.6
101.02448	3.3
113.02457	3.0
119.03503	0.7
125.02496	0.7
143.03578	0.7
144.69415	0.5
159.03027	0.9
161.04558	6.0
167.10805	0.6
173.62311	0.6
199.03993	0.9
213.05588	0.6
241.05080	1.0
243.16179	1.1
256.37088	0.6
285.04175	2.7
405.21259	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	465.1038
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18226	0.2
55.01872	0.7
55.48161	0.2
59.01382	3.9
61.98822	0.8
67.01884	0.3
68.99809	0.9
70.28413	0.2
71.01383	5.2
72.99309	2.8
73.02946	0.7
74.20213	0.2
75.00862	0.4
78.95904	8.0
83.01377	1.2
85.02951	0.8
86.00053	0.3
87.00875	27.0
88.01227	0.2
89.02446	0.5
93.03458	0.2
96.96914	0.3
96.99316	0.9
99.00880	5.8
101.02434	0.7
103.05526	1.7
103.95290	0.2
111.00871	0.9
113.02442	0.7
115.00373	0.8
117.01943	2.2
119.05025	2.3
125.02425	0.6
127.00370	0.9
127.87603	0.2
129.01941	2.0
139.00385	0.4
141.01949	0.3
142.99846	0.6
147.04518	100.0
148.04865	4.7
149.02444	0.3
151.00487	0.4
154.23413	0.2
154.99844	0.5
157.01501	0.5
161.06036	1.1
165.01936	0.3
167.03484	0.3
171.13873	0.4
189.05609	0.3
271.02499	0.4
272.02853	0.5
273.03027	0.6
285.03952	0.6
285.12482	0.5
300.02759	0.5
301.03275	0.4
302.03424	1.2
303.04300	0.3
356.17245	0.2
397.51743	0.2
404.24445	0.2
464.26035	0.5
465.09271	1.0
465.15012	2.6
465.26395	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.104
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.0
59.01380	7.1
59.74771	0.2
61.98829	1.7
67.01856	0.3
68.99818	1.0
69.03447	0.3
71.01378	6.7
72.99308	2.8
73.02951	0.9
75.00873	0.3
83.01409	1.3
85.02933	1.3
86.00119	0.4
87.00877	26.5
88.01169	0.3
89.02480	0.6
93.03474	0.3
96.99317	0.9
97.02987	0.3
99.00880	5.6
101.02425	1.6
103.05557	1.3
105.94860	0.2
111.00890	1.3
113.02451	1.0
115.00385	0.8
117.01961	1.8
119.05024	2.1
121.02965	0.5
125.02463	0.3
125.29790	0.2
127.00387	0.5
129.01949	1.9
137.02467	0.2
141.01921	0.5
142.99847	0.5
147.04524	100.0
148.04857	4.4
154.99832	0.2
157.01385	0.6
161.04649	0.4
161.06081	0.9
173.00861	0.4
175.04076	0.2
197.26718	0.2
211.02704	0.3
256.03281	0.3
271.02423	0.6
273.03027	0.3
285.04254	0.4
300.02881	0.7
301.03339	0.9
302.03262	1.5
303.04175	0.6
405.25009	0.5
429.24606	0.4
437.63583	0.2
447.26157	0.6
464.25897	1.0
465.09283	1.5
465.26938	6.1
466.27115	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1534
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	4.1
59.01382	100.0
61.98830	30.3
64.99810	2.7
66.63174	2.9
69.03465	8.5
69.34231	24.0
71.01380	44.8
72.99297	6.5
73.02961	6.9
74.45827	2.8
76.15736	2.9
83.01367	5.0
85.02951	10.9
87.00880	7.8
89.02443	43.0
99.00875	4.8
99.04510	6.5
101.02439	29.6
113.02450	20.1
119.03481	18.5
119.05025	4.8
123.04527	3.6
127.00301	2.9
135.03006	2.5
136.05333	3.9
149.02499	5.1
149.06085	5.1
151.00340	4.6
152.01167	6.6
152.07153	4.8
156.63219	2.9
161.04500	4.1
161.13326	9.6
163.46843	2.7
164.04784	13.1
167.03505	11.7
173.49590	2.9
178.99704	3.8
179.05592	9.2
179.07158	9.5
185.00861	2.7
205.12325	25.9
209.11893	4.9
249.11328	30.1
250.11986	3.4
257.03375	4.0
265.14444	4.2
267.15958	12.9
271.02637	3.1
273.02936	5.4
285.04056	3.6
300.02744	7.1
301.03326	11.6
301.16583	3.2
302.03464	13.7
303.04117	8.3
303.16101	3.1
303.21564	4.0
347.11356	5.5
347.24139	2.8
405.21039	4.2
429.17569	19.0
465.09192	8.1
465.27350	39.9
466.19962	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	465.1041
Annotation	Taxifolin 3'-glucoside
Peak:m/z	Relative Intensity
52.96769	1.0
55.01888	1.0
57.03445	14.9
57.09846	1.1
58.00602	1.0
58.95883	1.1
59.01382	36.4
61.98532	1.6
61.98835	17.4
63.75090	1.2
65.00327	3.6
68.99822	1.3
69.03450	3.8
69.60289	5.9
69.60693	1.5
71.01381	19.3
72.99297	4.3
73.02957	6.2
74.99094	1.5
75.00874	9.1
81.03445	1.9
83.01395	7.9
85.02955	7.0
87.00895	4.8
89.02439	14.0
93.03487	2.3
95.01391	4.8
97.02927	2.4
98.19818	1.1
99.00898	6.1
101.02438	11.8
107.01375	3.0
108.02184	2.4
109.02940	5.3
111.00887	4.1
111.08240	1.0
113.02444	6.9
115.00468	1.2
119.03515	4.8
119.05008	16.0
121.02965	3.2
122.03748	1.2
123.00900	3.8
123.04482	3.0
124.00868	1.2
124.01643	7.0
125.02453	100.0
126.02807	2.3
127.00368	5.4
129.01965	1.4
133.02977	2.7
135.03003	2.4
137.02428	6.8
138.05647	1.3
139.00404	2.9
141.01965	2.2
143.03471	1.8
147.04497	1.6
149.02420	5.5
149.04500	1.6
149.06055	1.1
150.03242	7.3
151.00380	17.4
151.03987	7.0
152.01167	16.7
153.01930	6.6
157.08702	2.0
161.04549	4.7
161.05862	1.3
163.04012	14.1
165.01920	3.6
165.05589	4.0
167.03520	3.6
169.01469	2.1
174.03200	1.6
175.02585	2.0
175.03999	6.1
176.01221	2.0
177.01915	3.2
178.99895	8.3
179.05615	2.6
179.86368	1.1
183.02983	3.0
185.00955	2.7
187.09731	1.9
188.04724	2.2
189.05595	5.5
191.03484	2.0
193.05078	3.5
195.06581	3.8
199.04056	2.6
211.02417	1.9
213.05551	1.9
215.07141	2.3
216.04218	2.7
217.05013	8.8
226.07565	1.5
229.14388	1.6
231.06555	1.8
241.05095	2.7
241.09891	2.2
243.15942	2.7
257.04184	1.5
258.05359	1.6
259.06094	14.4
265.14307	1.5
267.16006	5.0
273.03143	2.8
274.04745	2.4
275.05585	8.8
285.04041	31.1
285.08838	2.0
285.17148	1.4
286.04355	2.3
287.03986	1.4
300.02789	2.3
301.03204	1.8
302.03476	5.1
303.05042	12.6
303.18109	2.7
313.14441	4.4
315.08710	2.1
333.15588	1.3
333.19235	2.7
335.05933	2.0
347.12164	1.4
347.17151	5.3
363.10693	1.3
375.07312	2.3
391.28574	1.1
405.21445	3.6
421.11493	1.5
437.10904	18.9
438.11160	2.9
447.09430	9.1
465.10291	82.6
465.16742	4.9
465.23465	12.1
466.10620	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	463.3793
Annotation	Certonardosterol D3
Peak:m/z	Relative Intensity
55.91275	0.6
59.01381	0.8
62.47720	0.6
62.85837	0.6
69.62794	2.4
69.63210	2.0
86.47497	0.7
93.89691	0.8
96.96005	1.3
101.57102	0.7
102.55351	0.6
120.05795	2.5
125.06047	3.9
135.08162	15.8
137.06091	1.9
151.00352	1.5
170.05812	1.8
255.03050	0.9
271.02512	2.8
300.02823	5.3
301.03372	2.6
354.12357	0.8
403.08456	0.7
403.35776	1.8
421.36871	26.3
422.37253	4.5
463.08594	3.5
463.37924	100.0
464.38293	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	464.1406
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03471	0.4
58.00616	0.6
59.01381	20.6
60.01716	1.0
61.98831	100.0
69.03459	0.6
69.64945	1.0
69.65361	1.7
71.01383	7.1
72.01736	0.5
73.02959	2.0
75.00879	1.0
78.68993	0.4
85.02968	1.7
87.00880	0.7
89.02443	6.1
90.02805	0.6
98.03687	0.5
99.04530	0.5
100.34320	0.4
101.02453	3.5
113.02442	2.9
119.03519	2.0
125.02437	0.5
129.29156	0.4
135.03038	0.6
138.05644	1.4
141.09236	0.5
143.03485	0.5
153.09167	0.5
161.04590	1.8
167.10785	0.6
179.05620	1.3
225.14981	1.1
238.85336	0.5
243.16026	5.2
285.04138	0.8
336.52332	0.5
347.13113	0.5
374.14514	1.4
376.11505	0.6
404.20105	1.1
405.21344	7.9
459.44495	0.5
464.09088	0.6
464.17941	0.6
464.22888	0.7
465.18890	0.7
465.24130	0.7
486.30188	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	0.4
59.01379	9.9
61.98829	100.0
69.27888	2.7
71.01375	2.6
72.01710	0.3
73.02947	0.6
76.37987	0.3
77.16349	0.3
83.01392	0.4
85.02966	0.5
87.00918	0.3
89.02445	2.7
101.02432	2.1
113.02460	1.1
119.03535	1.1
125.02441	2.4
137.02457	0.5
149.02441	0.9
149.04434	0.5
151.00360	0.5
153.02011	0.4
161.02480	0.5
161.04576	0.9
166.02786	1.1
167.03511	0.4
167.10783	0.4
175.03993	1.2
179.05608	1.1
182.68686	0.3
192.85210	0.4
198.03357	0.5
199.04108	1.2
217.05125	1.3
241.05104	3.0
243.02931	0.5
243.16060	1.5
247.08040	0.4
285.04041	5.8
303.05167	0.7
329.08841	0.9
339.07245	0.3
405.21222	4.3
405.25446	0.4
464.22562	0.5
465.10324	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1038
Annotation	(2R,3R)-Taxifolin 3-glucoside
Peak:m/z	Relative Intensity
50.10618	0.9
52.86594	1.1
55.53770	1.1
57.03456	6.5
58.00599	2.1
59.01379	91.3
61.98831	23.0
69.76530	3.9
71.01381	33.4
72.75557	1.0
72.99304	1.8
73.02955	2.5
77.73117	1.0
81.03449	1.9
83.01375	1.7
85.02957	4.3
87.00881	3.3
89.02444	44.4
93.45561	1.0
95.01381	2.4
97.12016	1.2
99.04503	1.8
101.02438	20.6
105.03443	1.4
109.02952	4.3
113.02451	14.3
119.03513	22.0
121.02935	1.4
125.02455	29.1
125.40945	1.0
131.03534	3.0
137.02437	10.0
138.03204	4.5
143.03493	4.5
143.04973	2.0
149.02444	17.8
155.04973	2.1
157.06616	1.5
161.02458	6.5
161.04559	6.4
163.00369	2.1
164.01160	3.9
165.01886	3.9
166.02690	16.1
167.03467	7.2
171.04459	2.5
174.03188	4.4
175.03987	22.0
176.01170	6.0
176.04396	1.2
177.01897	1.7
179.05582	9.9
182.03630	1.0
185.06053	2.3
187.03938	1.0
191.03423	1.3
192.00610	3.0
193.01413	2.5
197.06091	3.3
198.03249	4.5
199.03993	25.0
200.04428	1.8
201.01952	5.3
213.05580	4.3
215.03587	3.0
217.05052	20.1
226.02742	1.4
241.05051	46.8
242.02234	2.8
242.05370	3.4
243.03006	7.3
243.15990	7.0
248.95099	1.1
257.04678	1.3
285.04044	100.0
286.04324	9.3
302.96304	1.2
303.05182	2.1
329.08765	14.3
339.07236	8.3
355.06805	2.1
405.16534	1.7
405.21310	17.2
406.21503	1.3
465.10294	15.6
466.10791	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65961	0.3
53.58056	0.3
55.01893	0.9
57.03458	0.6
59.01382	11.6
59.01681	0.6
61.98841	0.5
69.03492	0.5
69.47936	0.9
69.48347	1.7
71.01387	7.8
72.99334	0.9
73.02949	2.4
83.01418	1.3
83.05037	0.5
85.02965	2.8
87.00890	1.0
89.02449	6.3
95.01405	0.4
97.02939	0.5
97.06593	0.3
98.20613	0.7
99.00882	0.4
101.02453	7.3
107.01406	0.5
111.08173	0.8
113.02444	2.8
119.03510	0.9
121.02981	0.9
125.02449	0.5
133.05139	0.5
143.03542	0.4
151.00368	2.0
153.55051	0.4
154.32628	0.4
156.10040	0.3
161.04561	2.7
165.12854	8.8
179.05540	0.5
182.80493	0.4
183.13899	100.0
184.14243	6.7
209.11879	1.9
226.02490	0.4
227.03412	0.6
227.12877	8.7
228.13171	0.4
235.08173	1.0
243.02991	1.2
248.39153	0.4
253.09311	7.1
255.02954	2.8
259.19144	0.5
263.10474	0.4
270.99667	0.6
271.02466	7.9
272.02893	0.6
273.03879	0.4
300.02774	11.3
301.03482	6.6
302.03937	0.4
463.08899	8.1
463.21667	57.4
464.08868	1.1
464.15567	0.4
464.22000	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	463.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.5
57.19850	0.4
59.01381	6.5
63.85061	0.3
65.00332	0.5
69.03487	0.4
69.51509	1.5
69.51923	1.0
71.01378	4.8
72.99332	0.8
73.02966	1.7
83.01403	1.2
83.05087	0.4
85.02960	1.7
86.32645	0.5
87.00890	1.1
89.02438	2.9
95.01373	0.5
97.02978	0.4
99.00898	0.5
101.02446	4.5
107.01379	0.7
108.02204	0.7
109.02950	0.7
111.08131	0.8
113.02429	2.0
119.03502	0.7
121.02946	0.9
128.53278	0.3
143.03513	0.4
151.00342	2.4
161.04579	0.6
163.00365	0.3
165.12837	8.2
166.13165	0.6
174.90030	0.4
178.99889	1.1
179.05693	0.4
183.13893	100.0
184.14240	5.9
209.11754	2.1
226.02826	0.4
227.03406	0.7
227.12863	10.9
228.13165	0.5
235.08232	1.1
243.02951	2.2
244.03378	0.4
245.04239	0.5
253.09276	5.4
255.02977	5.1
271.02469	13.2
272.02875	0.7
273.04074	0.4
297.11697	0.4
300.02734	19.8
301.03461	11.6
302.03815	0.9
332.12863	0.4
421.24402	0.4
445.20261	0.5
463.08725	13.5
463.21716	53.6
464.08902	1.6
464.22244	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	463.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03779	1.6
55.82711	1.6
56.99483	1.9
57.03447	1.8
58.00580	2.5
59.01378	100.0
61.98831	24.4
68.77665	1.7
69.03439	3.2
71.01008	2.7
71.01383	50.6
72.99299	4.0
73.02956	2.8
75.54449	1.8
83.01376	2.8
85.02955	9.4
87.00886	2.2
89.02444	69.8
95.01379	5.2
95.44433	1.6
97.02947	2.8
97.06610	3.3
101.02448	31.9
113.02458	23.1
119.03501	30.0
123.08173	2.0
131.03496	2.8
139.07664	3.6
143.03476	6.4
153.09163	7.7
161.04573	9.8
167.07124	3.0
168.66060	1.6
179.05595	15.6
179.07063	2.4
205.12358	2.7
223.13406	3.0
241.14429	14.4
283.11862	5.1
301.16434	1.7
305.31134	1.8
315.13205	1.8
339.98642	1.7
367.74786	1.7
403.19742	21.7
404.19766	1.9
463.17108	2.9
463.22391	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	463.255
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17931	0.8
55.01888	1.5
55.06646	0.8
57.03447	2.0
58.00591	1.6
59.01381	74.5
60.01699	1.1
61.98830	11.4
65.00322	3.1
69.03467	1.4
71.01384	27.2
71.05016	1.0
71.55837	1.0
72.99312	4.2
73.02952	5.7
83.01385	3.2
84.75450	0.8
85.02954	7.5
87.00852	2.5
87.97868	0.8
89.02449	24.6
93.03447	1.4
95.01393	2.0
97.06601	1.0
99.00890	4.3
101.02447	17.8
102.98593	1.4
107.01393	3.5
108.02187	1.9
108.64607	0.8
109.02961	2.5
111.00863	1.4
111.08218	0.8
113.02454	8.2
115.00369	1.1
119.03504	7.0
121.02993	4.2
121.03777	0.8
125.02449	1.9
125.09699	2.1
131.03506	2.3
135.02954	1.3
135.04584	1.1
136.99062	1.2
137.02428	0.8
138.05472	0.8
143.03448	1.3
149.04561	5.1
151.00372	17.3
151.03998	1.2
152.00713	1.1
161.04529	4.0
163.00427	2.1
171.10345	1.1
176.56786	0.8
178.99857	9.1
179.05569	1.3
187.09784	2.9
191.05617	1.3
209.04492	1.1
209.11790	1.0
214.07213	0.9
226.02780	1.5
227.03598	2.5
227.12807	1.1
236.43803	1.0
239.16541	1.5
243.02940	7.7
245.04616	2.0
254.02144	2.2
255.02959	21.2
256.03452	2.5
257.08270	1.6
265.14432	4.0
265.17990	1.0
271.02475	46.3
272.02866	4.6
273.04068	1.7
283.02341	1.4
283.11652	1.4
283.19058	3.9
285.17337	1.2
299.01828	1.7
300.02747	70.5
301.03494	56.5
301.11386	1.0
301.16599	7.0
301.19952	1.6
302.03922	4.2
303.18237	2.1
331.17355	1.3
377.25082	1.0
445.07797	3.7
445.24670	7.8
446.24908	1.2
463.08746	50.7
463.25543	100.0
464.09146	7.7
464.25854	13.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	3.1
57.03436	4.4
58.00589	3.0
59.01382	100.0
60.01709	1.5
61.98827	29.9
65.00316	1.8
65.11726	1.3
71.01384	72.7
72.01749	1.2
72.99303	5.0
73.02942	18.1
75.00875	11.6
81.03389	1.2
83.01395	7.9
85.02948	25.0
86.93615	1.3
87.00858	6.5
89.02442	41.1
94.22147	1.5
95.01370	6.5
97.02937	2.1
99.00890	7.9
99.04533	1.6
101.02441	43.0
102.02718	1.4
107.01392	2.4
107.04998	2.7
109.02982	2.1
111.00835	2.2
113.02451	28.0
113.06021	1.7
115.03987	1.6
117.01945	2.6
119.03492	14.3
120.99605	1.8
121.02954	3.3
121.10226	12.3
124.07689	2.0
125.02448	2.4
131.03506	2.3
132.04565	10.6
133.05319	2.7
134.03745	2.4
135.02992	5.9
135.04553	8.7
139.00314	2.3
143.03471	2.0
148.01732	2.2
149.04564	2.2
151.00368	13.2
159.03018	2.5
161.04573	16.2
163.00363	1.8
165.04280	6.0
165.05518	2.7
165.09181	5.0
165.99095	2.7
167.10777	3.3
178.99817	4.5
179.05611	3.9
181.05070	2.7
183.10243	2.1
190.41394	1.5
193.04971	1.8
214.12309	1.7
215.11768	1.4
223.09659	1.4
223.13437	1.8
227.03441	2.8
227.60257	1.5
241.14465	3.1
243.02959	6.4
254.02327	1.4
255.02943	17.9
257.12970	7.4
271.02493	35.7
272.02924	3.9
283.10898	5.0
283.15491	1.5
299.01910	2.3
300.02740	57.0
301.03464	38.3
301.12088	7.9
301.16547	2.8
316.02301	7.2
317.03043	9.0
327.09796	3.4
331.17432	1.4
345.06778	2.4
345.10870	28.3
345.15479	75.9
346.11554	2.8
346.15881	7.8
351.17416	1.6
355.12921	1.3
375.16516	1.5
377.11728	1.5
403.19656	6.0
463.08676	37.7
463.18124	86.5
464.08829	4.6
464.18427	11.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1464
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	2.8
57.03451	4.1
58.00589	5.0
59.01382	100.0
61.98835	20.8
69.03436	2.1
71.01382	45.6
71.55196	2.5
72.99312	6.5
73.02951	16.1
75.00875	11.0
83.01376	4.7
85.02941	16.9
86.05418	2.2
87.00875	8.5
89.02448	28.3
93.03465	2.6
95.01383	4.8
99.00883	7.2
101.02444	30.3
113.02444	21.1
113.06118	2.1
117.01926	3.1
119.03465	13.1
121.06605	6.2
125.02434	3.1
132.04544	4.5
133.05264	3.6
135.03017	18.6
139.07651	96.0
140.07988	4.2
143.03525	4.8
146.06094	5.5
148.07727	3.3
153.09142	3.5
161.04562	9.8
163.07605	3.1
165.05580	7.4
167.05933	3.2
175.06487	2.3
175.61046	2.4
179.05611	8.7
183.06615	43.9
184.06885	3.2
191.72491	2.1
198.06799	3.2
202.38266	2.0
204.06674	4.3
207.05287	3.4
223.13513	2.8
225.07661	2.9
241.07356	25.8
241.09685	4.2
241.14349	12.3
242.07947	5.4
243.08769	4.0
257.10577	3.4
271.02393	6.6
271.14536	6.0
283.08035	3.1
285.09875	7.5
300.02615	6.7
301.03568	6.7
301.09232	69.6
301.16507	3.0
302.09598	5.3
315.13870	2.8
329.14886	5.7
343.09775	3.1
343.13504	2.9
345.10980	10.8
345.15030	3.9
373.14044	41.1
374.14178	3.5
376.13889	3.0
385.14136	3.3
403.15082	3.3
403.19690	32.9
404.19867	4.6
419.15695	40.1
420.16086	3.6
457.61307	2.3
463.08643	8.8
463.16031	24.4
463.21902	46.7
464.16306	3.1
464.22293	5.9
484.75342	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.176
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.0
61.98830	0.5
65.00315	0.4
69.03485	0.3
69.69583	1.7
71.01368	0.3
89.02414	0.3
92.30715	0.3
93.03450	0.6
97.79114	0.3
98.19918	0.6
108.02209	0.4
109.02937	0.5
113.26470	0.3
117.66629	0.3
121.02953	100.0
122.03275	3.8
123.04496	0.3
136.01648	0.5
144.49644	0.3
151.00357	1.8
151.04016	0.4
153.01881	0.4
159.04410	0.4
163.00360	0.6
178.99940	1.0
189.05640	0.5
198.14021	0.3
212.09804	0.3
227.03622	0.5
235.11855	0.3
235.22614	0.4
243.02962	1.6
254.02303	0.3
255.02997	3.2
271.02457	8.4
272.02972	0.9
300.02728	13.9
301.03470	9.0
302.03940	0.7
326.11569	1.2
341.13947	3.2
342.14365	0.4
463.08728	9.4
463.17435	0.6
464.09088	1.2
464.30798	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1465
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	4.8
58.00579	7.6
58.40570	1.8
59.01378	100.0
61.98829	20.4
69.40197	16.5
71.01379	36.8
72.99313	3.6
73.02939	15.1
75.00881	11.1
82.52269	1.9
83.01395	5.0
83.74917	2.1
85.02940	15.1
87.00873	6.7
89.02451	30.0
93.03461	2.3
95.01421	4.7
95.26152	1.9
97.02953	2.6
99.00880	6.2
101.02454	26.7
106.06652	2.0
110.22261	2.1
113.02437	14.4
117.01984	3.0
119.03508	12.1
121.06570	5.0
125.02498	3.1
135.03017	20.6
139.07654	96.6
140.07994	3.8
143.03497	2.6
146.06145	2.9
153.09222	2.9
161.04570	9.9
165.04330	3.4
165.05597	7.2
165.09169	2.5
179.05629	9.3
183.06624	42.4
198.06676	2.8
204.06602	5.6
205.12309	2.6
214.67180	2.1
215.11978	2.4
223.13344	2.9
225.07570	3.0
241.07332	27.3
241.14473	6.3
242.08040	8.6
271.02539	5.0
271.14532	3.4
283.08105	4.0
283.10971	3.8
285.09851	4.8
300.02701	6.5
301.03595	5.2
301.09271	66.2
302.09726	5.1
329.15118	6.0
345.11020	12.0
345.15228	4.1
373.13998	34.0
374.14487	5.1
385.13937	3.9
403.19717	29.0
408.40930	2.1
419.15720	36.5
463.08484	8.6
463.16003	19.1
463.21921	35.4
464.15591	2.9
464.22183	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	463.1362
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37215	1.0
57.03446	1.4
59.01376	36.8
61.98831	14.8
63.86574	1.1
65.00300	1.1
65.08660	0.9
67.12316	1.2
69.03437	1.1
71.01379	14.5
71.55537	1.3
72.99315	1.3
73.02946	9.9
74.99082	1.4
75.00871	5.4
83.01385	2.4
85.02965	5.0
87.00822	1.6
87.04473	1.2
89.02438	11.9
92.79039	1.0
95.03722	1.3
97.06557	1.5
99.00858	1.8
99.04540	1.5
101.02452	9.4
106.06605	3.0
107.01374	2.1
108.02194	2.4
109.02895	1.5
112.04070	1.2
113.02438	5.0
119.03479	4.7
121.02927	3.0
121.10201	1.3
122.06113	1.4
124.07668	8.1
131.03438	1.3
132.04559	35.8
133.05351	16.6
134.03714	1.4
134.06067	3.4
135.02983	6.4
148.04025	2.3
149.02467	1.5
149.04533	2.2
150.05548	2.2
151.00371	10.5
161.04521	3.5
163.00317	4.0
165.04295	19.7
166.04611	1.4
177.04250	3.5
178.05109	1.6
178.99820	6.3
179.05537	2.8
181.07101	2.1
186.09195	2.1
192.00645	1.3
199.09891	1.2
203.03477	1.9
209.03255	4.8
213.06683	1.5
214.12280	4.0
215.03337	1.1
215.11877	5.1
225.92664	1.0
226.02608	1.9
227.03415	3.5
227.08202	1.9
229.09808	3.0
240.10243	2.2
241.09792	3.8
241.14317	2.0
243.02911	8.3
244.03409	1.4
254.02103	2.5
255.02968	23.0
255.11389	1.8
256.03339	2.3
257.12964	31.5
258.13181	2.9
265.14438	2.0
271.02469	57.8
272.02960	6.3
273.04053	1.4
283.10892	9.6
285.13431	1.8
299.02072	2.1
300.02744	92.0
301.03479	51.1
301.11951	35.3
301.15875	2.6
302.03683	5.5
302.12097	4.2
325.61520	1.0
327.09769	3.1
345.10919	100.0
345.15173	7.2
346.11267	8.5
361.09949	1.1
403.19443	2.7
419.14383	2.5
419.19055	1.2
463.08572	63.6
463.13510	4.7
463.22366	9.9
464.08804	8.2
464.22391	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1093
Annotation	Mudanoside B
Peak:m/z	Relative Intensity
51.21080	0.6
53.33458	0.7
53.90715	0.6
59.01382	2.4
60.09079	0.6
69.03465	1.2
69.33930	2.0
69.34351	3.1
71.01371	1.3
113.02397	0.8
123.00871	7.7
124.01664	28.3
124.32148	0.7
125.02451	26.2
126.02753	1.1
130.68758	0.7
137.02477	0.7
149.99579	36.6
151.00159	1.5
166.05055	1.8
167.03479	2.3
168.00636	97.8
169.01144	4.2
179.03368	0.9
201.52000	0.6
287.07813	1.3
331.06702	3.2
374.13770	0.6
445.09125	0.8
463.10913	100.0
463.93433	0.7
464.11179	9.8
470.95932	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1114
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76845	0.6
57.10966	0.7
59.01361	1.4
61.98784	2.6
62.96388	1.0
65.10693	0.6
71.54150	0.9
71.54464	0.6
78.95892	7.3
82.93445	0.7
88.98757	0.8
121.02936	1.1
146.96608	1.6
148.01668	0.6
149.00098	33.4
150.00433	0.7
151.00372	2.9
178.99869	1.5
194.98853	100.0
195.99188	2.4
227.03543	0.7
243.02982	3.0
255.03006	6.8
265.22018	1.0
271.02466	16.3
272.03116	1.5
273.03934	0.7
283.96463	0.8
295.22791	1.4
300.02740	24.8
301.03473	12.2
302.04068	0.9
341.18588	0.7
456.49130	0.8
463.11188	57.7
464.11575	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	463.136
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.1
58.15923	0.7
59.01382	27.9
61.98824	1.9
62.35854	0.8
68.99828	0.9
69.41996	6.2
71.01384	19.0
72.58323	0.8
72.99291	2.0
73.02945	6.1
73.58009	0.7
75.00881	4.6
80.22787	0.7
82.74444	0.9
83.01381	2.6
83.04986	0.7
84.04536	1.0
85.02964	5.3
85.09902	0.9
87.00878	1.7
89.02445	15.1
95.01432	1.1
95.03757	2.0
96.04561	1.0
96.08196	1.2
97.02953	0.8
98.20644	1.6
99.00867	2.5
101.02441	11.2
102.99200	0.8
104.05045	2.3
106.06641	4.5
107.01394	0.9
111.00832	0.9
113.02463	5.6
119.03506	1.8
121.10222	2.1
122.06113	2.2
123.03203	0.8
124.07687	11.2
125.02432	1.6
131.03543	3.8
132.04553	47.2
133.05359	28.2
134.03761	1.5
134.06161	7.4
135.03006	11.8
136.99069	0.9
143.03513	1.3
148.04031	2.3
149.04578	6.7
150.05569	1.5
151.00392	3.7
161.04582	5.8
161.54707	0.8
163.00404	1.2
165.04306	28.0
165.05676	2.0
166.04639	1.2
176.03551	1.0
176.07158	1.8
177.04257	3.4
178.05171	1.7
178.99866	1.4
179.05580	1.2
186.09180	3.5
187.08690	1.1
191.05643	1.4
193.04984	1.0
198.09248	1.4
209.03250	5.3
213.06667	3.1
214.12375	6.5
215.11816	9.6
216.12163	1.5
216.79344	0.8
226.07442	1.5
227.03502	0.9
227.07953	1.0
228.05486	1.3
229.09789	3.9
240.10297	2.6
241.09798	5.6
243.02919	3.1
255.03017	6.2
255.11418	2.2
257.12943	43.3
258.13281	3.7
271.02493	16.0
272.02905	1.4
272.07791	0.9
283.10873	13.6
284.11111	1.1
300.02740	24.2
301.03458	11.9
301.11899	53.5
302.03735	1.4
302.12305	5.6
316.02286	1.0
327.09824	4.0
331.17572	4.0
334.39093	0.8
345.10904	100.0
345.15033	3.5
346.11182	9.7
387.12189	0.8
403.19803	1.6
419.14691	4.4
421.20596	0.9
463.08539	14.8
463.13666	15.0
463.21649	15.8
464.08557	1.5
464.14044	2.3
464.22040	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	463.1359
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	26.0
60.00862	0.8
61.98834	6.5
69.03413	1.1
69.65169	4.5
71.01071	0.8
71.01375	9.9
72.44234	0.8
72.99290	2.1
73.02959	6.1
74.05779	1.0
75.00880	3.9
83.01375	2.0
85.02924	2.8
87.00832	1.1
89.02448	13.1
95.01382	1.2
95.03738	1.8
98.19875	1.0
99.00862	2.8
101.02439	8.0
104.05096	0.9
106.06607	3.0
107.01404	1.6
108.02127	1.0
109.02921	1.6
113.02426	4.2
119.03465	3.1
122.06049	3.0
123.03297	0.9
124.07680	8.1
131.03450	1.6
132.04550	37.5
133.05365	20.9
134.06178	5.1
135.00714	1.0
135.02997	5.4
148.04025	1.8
149.04498	3.2
150.05507	1.2
151.00389	7.0
161.04527	1.4
163.00323	1.8
164.01089	0.9
165.02995	1.2
165.04297	22.6
171.10254	0.9
176.03363	1.1
176.07010	0.8
177.04224	3.5
178.05048	1.4
178.99765	2.9
179.05489	1.1
186.09201	2.0
187.03883	0.9
209.03293	6.0
211.03917	1.2
213.06633	2.2
214.12387	4.9
215.11760	7.0
223.13316	1.1
226.02719	1.3
227.03368	2.6
229.09689	3.8
239.47096	0.9
240.10268	2.5
241.09787	2.7
243.03035	7.1
254.02199	1.4
255.02959	15.3
255.11340	1.7
256.03427	1.8
257.10413	1.6
257.12955	27.9
258.13150	3.2
271.02460	37.1
272.02905	3.2
283.10907	12.6
284.11209	0.9
297.34091	1.0
300.02750	52.6
301.03488	31.8
301.11929	38.1
301.15488	1.7
302.03690	2.8
302.12061	2.0
327.09680	3.5
331.17487	0.9
345.10910	100.0
346.11215	9.9
419.14398	2.0
420.14435	1.4
463.08453	37.2
463.13541	4.0
463.22192	5.5
464.08926	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	463.0883
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34890	0.9
54.36519	1.0
57.03441	2.3
58.86980	0.9
59.01379	54.0
60.01719	1.1
61.98830	36.5
65.00313	3.0
68.99823	1.6
69.41829	7.2
71.01380	17.5
72.99312	5.2
73.02953	8.3
74.99092	1.2
75.00859	4.1
82.05042	0.9
83.01393	2.9
83.05013	2.2
85.02951	6.2
85.05258	0.8
86.06496	0.9
87.00871	4.7
87.04514	2.3
89.02441	14.8
93.03422	0.9
95.01393	3.4
97.02944	1.2
97.06547	1.1
98.20675	1.1
99.00896	1.0
101.02435	11.5
101.06068	1.2
101.91672	1.0
107.01379	3.7
107.05039	1.5
108.02164	1.2
109.02946	2.8
110.00080	7.1
111.00884	6.2
113.02449	7.6
119.03496	4.4
121.02962	2.6
123.00875	1.5
123.04490	1.0
125.02395	2.2
132.04518	4.1
133.02869	1.2
133.05263	1.0
134.03752	2.5
135.02994	3.1
135.04515	4.4
136.98914	1.1
137.02405	1.3
137.99567	3.0
139.00368	13.6
139.07664	1.7
143.03474	1.4
143.05003	1.1
148.01599	1.2
149.02441	2.5
149.04655	1.5
149.09741	1.1
150.03156	1.3
150.05618	4.0
151.00363	11.6
152.07205	2.2
159.04483	1.2
161.04555	5.0
163.00288	1.2
163.04025	1.9
164.01172	5.9
165.04283	2.0
165.05592	2.3
165.99065	8.9
166.02655	1.1
166.99889	6.3
171.04482	2.1
173.11714	0.9
174.03168	1.6
175.03935	2.5
177.04166	1.4
178.02744	1.0
178.99831	6.4
179.05637	3.7
181.05032	2.6
183.04494	2.8
184.27313	1.1
187.03918	1.3
193.05025	2.3
193.98602	1.1
194.99312	2.1
197.09702	3.2
198.03174	1.6
199.03941	5.9
201.01949	8.7
203.03491	5.3
203.12817	1.3
206.99265	2.3
208.00095	1.4
215.03506	2.0
216.04132	1.2
226.02646	1.6
227.03459	8.7
230.02344	1.2
231.02968	5.2
241.14478	5.2
242.02148	2.9
243.02992	13.6
245.04556	1.4
255.02983	22.3
256.03418	2.4
257.12616	3.1
259.02414	1.2
259.15567	1.1
265.14374	2.4
270.01648	3.2
271.02466	100.0
272.02927	11.3
283.10855	1.9
287.01935	17.6
288.02429	3.4
298.00882	1.3
299.01959	72.7
300.02686	37.3
301.03476	20.3
301.11920	3.8
301.16507	1.4
302.03888	1.6
315.13660	1.9
316.02216	49.2
317.02982	41.6
317.05948	0.7
318.03326	1.7
327.09293	1.6
331.17657	1.9
345.10760	12.4
345.15381	2.7
346.11066	1.2
373.14233	1.9
375.17886	1.2
403.19495	10.0
463.08786	79.5
463.15433	3.4
463.22153	13.5
464.09085	11.1
464.22015	1.5
484.57281	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.088
Annotation	Unknow
Peak:m/z	Relative Intensity
58.88352	0.6
63.02404	1.0
65.00325	1.9
66.01615	0.7
70.69355	1.2
70.69715	1.5
71.01371	1.2
83.01382	1.5
107.01384	3.6
108.02177	2.6
109.02945	3.1
121.02941	3.0
135.00887	2.3
148.01651	1.8
149.02396	0.8
151.00363	13.9
152.00745	0.9
161.04678	0.7
163.00339	3.6
164.01167	1.6
169.12303	0.7
178.99863	6.3
199.04076	1.7
211.03978	1.1
215.03493	1.1
216.04268	0.9
226.02643	2.0
227.03413	5.6
228.03961	0.8
229.04935	0.8
243.02975	21.3
244.03474	1.6
245.04536	2.1
254.02225	2.9
255.02975	37.2
256.03265	3.6
271.02466	89.6
272.02823	9.4
273.03693	0.9
299.01987	1.9
300.02744	95.6
301.03470	65.4
302.03897	6.3
340.81976	0.7
451.94641	0.6
463.08807	100.0
463.22119	2.5
464.09100	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	463.0882
Annotation	quercetin-3-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
52.50608	0.3
57.03436	0.4
59.01384	5.9
61.98829	2.2
63.02396	3.1
65.00323	5.5
65.00644	0.6
71.01376	3.8
72.99313	1.1
73.02959	1.1
83.01390	4.8
83.05027	0.4
85.02963	1.2
87.00877	1.7
89.02442	1.4
93.03452	1.2
95.01388	0.5
97.02986	0.3
99.00875	0.8
101.02429	1.9
105.01924	0.5
107.01385	12.7
108.99336	0.4
109.02948	0.9
111.00861	0.4
113.02444	0.9
119.03558	0.5
121.02954	10.6
122.02522	0.3
124.01691	0.4
125.02459	1.0
135.00919	0.3
135.03009	0.6
135.04520	0.5
139.03975	0.5
142.99815	0.3
148.01675	0.9
149.02396	1.6
149.04503	0.4
151.00366	52.0
152.00650	2.1
157.08685	5.6
157.25119	0.3
158.09079	0.4
161.04544	0.4
163.00418	1.4
163.03995	0.8
164.01152	1.1
169.01395	1.1
178.99857	23.9
180.00188	1.0
187.03984	0.7
192.00626	0.7
193.01422	1.2
201.05464	0.3
205.05002	0.3
205.83916	0.3
211.04051	0.6
215.03514	0.5
227.03429	0.7
229.05081	1.2
239.03404	0.4
243.02975	1.9
245.04521	1.3
245.10312	3.7
254.02208	0.5
255.02983	4.2
256.03662	0.4
257.04593	0.9
265.14288	0.5
271.02466	8.7
272.03018	0.8
273.04059	2.4
283.02313	0.4
299.01898	0.5
300.02737	13.8
301.03513	100.0
301.20316	0.8
302.03851	9.0
445.07822	0.7
445.24127	0.4
463.08801	34.3
463.25598	11.8
464.09052	4.5
464.25861	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.0882
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71961	0.2
53.58685	0.2
57.82286	0.2
58.02200	0.2
58.96874	0.2
59.01378	3.1
61.98823	0.5
63.02388	0.7
63.81876	0.2
63.88354	0.2
65.00306	1.3
69.81076	1.2
71.01385	1.9
71.20592	0.2
72.99304	0.4
73.02932	0.7
75.64156	0.2
83.01385	1.1
85.02943	0.6
89.02457	1.3
91.01869	0.3
92.30674	0.2
93.03483	0.3
101.02444	1.3
107.01395	3.4
108.02186	1.7
109.02976	1.4
113.02443	0.6
119.03510	0.4
120.76435	0.2
121.02944	2.1
124.01662	0.5
124.07700	0.3
125.02432	0.5
129.07166	0.2
131.03450	0.3
132.04565	1.6
133.05374	0.5
135.00900	1.4
135.03023	0.3
137.02415	0.4
147.00874	0.5
148.01668	1.5
149.02425	0.4
149.04536	0.5
151.00366	12.2
152.00807	0.2
157.06570	0.3
159.04456	0.2
161.04510	0.3
163.00386	2.8
163.04013	0.3
164.01167	1.3
165.04271	0.5
169.01453	0.3
171.04475	0.3
178.99854	6.8
183.04497	0.5
187.03949	0.7
190.99889	0.4
191.05525	0.3
192.00630	0.4
193.05016	0.3
195.04683	0.2
198.03177	0.3
199.03935	1.3
200.04893	0.3
201.01968	0.4
201.05438	0.3
203.03534	0.5
204.42505	0.2
211.04028	1.2
213.01846	0.3
214.02635	0.6
214.12433	0.4
215.03487	1.0
216.04259	0.6
226.02701	2.4
227.03493	3.6
228.04045	0.5
229.01518	0.3
229.05084	0.8
242.02254	0.6
243.02971	12.2
244.03468	0.8
245.04538	1.5
246.04834	0.3
254.02194	2.8
254.39145	0.2
255.02982	27.1
256.03348	2.0
257.04361	0.3
257.12991	0.8
257.84741	0.3
259.02316	0.3
266.02176	0.2
270.01663	0.5
271.02466	64.8
272.02917	6.5
273.04004	1.1
283.02502	1.5
283.10959	0.3
287.01971	1.6
288.02573	0.2
299.01981	1.2
300.02740	100.0
301.03445	47.4
301.11899	1.4
302.03867	3.6
316.02219	7.6
317.02869	2.7
331.17407	0.6
343.04526	0.7
345.11020	2.7
345.15094	0.4
346.11218	0.3
463.08789	75.5
463.21982	3.3
464.09070	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	462.2708
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.0
57.03439	1.1
59.01378	11.2
61.98822	1.8
65.00303	0.4
69.03468	0.3
69.57362	2.0
71.01379	6.5
72.99299	0.9
73.02956	1.9
74.02473	89.9
75.02789	0.7
83.01384	2.1
85.02948	3.9
86.00096	0.9
87.00887	0.8
89.02455	1.2
95.01384	0.9
97.02956	0.3
99.00887	0.9
101.02439	4.8
103.77198	0.3
107.01376	0.4
111.00882	0.6
113.02457	2.2
116.85362	0.3
119.03519	0.6
120.81725	0.3
121.02988	0.4
125.02436	0.4
143.03468	0.4
150.06157	0.3
151.00380	1.7
163.00366	0.5
178.99817	0.7
195.14841	0.4
226.02759	0.4
238.21603	0.4
241.18172	0.3
243.03076	1.6
251.10625	0.4
254.21141	0.8
255.03006	4.1
256.22739	0.8
259.19144	2.3
268.22614	0.3
271.02454	9.6
282.20605	0.4
298.41986	0.4
299.02255	0.5
300.02753	14.2
300.21686	1.0
301.03555	7.1
374.56107	0.3
396.57913	0.3
403.23419	1.7
421.24426	2.0
444.25909	1.0
462.27081	100.0
463.08798	10.9
463.27325	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	462.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.6
57.03437	1.1
59.01114	0.6
59.01383	9.2
60.68489	0.4
61.98827	1.7
70.08662	2.0
71.01382	8.8
72.99308	1.4
73.02946	2.3
74.02474	88.1
75.02807	0.9
78.95913	2.4
83.01385	2.4
83.79470	0.4
85.02958	4.0
85.48534	0.5
86.00105	1.1
86.79716	0.5
87.00890	0.8
89.02436	1.2
95.01414	0.6
98.20625	0.8
99.00921	0.9
101.02446	4.8
107.01393	1.1
108.02135	0.8
109.32126	0.4
111.00881	0.8
113.02457	1.4
121.02955	1.0
128.10814	0.8
141.85190	0.4
147.04486	0.6
151.00386	3.9
163.00317	0.9
171.00620	1.2
178.99828	1.4
227.03413	0.8
228.04388	0.5
235.66930	0.4
243.02954	3.9
254.02046	0.5
254.21179	0.8
255.02989	7.7
256.22751	1.0
259.19171	1.1
261.68668	0.5
271.02460	20.7
272.03183	0.8
273.03979	0.8
299.01718	0.7
300.02731	30.2
300.21875	0.7
301.03479	14.6
301.06879	0.9
322.00281	0.5
385.26901	0.5
403.23361	0.9
421.24429	1.5
444.26132	1.2
460.67212	0.5
462.27078	100.0
463.08844	21.3
463.27307	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	462.2711
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.2
57.03458	0.8
58.00603	0.4
59.01384	9.0
61.98825	1.1
64.11110	0.4
69.92046	2.1
71.01382	5.5
72.99302	0.9
73.02951	2.5
74.02476	87.3
75.02828	1.3
77.04474	0.4
83.01390	2.5
85.02950	3.8
86.00124	0.7
87.00889	1.0
89.02444	0.8
95.01395	0.5
99.00893	0.9
101.02444	4.8
107.01355	0.6
111.00864	0.7
113.02457	1.5
121.02972	0.8
122.20957	0.4
125.02570	0.4
149.99585	0.6
151.00374	2.1
178.99840	1.1
227.03447	0.9
243.03009	1.9
254.02310	0.6
254.21306	0.7
255.03001	3.6
256.22763	0.7
271.02457	9.9
300.02716	14.3
300.21799	1.4
301.03543	7.5
355.06448	0.7
444.25906	1.6
462.27103	100.0
463.08896	12.2
463.27423	12.3
471.93008	0.4
473.48819	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.1
57.03463	0.7
58.00585	2.0
59.01380	55.5
59.98528	1.6
61.98841	3.7
65.03975	0.9
66.04295	0.5
69.03457	3.0
69.96273	1.9
71.01383	57.3
72.99316	5.5
73.02948	4.6
75.00891	0.9
81.03457	2.4
83.01387	2.8
85.02952	7.9
87.00864	3.3
89.02444	73.6
89.99787	0.6
90.02769	0.7
95.01385	1.2
97.02957	4.7
99.00887	1.6
99.04539	1.8
101.02440	13.6
111.00891	2.1
113.02452	10.6
113.03217	0.5
115.03976	0.7
119.03502	3.2
125.02441	17.4
126.02762	0.7
127.04025	0.9
129.01892	0.5
131.03500	15.7
132.03859	0.8
143.03510	1.4
145.03023	0.6
147.04549	3.2
148.04858	1.6
149.04546	22.4
149.99544	0.5
167.10771	100.0
168.00581	1.4
168.11111	4.7
191.05615	7.1
205.10315	0.8
206.10506	0.9
207.11850	2.7
208.12083	1.7
209.12448	1.3
224.05731	0.6
233.06635	4.1
241.01454	1.4
251.10805	5.2
252.11057	6.4
253.11406	7.0
270.01669	0.9
271.02423	1.7
275.68011	0.6
293.08792	14.8
294.09106	0.7
295.09750	16.1
296.06726	0.7
296.10095	21.1
297.10349	36.5
298.10663	1.8
299.01910	1.6
458.76511	0.6
461.07172	2.0
461.17188	8.0
461.24142	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	461.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68001	1.8
52.23201	2.3
55.01872	3.4
57.03434	4.4
59.01380	100.0
60.01699	2.0
61.98827	6.9
69.03436	2.2
71.01382	55.0
71.13277	3.4
72.99323	3.7
73.02939	7.3
83.01384	2.9
85.02941	19.7
87.00900	5.1
89.02445	67.3
95.01407	4.0
96.96007	3.7
101.02445	35.2
107.04987	1.8
109.02966	1.7
113.02449	25.5
119.03510	27.2
123.04532	2.7
125.02352	2.2
127.07613	1.9
131.03511	2.5
135.04521	3.3
137.06094	7.1
138.06851	5.2
139.07652	2.5
143.03558	8.9
149.04524	3.4
151.07681	5.5
152.01144	3.0
153.01947	4.1
153.09221	25.9
159.03056	3.2
161.04552	13.1
165.09218	4.8
167.03506	6.8
179.05550	13.8
181.05043	21.1
203.03546	2.2
203.10767	5.8
206.09453	5.6
221.04558	1.9
221.11816	22.8
239.12984	13.3
240.13412	2.3
289.22983	1.9
317.16052	4.4
343.10336	3.4
401.18127	13.1
461.12924	7.3
461.20129	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	461.2028
Annotation	Valerosidatum
Peak:m/z	Relative Intensity
51.98700	0.6
55.01880	1.1
57.03440	1.9
58.00589	0.8
59.01382	21.2
63.09293	0.6
69.41937	3.7
71.01379	14.9
71.04987	0.9
72.99305	1.4
73.02946	9.3
75.00829	0.6
82.04285	0.6
83.01382	2.1
83.05013	0.8
85.02947	7.4
87.00878	1.0
89.02452	8.2
95.01416	1.1
95.04999	0.7
99.00883	1.6
99.04501	2.8
101.02448	11.4
107.04986	0.7
108.02156	1.4
109.02965	1.4
109.17558	0.5
111.04533	2.0
113.02434	5.3
113.06124	0.7
119.03486	3.8
121.02970	0.6
121.06609	0.8
122.03722	1.2
123.04513	5.1
123.08125	1.0
125.06098	1.6
133.06555	0.8
135.03009	0.6
136.05310	0.8
139.04065	0.8
139.07663	1.4
141.05617	0.7
143.03465	0.9
147.04520	1.4
149.06096	8.8
151.07632	4.4
157.05046	2.0
159.08095	1.4
161.04567	2.7
161.05949	1.3
163.07603	1.9
165.09296	0.8
169.08636	1.0
171.04553	0.7
172.05183	0.8
175.03857	0.7
177.09160	0.9
179.05624	1.4
187.07674	5.8
189.05553	4.6
189.09244	1.0
190.06326	1.3
203.07103	0.7
205.08752	6.1
207.06660	3.4
208.07094	0.7
223.09717	3.2
263.12830	2.0
266.97644	0.7
281.13870	0.7
299.14984	40.9
300.15369	3.4
341.03027	0.7
401.18579	0.7
461.20273	100.0
462.20590	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	461.1435
Annotation	Exoticin
Peak:m/z	Relative Intensity
50.56967	11.1
59.01374	40.1
61.98825	24.3
69.75961	55.4
71.01363	50.2
73.02946	11.0
85.02952	12.5
87.00880	20.8
89.02468	29.7
93.03458	14.6
99.46094	8.5
101.02454	44.6
109.02925	12.0
111.57573	8.7
113.02465	21.5
119.03535	14.9
130.39737	9.4
137.02460	23.8
151.67676	9.8
152.10242	8.9
152.30940	9.9
179.05652	21.1
198.09148	11.1
218.54248	10.2
226.42609	11.7
230.89467	10.3
295.01300	12.4
299.07935	10.2
299.11395	10.6
425.16748	23.2
461.13989	100.0
462.14615	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	461.1669
Annotation	Forsythoside E
Peak:m/z	Relative Intensity
51.93575	1.3
52.55966	1.1
54.11460	1.1
55.01869	2.9
57.03426	4.8
58.00571	2.2
59.01379	100.0
60.01700	1.6
61.98830	8.2
65.71549	1.1
66.54678	1.2
69.03418	1.4
71.01381	70.2
71.53979	2.0
72.01694	1.6
72.25816	1.5
72.99296	5.5
73.02945	12.9
75.00860	2.4
76.37025	1.1
78.80859	1.1
83.01361	4.2
85.02950	20.7
87.00864	8.2
89.02445	65.1
93.03437	1.7
95.01362	5.0
95.05010	1.7
96.95971	2.3
96.96959	1.2
97.02902	2.3
99.00858	3.7
101.02444	46.5
109.02934	1.6
109.06581	2.3
111.04450	1.5
113.01723	2.1
113.02454	29.3
119.03519	25.5
119.05014	14.2
119.54176	1.1
122.03685	1.2
123.04469	2.7
125.02393	3.2
129.01917	1.2
131.03499	6.7
133.06514	1.6
135.02980	3.2
135.04539	1.3
137.02350	3.4
137.06018	3.1
138.01935	2.4
143.03503	6.5
149.04562	1.9
149.05859	1.3
151.07652	5.7
153.01912	1.3
159.02951	2.9
161.04550	18.3
163.07645	6.8
167.03482	1.6
168.07898	2.0
169.03244	1.7
169.49240	1.1
179.04108	2.0
179.05612	24.4
179.10715	4.1
181.05074	1.5
203.10738	1.9
211.04279	2.1
221.06630	9.1
221.11797	15.9
239.09177	3.2
239.12842	3.3
263.09134	1.7
281.10168	4.1
297.19830	1.2
299.01953	1.6
299.11441	13.6
299.14777	2.3
300.11572	1.5
304.18359	1.2
401.17862	3.2
443.15268	1.7
461.16452	73.1
462.16479	6.6
465.86392	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.13
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	4.6
57.03447	3.3
59.01109	2.4
59.01379	35.6
61.98822	8.9
71.01383	63.3
71.20841	4.9
72.99288	3.8
73.02943	20.3
75.00858	3.6
77.68802	1.8
83.01353	6.8
84.02155	1.9
85.02947	28.8
87.00844	4.2
89.02444	19.9
93.03432	3.5
95.01371	8.4
96.95975	3.9
97.02927	4.3
99.00874	18.2
99.04479	4.8
101.02438	35.1
107.05001	5.3
108.02152	6.0
109.02930	8.3
113.02448	31.3
116.72398	1.8
119.03490	4.7
119.04996	2.0
121.02912	7.0
122.03734	93.0
123.00878	4.1
123.04536	50.6
124.04852	2.1
125.02438	3.1
131.03488	2.8
135.02937	4.5
135.04474	4.2
137.02396	10.1
137.06056	5.3
138.03178	2.1
140.09949	1.8
143.03506	3.2
147.04463	4.2
149.05978	2.1
151.03987	3.5
153.01865	3.9
159.02934	7.6
161.04549	35.7
164.07098	4.8
165.04153	3.1
165.05507	11.3
174.92406	1.8
177.05511	5.1
179.05562	3.0
181.04999	5.5
193.78960	2.3
217.08437	1.9
263.09216	2.2
281.10382	10.6
285.09784	23.5
299.11301	3.0
299.14865	3.9
417.14014	57.6
418.14151	4.9
461.12839	100.0
462.13300	13.2
479.29630	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	459.3844
Annotation	Protopanaxadiol
Peak:m/z	Relative Intensity
59.01347	0.4
61.98840	0.4
64.03572	0.3
64.03910	0.3
70.51032	0.3
71.50571	0.3
74.16950	0.3
74.66249	0.3
90.61987	0.3
102.83165	0.3
115.79254	0.3
116.92862	0.4
189.06201	0.3
234.03857	0.3
238.64421	0.3
296.34912	0.3
302.60318	0.3
345.37833	0.3
371.95737	0.3
412.91455	0.3
459.38461	100.0
460.38858	16.2
460.45370	0.8
461.86569	0.3
481.86215	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.3843
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.8
61.98833	0.4
111.39086	0.3
116.92898	0.7
142.39822	0.3
162.68050	0.3
184.52133	0.4
208.82132	0.3
209.15549	0.5
217.14856	0.3
229.41045	0.4
277.21786	0.3
459.38550	100.0
460.38904	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	461.1089
Annotation	Isorhamnetin 3-rhamnoside
Peak:m/z	Relative Intensity
57.03424	0.4
58.58582	0.4
59.01375	6.9
61.98819	0.7
65.00337	0.6
69.85944	1.8
71.01376	2.8
72.99307	0.8
73.02929	1.2
74.71219	0.4
79.58327	0.4
83.01392	1.0
85.02918	0.8
89.02437	1.6
90.98605	0.6
98.20553	0.7
101.02433	1.8
107.01395	1.1
113.02499	0.6
117.05584	0.8
119.03516	0.7
121.02974	0.6
125.02420	0.5
125.09660	0.4
135.00868	0.6
136.51787	0.5
145.03009	0.4
151.00352	3.8
153.01898	0.5
161.04530	0.5
163.00319	0.8
163.03960	0.6
171.04498	1.4
178.99815	1.0
183.04530	0.5
187.04004	0.5
199.03960	5.9
201.01976	2.4
203.03497	1.1
215.03447	5.0
223.20430	0.5
226.02660	0.8
227.03468	6.1
229.01276	0.8
242.02164	11.7
243.02950	51.7
244.03348	3.8
255.02937	4.7
257.04535	14.6
258.04813	0.8
269.04318	0.4
270.01675	14.5
271.02448	56.7
272.02808	4.6
281.17596	2.7
285.04031	29.8
286.04684	8.6
287.05341	0.8
298.01266	0.6
299.01974	19.5
300.02658	15.6
301.03040	1.4
314.04303	60.5
315.05017	38.0
315.08823	0.8
316.05353	4.2
357.05948	1.0
395.33115	0.4
401.25684	0.9
461.10876	100.0
461.23441	3.2
462.11230	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	459.2905
Annotation	Menatetrenone Epoxide
Peak:m/z	Relative Intensity
59.01384	0.2
71.18089	0.4
80.28674	0.2
89.01612	0.2
107.05026	29.1
108.05354	1.2
113.85535	0.2
116.92871	0.6
121.06625	0.3
126.75993	0.2
147.08136	0.3
154.46890	0.2
163.11281	100.0
164.11603	6.1
238.10054	0.4
280.14719	0.3
283.17017	24.8
284.17328	2.4
295.16995	15.4
296.17383	1.4
415.35922	0.5
447.87256	0.2
459.29025	83.4
459.38507	14.5
460.29358	15.4
460.38797	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	459.3845
Annotation	Protopanaxadiol
Peak:m/z	Relative Intensity
59.01367	0.6
61.98832	0.4
70.77036	0.4
73.06155	0.1
108.41020	0.2
116.92841	0.4
146.00618	0.2
181.07138	0.2
222.87292	0.2
279.86710	0.2
393.86737	0.2
415.32077	0.4
452.03888	0.2
459.38470	100.0
460.38824	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	459.3843
Annotation	Urs-3beta,13alpha,18beta-triol
Peak:m/z	Relative Intensity
61.98847	0.3
62.55042	0.3
72.99297	0.6
83.12520	0.3
98.19907	0.7
111.08177	1.9
147.78357	0.4
173.47325	0.4
247.96051	0.4
413.37878	23.3
414.38171	3.6
441.37302	1.7
459.38419	100.0
460.38736	17.0
468.86801	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
55.87826	0.4
56.51710	0.4
57.03461	0.4
58.42086	0.3
59.01382	12.1
59.59003	0.3
60.01716	0.3
61.98821	1.0
63.46616	0.3
65.03963	2.3
69.03455	0.8
69.32897	0.4
69.65044	1.1
69.65459	1.4
71.01395	3.2
71.56659	0.3
72.99315	0.8
73.02941	1.3
83.01344	0.4
85.02944	1.2
87.00865	1.2
89.02448	1.4
95.01355	0.4
95.40160	0.3
99.00878	0.8
101.01376	0.4
101.02450	2.1
103.02268	0.4
111.00899	0.4
113.02426	1.1
115.05543	0.5
118.25531	0.4
118.71083	0.4
121.03010	0.4
147.04510	6.0
148.04881	0.7
161.04521	0.6
179.08661	0.5
180.68976	0.4
181.07193	0.9
197.23808	0.4
205.10158	3.2
206.10654	0.4
207.11775	7.9
208.12126	0.7
221.09694	0.5
251.10754	26.2
252.11098	2.5
291.18198	0.6
295.09747	100.0
296.10098	9.3
314.74142	0.4
344.00903	0.4
399.23575	0.7
423.22400	4.1
424.22675	0.6
437.61557	0.4
459.15833	8.9
460.16559	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.187
Annotation	Apiosylepirhododendrin
Peak:m/z	Relative Intensity
52.38750	1.1
55.01875	1.9
57.03442	3.1
58.00586	1.4
59.01383	50.1
60.01700	1.1
61.98840	5.5
69.03440	4.6
69.07731	0.9
69.43268	2.0
69.43676	6.6
70.97038	1.1
71.01383	32.0
72.80123	1.1
72.99309	3.6
73.02945	12.3
74.99048	1.1
75.00872	2.8
83.01395	6.1
85.02955	15.5
86.00103	1.2
87.00882	4.2
89.02442	14.5
93.03482	1.2
95.01405	2.5
95.02876	1.1
97.02945	2.9
99.00883	7.0
99.04520	2.0
101.02448	26.5
102.98586	1.0
106.04219	1.3
111.00897	2.1
113.02455	11.9
113.83930	1.0
119.03486	3.1
119.35337	1.0
120.99648	5.5
121.06567	1.3
123.04539	1.6
125.02396	2.0
125.06075	1.4
126.58765	1.1
128.03566	1.2
131.03499	2.0
135.02960	1.3
137.09706	1.2
149.04532	1.4
159.02934	1.2
161.04555	2.6
163.03915	1.3
165.05531	1.4
165.09213	54.8
166.09532	2.3
185.00832	1.5
192.00627	2.3
195.08394	1.0
211.09683	1.3
213.25423	1.1
237.11394	2.2
239.10942	1.1
247.09981	1.1
251.10960	1.6
281.11990	2.4
297.13434	3.6
312.02496	1.7
327.14487	35.3
328.14725	3.7
343.06097	1.3
371.15344	1.7
402.07535	1.2
441.21344	3.5
454.24176	1.1
459.08447	2.7
459.18610	100.0
460.18900	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	459.2603
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.8
56.60179	0.3
57.03432	0.4
58.00595	0.6
59.01380	100.0
60.01715	1.5
61.01822	0.4
61.98831	1.9
63.96256	0.3
66.09399	0.3
69.03468	1.0
71.01382	12.0
71.55534	0.4
72.99329	1.4
73.02949	3.1
75.00880	0.4
83.01406	1.3
83.05019	0.4
85.02951	3.4
87.00868	2.6
89.02448	7.7
94.41186	0.4
95.01397	1.0
96.99335	0.6
97.02947	0.5
99.00890	1.9
101.02438	6.6
102.02861	0.4
111.00888	0.7
113.02443	5.6
115.05559	0.7
119.03510	2.4
119.04993	0.8
120.79788	0.4
121.02992	0.6
125.02464	0.8
131.03542	1.3
135.03011	0.7
142.99887	0.7
143.03564	0.7
147.04501	1.7
149.04521	1.9
161.04515	2.6
162.03198	0.5
179.05637	0.5
181.07137	2.0
181.10313	0.4
185.00883	0.7
189.87305	0.3
191.05672	0.7
205.10298	0.6
207.12088	0.4
208.09007	0.7
221.09793	0.4
223.11356	1.4
228.77466	0.4
233.09674	1.7
251.10799	0.9
267.10181	0.5
277.08551	0.5
279.42862	0.3
283.07928	0.3
293.09134	0.4
295.09750	8.7
296.10168	0.9
297.10550	0.8
297.20950	0.4
311.09436	0.6
327.17725	1.3
327.56848	0.3
399.24008	3.7
400.24542	0.8
417.25003	4.2
418.25363	0.5
423.22717	0.8
459.15421	0.5
459.21295	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08046	0.5
59.01377	2.0
59.75894	0.6
61.98814	0.7
67.63300	0.5
70.87100	1.5
71.01384	3.9
79.63316	0.6
82.66866	0.5
93.03455	23.3
94.03802	0.9
113.60048	0.7
115.00348	5.8
117.03470	1.4
117.07034	0.6
119.05038	3.3
121.02944	2.4
125.17411	0.5
132.05840	0.8
134.03735	2.1
145.06586	3.9
147.04510	1.4
161.06110	0.5
162.03174	3.2
163.03954	1.4
169.06589	0.6
192.86211	0.6
193.06543	1.1
195.08133	13.1
196.08430	1.0
196.65991	0.6
206.07347	2.8
207.08167	9.6
208.08676	0.9
209.09731	0.6
219.08154	1.5
221.09712	25.7
221.11880	1.3
222.10213	3.4
223.11270	100.0
224.11589	9.5
237.09169	5.8
267.10248	7.4
268.10468	0.6
311.09167	4.2
327.17245	1.0
459.14444	22.5
460.14810	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	459.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.4
59.01383	9.1
61.98817	0.9
64.64317	0.4
69.66756	1.1
69.67168	1.5
71.01376	6.1
72.99318	1.0
73.02932	1.2
75.23598	0.4
83.01382	0.9
85.02951	1.6
87.00851	0.4
89.02445	4.2
96.74276	0.4
96.99316	8.7
101.02447	7.5
103.05553	1.0
113.02457	1.0
115.00374	0.5
115.05542	6.5
116.05867	0.8
117.03454	1.4
118.70898	0.4
119.03526	1.0
119.05025	0.8
121.02997	1.0
131.04996	1.2
145.06549	0.6
147.04524	11.1
148.04837	0.6
155.04942	0.4
163.06113	1.0
176.70833	0.4
177.59297	0.5
180.77504	0.5
181.07173	24.9
182.07419	1.0
183.27368	0.5
205.10254	3.7
207.11757	1.0
221.09534	0.5
223.11313	0.7
233.09702	26.4
234.10019	1.6
236.75029	0.5
277.08710	9.0
278.09027	1.0
295.09741	100.0
296.10068	12.1
299.54053	0.4
327.17700	1.2
459.16626	5.8
460.16803	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09836	0.2
57.03453	0.3
59.01380	21.7
61.98833	2.2
65.03979	1.8
69.03451	1.1
69.65284	1.1
69.65688	0.7
71.01388	5.0
71.98554	0.3
72.99318	1.1
73.02940	1.7
83.01394	0.8
85.02952	1.0
87.00878	1.9
89.02444	2.3
95.01443	0.3
97.02927	0.4
98.19896	0.5
99.00874	0.8
101.02448	3.1
103.05569	0.3
111.00878	0.5
113.02439	2.2
119.03502	0.7
119.04994	0.5
121.10226	1.0
122.16041	0.3
129.75565	0.3
134.03737	0.3
135.02936	0.4
137.02437	0.5
139.00354	0.3
142.99861	0.4
147.04527	7.1
148.05045	0.4
150.45311	0.4
159.02919	0.3
161.04581	1.0
162.86072	0.3
165.06990	0.3
165.09160	0.7
166.57913	0.3
179.08682	0.6
181.07176	1.5
185.00887	0.7
191.08690	0.3
204.08727	0.3
205.10219	4.1
207.11794	9.0
208.12141	0.8
223.11354	0.6
251.10767	29.3
252.11148	2.2
291.17981	0.3
295.09750	100.0
296.10117	9.6
399.23676	1.1
417.24625	1.2
423.22314	2.3
459.16226	8.7
459.21796	1.3
460.16873	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	8.4
66.02528	0.6
69.22972	6.1
71.01390	4.4
72.99307	1.5
85.02919	0.9
86.26491	0.8
87.00877	0.8
93.03444	1.9
98.19847	1.4
103.21761	0.6
104.59949	0.6
115.00375	8.4
116.00726	0.7
117.07092	3.0
119.04986	2.3
120.99709	0.7
121.02925	2.2
142.68866	0.7
157.01370	0.7
182.07349	12.3
195.08211	4.1
196.08385	0.8
197.09718	41.2
198.10057	2.3
206.07390	1.0
208.08858	2.4
210.10486	1.7
219.08107	1.3
221.09627	2.2
223.07793	1.6
223.11259	10.4
225.09267	0.7
229.15562	0.6
236.11934	1.3
242.09453	2.4
249.12849	2.6
267.10321	1.6
284.12097	6.5
297.12787	1.6
299.14389	22.3
300.14764	2.8
301.18240	1.3
309.12787	1.0
310.13696	0.8
311.09085	1.2
311.14389	6.0
312.15204	9.8
313.15475	1.3
325.12399	0.8
325.15952	7.1
326.01025	0.7
326.16492	1.1
327.17526	100.0
328.17911	13.4
341.15314	3.2
343.13348	7.4
352.84814	0.7
353.15421	19.1
353.42761	0.7
354.15875	1.9
371.16501	12.2
372.16837	1.5
397.14520	1.5
401.08566	0.8
407.00229	0.7
415.09915	0.9
415.15497	24.5
416.15823	4.1
459.14499	26.4
460.14886	4.6
461.36237	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16474	0.8
59.01108	0.8
59.01380	8.9
66.62231	0.9
71.01382	24.5
72.99294	1.0
74.44749	0.9
93.03450	2.2
98.20664	1.4
115.00375	48.0
115.05582	1.1
116.00716	0.8
117.07086	3.0
119.05008	1.7
120.99661	1.2
121.02958	22.1
130.04193	0.8
132.05875	0.8
137.80286	0.7
147.04530	0.9
181.06577	1.4
182.07355	14.3
195.08156	3.6
197.09717	42.4
198.10063	2.6
206.07404	1.1
208.08917	6.7
210.10532	1.8
219.08075	1.6
221.09682	4.7
223.07823	1.7
223.11258	17.2
224.11667	1.3
225.05505	1.9
233.09724	0.8
235.11317	1.4
236.12057	4.3
242.09428	2.4
247.11392	1.2
249.12871	2.2
267.10257	3.3
284.12073	11.7
285.12363	1.4
293.08255	0.9
297.12823	2.4
299.14398	44.1
300.14600	5.5
309.13004	0.8
309.16428	1.0
311.09213	2.8
311.14368	5.9
312.15121	9.6
313.03760	1.2
313.07187	3.6
313.15500	1.4
325.12241	1.3
325.15903	6.9
326.16510	1.5
327.17523	100.0
328.17889	11.9
341.15524	2.6
343.13354	15.7
344.13647	2.3
351.13986	1.4
353.15457	19.3
354.15701	2.3
357.06006	1.2
359.16531	0.9
371.16473	12.7
372.16690	1.7
378.05994	0.7
397.14377	2.3
401.08755	14.4
402.08734	1.2
415.15515	21.1
416.15866	2.6
459.14487	20.9
460.14743	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	457.3687
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35557	1.1
50.86122	1.3
50.95419	1.1
69.44592	9.8
69.52615	1.4
93.81972	1.2
98.19846	2.5
119.64492	1.3
122.55032	1.5
217.98860	1.2
254.11105	1.3
264.60452	1.3
401.04352	1.5
457.36923	100.0
458.37180	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	458.2371
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	1.8
60.00903	76.2
61.01255	1.1
61.98818	1.9
66.71417	1.1
68.76578	1.0
69.99166	4.6
78.84949	1.1
80.84550	1.0
88.79565	0.9
103.95927	0.9
116.92878	1.0
147.08145	2.2
149.09738	2.2
152.99600	1.1
163.11267	3.9
187.11313	2.5
263.12061	0.9
277.21530	1.2
278.35931	0.9
293.60245	0.9
309.22159	2.5
337.21719	100.0
338.22070	13.5
369.65521	1.0
458.23624	11.1
458.33545	1.6
459.23907	1.7
459.34689	3.6
470.71695	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.0933
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27685	0.5
57.03434	0.6
57.93183	0.5
59.01378	13.8
61.98827	1.6
69.03447	0.8
71.01376	4.0
72.99306	1.8
73.02924	0.7
75.00869	2.1
75.91479	0.5
84.36727	0.5
87.00880	1.1
89.02460	1.1
93.03468	2.0
101.02457	1.1
106.44627	0.6
111.00890	0.8
113.02437	1.0
115.00346	2.7
115.62331	0.5
117.07129	0.6
119.05019	2.3
121.02961	100.0
122.03312	3.7
132.05795	1.9
147.04482	0.9
157.01459	0.7
163.03999	0.9
164.04785	1.2
180.05801	1.3
181.06587	6.6
182.07227	0.7
195.08148	1.8
197.09756	2.8
208.09042	0.5
209.04572	0.7
221.09718	2.2
223.11307	7.8
224.11661	0.6
225.05557	7.3
237.09280	0.6
263.23163	0.5
267.10190	4.2
284.12085	0.6
293.08124	0.9
299.14407	3.4
300.14911	0.7
301.18118	1.0
311.14273	0.8
312.15082	1.1
313.03677	0.7
313.07159	16.6
314.07413	1.5
325.16092	0.8
327.17542	9.6
328.17929	0.9
341.15323	0.9
343.13428	0.7
353.15530	1.8
354.15771	0.6
357.06155	4.6
371.16638	1.4
401.08765	60.3
402.09122	6.2
415.15515	2.0
459.14520	5.1
460.14987	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2262
Annotation	Unknow
Peak:m/z	Relative Intensity
55.26946	0.2
56.60209	0.1
56.81798	0.1
60.11077	0.2
70.26743	0.1
71.18084	0.3
81.60471	0.2
85.85275	0.1
86.02798	0.2
99.92579	5.4
100.92669	0.4
100.93355	6.2
101.93373	0.3
113.92575	0.2
115.92075	100.0
116.92081	4.5
116.92867	5.9
117.92686	0.2
129.37979	0.2
132.92372	1.1
142.94432	0.2
155.95203	0.3
172.95457	4.1
173.95648	0.2
210.91281	0.2
283.26489	0.7
383.19046	0.6
399.18436	0.2
409.20456	1.1
410.20584	0.2
415.89862	0.2
439.21927	0.2
457.22672	3.8
457.37469	0.3
458.22995	0.7
470.86160	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	457.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.2
57.03451	1.2
58.00591	1.7
59.01381	100.0
60.01724	1.6
61.98836	1.7
64.21262	0.7
69.03455	5.8
71.01385	47.5
71.10986	0.8
71.55312	0.9
72.99319	2.9
73.02948	8.7
75.00871	2.3
80.91703	1.6
81.03467	2.4
83.01375	5.1
85.02938	5.1
87.00887	4.5
87.49154	0.6
89.02447	58.5
90.02797	1.2
93.03449	1.2
95.01402	2.0
96.96013	0.8
97.02945	7.0
99.00880	10.1
99.04530	0.8
101.02448	11.7
101.03097	0.8
101.35670	0.8
102.98608	1.4
103.00375	4.8
113.02444	6.0
115.04011	3.9
119.03515	2.1
119.05022	6.9
121.02971	1.2
123.00901	0.7
125.01527	1.4
125.02456	27.1
127.04022	1.1
131.03528	6.2
135.03009	0.9
135.04538	0.8
143.03529	2.4
145.01456	1.9
147.04576	1.5
148.05302	31.9
149.04590	7.4
149.05688	1.9
161.04539	3.5
163.04066	3.3
163.07625	8.7
173.04517	1.0
185.00990	0.8
191.05600	4.0
195.08224	1.6
221.09875	1.0
233.06670	16.8
235.13435	0.8
249.09183	1.1
253.18150	2.4
293.08786	12.9
293.11908	0.7
311.09161	7.7
332.30365	0.7
353.10324	1.0
397.22519	1.6
457.21201	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1933
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02985	1.5
55.01868	4.7
57.03445	3.3
57.93034	1.5
59.01377	58.7
60.01707	1.9
61.98822	13.3
71.01380	43.8
71.54625	1.8
72.99277	3.9
73.02945	16.4
75.00874	10.0
76.50253	1.5
78.95908	3.1
83.01385	11.0
85.02939	20.6
87.00859	6.0
89.02442	15.4
93.03445	5.9
95.01377	2.9
96.21812	1.6
96.95997	21.2
96.96963	4.7
97.02916	2.8
99.00863	4.9
99.04566	2.0
99.40052	1.6
101.01796	2.8
101.02439	43.7
103.04025	3.0
111.00887	4.2
113.02443	17.0
119.03543	7.9
119.05021	25.0
125.02402	8.1
128.92018	1.8
129.01930	2.2
131.03487	2.1
133.06577	7.5
135.04486	1.8
143.03487	1.9
145.02858	1.7
145.05101	1.8
147.04568	2.3
149.06093	2.0
150.22780	2.0
159.02963	3.4
161.04526	14.3
161.06029	7.6
163.03938	3.6
163.06067	5.9
173.06024	6.5
179.05710	1.9
191.07140	9.0
205.05014	9.6
205.06961	3.5
215.07050	5.9
223.06146	2.2
233.08078	6.5
242.09386	1.7
247.08299	2.4
251.08900	3.2
251.11349	45.3
252.11691	3.4
295.08206	4.1
311.23209	1.8
385.11276	1.8
396.55750	2.2
397.17120	100.0
398.17346	9.0
457.12457	3.6
457.17615	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	457.0988
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81717	0.5
55.01880	0.6
58.00596	0.9
59.01379	27.6
61.98828	1.3
69.03448	0.8
69.50555	3.7
71.01381	5.1
72.99310	48.3
73.02939	1.5
85.02946	1.3
87.00893	2.6
89.02448	5.2
93.52975	0.6
98.19930	1.1
99.00857	3.7
101.02434	1.4
109.02969	0.5
109.24683	0.5
113.02457	1.3
115.00394	0.9
117.01941	28.1
121.02956	100.0
122.03279	3.9
127.00360	1.7
129.01929	1.1
173.00897	8.1
239.05598	28.6
240.06017	1.5
249.94879	0.5
304.00626	0.6
425.07095	1.2
444.94391	0.6
457.20996	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55980	0.8
57.03435	2.2
58.00592	1.8
58.44093	0.9
59.01379	100.0
61.98807	2.1
67.59235	1.1
69.03470	1.6
69.80389	0.8
71.01382	25.0
72.99300	3.3
73.02945	5.0
83.01389	2.6
85.02952	6.2
87.00865	3.5
89.01933	1.6
89.02444	27.0
93.03423	1.0
95.01421	1.1
97.02938	1.3
99.00858	2.0
99.04482	1.1
101.02439	14.7
103.00355	3.1
103.05524	1.4
113.02448	13.4
115.05525	1.1
119.03503	10.8
119.05001	2.6
131.03516	2.1
131.05002	2.2
133.06537	1.3
143.03493	1.8
145.06563	1.2
147.04497	4.8
149.04585	1.4
161.04547	3.9
161.06065	6.1
163.02469	3.4
163.03954	2.0
179.05614	3.1
179.33896	0.9
181.86392	0.9
185.00975	1.3
193.10258	1.8
195.08083	5.2
205.10204	3.5
207.11737	2.1
233.09702	7.9
247.11288	2.4
251.10684	7.6
260.84354	1.0
267.10410	1.0
275.10779	1.7
277.08612	3.3
295.06390	2.0
295.09729	37.5
295.44489	1.1
296.10043	4.7
309.11496	1.0
311.09253	3.3
337.07016	1.5
337.10828	15.8
338.10931	1.9
341.06522	1.0
351.05252	1.2
397.13031	1.9
397.22211	2.2
407.28036	1.0
415.23434	1.4
457.14935	1.4
457.20795	2.8
470.18567	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.7
58.00585	1.2
59.01378	46.5
60.01717	0.9
61.98832	0.7
64.22932	0.6
71.01380	21.4
72.99303	2.7
73.02937	1.7
79.46528	0.6
83.01376	1.6
85.02937	3.8
85.90817	0.6
87.00876	1.4
89.02440	26.2
95.01367	1.4
96.99313	11.5
97.02924	0.7
101.02447	10.4
103.05489	0.7
113.02444	9.3
115.05531	7.7
116.83993	0.7
117.03477	1.7
119.03497	9.1
119.04979	1.0
121.02969	0.8
125.02431	0.6
131.03490	1.2
131.05016	1.9
143.03471	1.8
145.06522	0.8
147.04512	12.2
149.04533	1.4
161.04517	1.7
179.05632	3.0
191.08675	0.9
205.10176	5.6
206.10542	0.6
207.11725	1.3
233.09700	35.6
234.10083	3.4
245.09607	0.8
251.10699	1.9
253.17957	0.7
263.10736	2.5
277.08661	13.2
278.08997	1.8
290.85898	0.6
293.11838	1.0
295.09741	100.0
296.06882	0.5
296.10095	10.9
309.11273	0.8
337.10876	6.3
338.11386	1.0
353.97952	0.6
397.12927	1.3
397.22238	1.6
415.23270	2.0
457.13934	0.9
457.24429	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	457.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
55.71909	0.6
58.00584	1.4
58.01187	0.6
59.01379	59.7
60.01713	0.7
61.98834	1.0
66.63782	0.6
71.01002	1.2
71.01381	19.0
72.99306	1.7
73.02930	2.3
75.00877	1.9
83.01368	0.8
85.02956	4.5
87.00876	1.4
89.02444	21.0
95.01407	1.5
96.45866	0.7
96.95982	0.7
96.99309	5.4
98.20644	2.5
101.02441	10.7
103.05518	1.3
113.02454	8.6
115.05543	6.5
117.01928	2.3
117.03454	2.6
119.03503	8.7
119.05003	2.3
121.02953	0.9
127.51810	0.7
131.03481	0.9
131.05034	2.9
133.06537	0.8
135.02998	5.9
143.03531	1.2
145.06580	1.4
147.04527	9.4
156.05801	1.0
161.04530	1.9
161.06068	2.7
171.04530	0.8
177.04044	2.9
179.05597	1.9
191.08667	0.6
193.10219	1.0
205.10231	6.7
207.11761	3.8
225.47052	0.8
229.45752	0.9
233.09686	44.3
234.10054	2.9
245.09570	0.9
247.11322	2.1
249.09238	1.1
251.10812	5.9
263.10770	2.7
265.12277	0.9
277.05737	1.2
277.08664	17.7
278.09109	1.8
295.09732	100.0
296.10095	10.2
306.23563	0.7
309.11212	1.5
337.10760	15.3
337.14502	1.2
338.10992	1.4
367.11859	1.2
397.12927	3.5
397.22058	1.4
415.23135	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3531
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81607	0.2
73.75219	0.2
98.19848	0.5
149.83020	0.2
229.09669	0.3
266.52475	0.2
362.34467	0.2
387.11389	0.2
424.34247	0.3
443.05237	0.2
455.35291	100.0
456.35663	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	457.0987
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	46.3
61.98834	2.5
64.95589	0.7
68.04388	0.7
68.99800	0.7
69.03455	1.5
69.53546	3.8
71.01378	8.0
72.99310	44.9
73.02958	1.5
75.00888	0.7
85.02963	2.0
87.00884	5.4
89.02438	6.1
96.96020	1.2
99.00884	3.9
101.02442	3.4
102.98617	1.5
109.02993	0.9
113.02424	3.5
117.01943	26.7
119.03474	0.9
119.05009	1.4
121.02958	100.0
122.03298	3.0
126.48050	0.6
127.00369	2.2
135.03012	1.0
157.01431	0.7
161.04544	0.9
164.25523	0.8
173.00897	6.7
174.01335	0.8
218.11984	0.8
233.11763	0.7
235.13365	1.5
239.05614	27.1
240.05928	1.9
265.92346	0.7
295.04672	1.1
295.12006	1.3
425.07172	1.2
457.15756	1.3
457.21146	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	457.0989
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03480	0.6
59.01379	22.7
60.87537	0.5
61.98537	0.8
61.98836	10.6
64.34210	0.6
68.99836	0.6
69.03445	1.6
71.01382	6.4
71.54951	0.6
72.99307	61.0
73.02936	1.6
73.99644	0.8
83.01389	0.8
85.02948	1.4
87.00878	3.0
89.02441	6.4
91.08543	0.5
97.02947	0.7
99.00883	4.9
100.04572	0.5
101.02416	1.8
103.00385	0.8
111.00839	0.6
111.11121	0.6
113.02482	0.9
115.00378	1.8
115.39149	0.6
117.01942	41.7
118.02304	1.1
119.05038	1.1
120.79952	0.5
121.02956	100.0
122.03312	4.5
127.00385	2.5
129.01965	1.5
139.58487	0.6
142.99905	0.7
169.38799	0.5
173.00926	13.2
185.00926	1.7
228.27980	0.6
231.17287	0.5
239.05618	25.9
240.05922	1.6
295.04657	1.6
303.03354	0.9
311.09027	0.8
335.06171	0.7
341.53305	0.6
425.07278	1.0
457.12152	0.6
457.20996	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2922
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12994	0.7
52.70730	0.7
59.01376	0.9
61.98830	100.0
67.02695	0.6
67.76540	0.7
71.55238	0.6
71.55701	1.0
73.74245	0.7
147.78799	0.8
150.25829	0.8
165.90291	0.8
175.51588	0.7
196.22519	0.8
199.63924	0.7
199.93198	0.8
206.51279	0.7
232.86380	0.7
266.77350	0.7
368.74750	0.7
415.07434	0.8
455.27530	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55354	0.9
55.01872	1.7
57.03446	1.8
58.00584	1.3
59.01380	100.0
61.98824	1.8
64.62543	0.9
68.99838	0.9
69.03454	2.4
69.44209	2.3
69.44614	5.7
71.01381	40.1
72.99307	3.0
73.02944	44.7
83.01380	14.4
85.02945	8.5
87.00867	4.9
89.02442	12.5
95.01391	1.8
96.96014	3.2
97.02937	1.2
99.00890	3.1
101.02443	42.0
113.02446	12.1
119.03468	5.0
119.05036	2.3
125.02415	2.5
127.07693	1.3
131.03476	3.4
139.00383	1.2
139.73904	0.9
143.03484	2.3
147.04532	2.0
149.04541	1.7
157.01537	1.0
161.04594	7.2
175.02554	1.7
179.05502	0.9
233.15440	44.5
234.15790	4.0
250.15509	1.1
251.10698	1.3
251.16534	15.2
252.16879	1.1
295.09952	1.2
297.10223	1.7
307.17542	1.2
395.20764	14.5
396.21002	1.8
413.21707	22.8
414.22052	3.9
455.22791	83.6
456.23151	11.0
468.11130	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.353
Annotation	Oleanolic acid
Peak:m/z	Relative Intensity
59.01367	0.1
69.23132	0.5
69.23553	0.8
93.38786	0.2
111.10565	0.1
164.05438	0.2
373.25497	0.2
389.29050	0.2
405.31146	0.2
407.33142	1.4
408.33270	0.3
439.31976	0.2
455.35294	100.0
456.35645	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	453.3375
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73835	0.6
59.01371	0.8
61.98831	1.6
71.54881	0.7
72.01865	0.6
81.22183	0.8
113.06077	1.0
116.61679	0.6
120.46378	0.6
201.42490	0.7
218.21095	0.7
272.79022	0.7
336.70499	0.7
453.33740	100.0
454.28107	1.3
454.34113	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	453.3372
Annotation	Betulonic acid
Peak:m/z	Relative Intensity
50.57697	0.4
59.01360	0.5
61.98807	0.5
67.91969	0.4
69.72333	0.9
69.72746	1.5
76.54820	0.4
97.06616	0.5
104.89209	0.4
119.04610	0.4
128.76740	0.4
129.08821	0.4
140.38527	0.4
188.73866	0.4
279.23294	2.4
361.82419	0.4
375.26733	0.5
407.33270	2.4
453.33746	100.0
454.34061	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	454.2924
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	2.7
61.98830	100.0
66.35213	0.8
70.10004	3.3
71.01373	1.2
114.20328	0.8
145.90671	0.8
156.97491	0.7
234.02753	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.2165
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30964	0.9
55.01867	1.3
55.58630	0.8
57.03453	0.9
57.04111	1.0
59.01379	37.9
60.01686	1.0
61.96903	0.9
61.98830	100.0
63.99244	1.8
69.03452	1.6
69.29427	8.8
71.01384	10.0
72.99299	2.6
73.02949	4.1
83.01402	3.8
85.02946	14.9
87.00887	2.5
88.10658	1.0
89.02441	5.4
95.01418	1.1
96.96009	12.7
97.02967	2.1
98.19838	1.7
99.00882	1.6
101.02430	9.4
103.34840	1.1
103.97047	1.0
111.00890	1.5
113.02420	4.6
129.26408	0.9
135.02975	1.2
135.72307	1.0
136.07713	1.5
137.02432	1.4
143.70436	0.9
159.21078	1.0
161.04610	1.0
165.01868	4.4
179.03442	1.8
180.04312	2.1
187.09766	0.9
195.06641	3.7
203.01807	1.0
225.07703	3.6
321.15677	3.0
349.18686	5.3
417.21631	2.5
435.22153	1.5
453.10507	5.9
453.23483	37.6
454.23904	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	453.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.9
57.03445	0.8
59.01380	100.0
60.01723	1.4
61.98831	20.5
62.56682	0.5
71.01383	12.7
71.54468	0.5
72.99301	1.2
73.02950	3.6
75.00864	0.6
78.91913	0.8
80.22740	0.7
83.01412	1.9
83.42296	0.6
85.02940	5.1
87.00888	2.1
88.38404	0.7
89.02442	6.8
89.39525	0.6
95.01398	0.7
96.96021	4.2
97.02927	0.6
98.95611	0.7
99.00893	1.6
101.02444	9.8
113.02430	5.7
115.00343	0.7
119.03555	2.6
125.02438	1.7
135.03058	0.8
138.05705	0.8
143.03535	0.8
149.02489	0.7
150.03276	0.8
159.03036	1.3
161.04546	8.9
161.72560	0.6
175.02542	0.6
179.05638	1.1
184.81868	0.7
195.06696	0.7
239.05807	0.6
244.16592	0.8
393.17651	5.8
453.15649	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
55.69492	0.5
57.03438	1.1
59.01378	74.9
60.01703	1.2
61.98828	3.9
67.01891	0.7
69.03446	4.3
71.01003	1.0
71.01377	10.9
72.99308	6.2
73.02946	8.3
81.03458	3.5
83.01396	3.8
83.05025	2.8
85.02926	3.0
87.00883	6.5
89.02457	4.1
93.03443	1.4
95.01367	0.9
97.02958	1.5
99.00874	1.7
101.02437	7.6
101.06113	0.8
109.02969	1.8
109.06587	15.6
111.00861	2.8
111.04503	0.8
112.05310	2.1
113.02451	5.3
119.03513	1.4
119.05013	0.8
121.06595	100.0
122.06973	3.7
125.02447	1.4
127.00397	1.2
127.07660	16.6
128.07954	0.6
129.01878	0.7
130.68315	0.6
131.03587	0.7
135.04521	0.6
135.08150	1.4
137.02437	1.0
139.00357	1.1
139.07657	0.9
141.01868	1.1
143.03491	1.0
147.04532	4.5
157.01373	1.4
161.04620	3.2
165.05586	4.6
172.59532	0.6
175.07684	1.3
176.08388	0.7
177.09189	2.8
185.00815	0.8
189.12775	0.8
231.13918	1.1
246.12607	1.5
249.11308	0.7
249.14914	3.7
257.11792	1.1
261.14886	1.3
272.10623	2.9
273.14746	0.9
275.12888	1.4
284.10291	1.4
287.12888	4.4
291.15973	0.7
299.12946	2.3
302.70697	0.6
319.15414	2.8
321.13324	0.7
331.15546	2.4
335.14996	3.6
339.76831	0.6
379.13980	7.2
380.14038	0.7
393.15079	1.2
394.15692	0.7
411.16296	7.0
453.17764	1.7
478.48157	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.213
Annotation	Hypoloside A
Peak:m/z	Relative Intensity
55.01881	2.0
57.02302	0.6
57.03439	1.3
58.00595	0.6
59.01380	52.9
60.19857	0.6
61.58182	0.5
61.98845	0.6
65.03962	0.6
67.01913	0.5
68.73295	0.5
68.99818	2.3
69.03452	1.3
69.32510	5.1
71.01381	29.7
72.02148	0.6
72.99310	6.1
73.02948	39.6
74.03268	0.7
75.00866	0.9
83.01388	13.4
85.02954	4.1
87.00882	7.7
89.02443	4.5
95.01395	1.5
96.99326	1.8
97.02955	1.1
97.54007	0.5
98.20588	1.1
98.89738	0.6
99.00877	2.6
99.63420	0.5
101.02443	29.8
105.01924	1.1
111.00868	5.1
113.02454	7.6
115.00369	2.4
115.05555	1.6
117.03413	1.1
119.03505	1.2
124.44173	0.5
125.02438	0.7
127.00347	2.9
129.01965	1.0
131.03491	1.9
139.00374	13.9
142.99802	0.6
143.03511	2.6
145.01402	0.7
147.04527	8.9
148.04802	0.8
149.04553	2.4
155.03545	1.1
157.01428	19.3
161.04536	4.7
175.02472	5.0
187.14966	2.5
187.42050	0.5
191.05325	1.7
203.05692	0.7
203.14432	1.0
205.10222	2.1
207.11786	3.5
221.06656	0.6
231.13889	100.0
232.14265	9.4
233.09653	4.4
235.06227	1.3
249.14812	0.7
251.10710	6.9
252.11038	0.9
277.08600	1.4
295.09747	41.7
296.10123	4.3
300.27289	0.6
364.50012	0.6
393.18967	0.9
411.20300	2.0
422.04767	0.6
453.21259	21.1
454.21506	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1039
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	3.0
56.68347	0.8
59.01363	2.6
63.51293	0.9
67.81333	0.8
70.68518	0.8
71.01379	36.8
72.99307	15.0
83.01385	21.4
83.58523	0.8
87.00874	57.3
98.00092	1.6
99.00886	14.8
101.02441	0.8
103.05531	5.7
113.02420	1.0
115.00398	4.3
119.05030	1.0
126.99477	1.3
127.00375	17.1
129.01967	1.5
142.99863	13.0
147.04523	100.0
148.04887	6.4
219.25073	0.9
235.06113	37.3
236.06438	2.6
253.59213	1.1
273.02368	1.6
453.10501	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1039
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10080	0.5
55.01873	2.4
59.01384	0.8
64.65148	0.6
71.01380	20.8
71.32409	0.7
72.99308	9.4
83.01382	9.4
85.02975	0.7
87.00878	32.8
88.01207	0.7
98.00118	0.5
99.00879	8.4
101.02442	0.9
103.05507	3.7
115.00367	2.2
119.05016	1.0
127.00381	7.2
142.99873	8.3
145.56970	0.5
147.04523	100.0
148.04855	4.4
157.01472	0.6
164.80283	0.5
193.95976	0.6
235.06117	38.5
236.06512	2.8
252.96907	0.5
273.02405	0.7
290.94379	0.5
295.09814	0.8
313.13840	0.6
453.21448	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1037
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01108	1.4
59.01378	20.8
61.98810	1.2
69.20330	9.3
71.01381	10.6
72.99310	82.9
73.99652	1.2
85.02956	0.9
87.00877	2.1
89.02443	7.8
90.64047	0.9
98.20600	2.1
99.00877	4.4
103.05532	4.8
111.00869	1.1
113.02409	0.9
114.55482	0.9
117.01940	64.4
118.02272	1.2
119.05048	1.3
127.00349	3.5
144.07753	1.1
147.04523	100.0
148.04860	5.9
173.00905	13.5
185.00957	1.4
265.07178	15.3
266.07425	1.5
274.91733	1.2
305.05273	1.3
321.06210	2.6
355.65472	1.0
453.10571	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1191
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46507	0.4
53.71692	0.4
55.01877	2.7
57.03447	4.8
59.01377	13.5
61.98837	0.7
65.03957	2.8
67.01895	0.9
68.99813	6.0
71.01379	14.1
71.01777	0.7
72.99306	6.7
73.02947	7.4
80.98334	0.4
83.01382	10.3
85.02945	7.3
87.00873	12.5
89.02445	1.3
95.01395	1.4
96.99313	1.4
99.00880	3.4
101.02436	5.1
103.05544	0.9
105.01949	1.0
111.00877	19.7
113.02435	4.6
113.33105	0.4
115.00372	4.5
115.05535	1.4
118.60850	0.4
126.99488	0.6
127.00367	7.6
129.01939	2.6
139.00369	48.8
140.00711	1.4
142.99873	0.7
147.04510	12.7
157.01413	67.6
158.01704	2.3
165.01927	0.7
175.02473	5.5
191.05289	1.0
191.08713	0.8
205.10185	4.8
206.10558	0.5
207.11780	8.3
208.12178	0.9
229.41618	0.5
231.13950	1.1
233.09697	3.7
233.15410	1.3
235.06094	1.1
249.14993	2.9
251.10753	22.7
252.11095	1.9
277.08640	2.3
295.09729	100.0
296.10065	9.7
335.18658	1.1
393.19208	2.7
411.20181	5.8
412.20523	0.6
453.11847	1.0
453.21088	12.1
454.21762	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2782
Annotation	Unknow
Peak:m/z	Relative Intensity
60.27993	0.1
61.98829	0.2
62.96407	0.2
70.40428	0.5
78.95905	21.2
86.00990	0.1
96.96984	0.3
104.97482	0.3
112.23003	0.1
122.00155	1.0
132.91873	0.1
134.98557	0.2
140.01193	5.5
142.48502	0.1
152.99617	1.8
158.75842	0.1
166.02695	0.2
171.00642	0.3
188.35570	0.1
196.03796	9.6
197.04181	0.3
214.04904	1.9
237.22231	0.2
255.23296	100.0
256.23633	10.1
307.19611	0.2
391.22733	0.2
452.27820	23.3
453.28137	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2782
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01364	0.8
61.98822	1.6
69.42518	2.1
69.42924	1.9
78.95898	7.0
84.57856	0.5
112.45696	0.6
116.42498	0.5
140.01184	0.8
152.99652	1.0
159.53700	0.6
160.33650	0.7
171.00630	1.0
195.60178	0.6
196.03920	0.8
214.04900	3.0
225.32944	0.6
255.23289	100.0
256.23627	8.7
317.92636	0.6
393.19519	2.0
452.27689	11.4
453.28253	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1038
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43200	0.9
52.74190	0.9
52.87941	0.8
55.01871	1.4
55.02119	0.8
59.01380	30.9
61.98831	14.4
69.03449	4.0
69.56290	6.0
71.01379	13.0
72.26289	0.8
72.37943	0.9
72.99310	74.5
73.02953	2.5
81.12969	1.0
83.01389	3.2
84.75645	0.9
85.02934	2.9
87.00876	8.3
89.02458	7.0
96.14061	0.8
97.02969	1.6
99.00871	6.5
101.02415	3.9
103.05529	2.9
111.00892	4.8
113.02452	3.7
117.01947	37.4
119.05027	1.4
124.07530	1.1
127.00352	4.2
129.01944	1.1
141.01990	2.3
147.04521	100.0
148.04843	4.2
153.01979	1.1
154.99889	1.0
157.01433	1.1
161.04544	1.5
161.06059	1.2
165.05527	1.2
173.00894	7.1
175.02464	1.5
177.45103	1.1
185.00963	2.2
231.13809	2.1
245.78163	1.3
249.14973	1.5
265.07239	16.3
277.44543	1.0
295.09726	3.2
321.06201	1.2
335.18640	1.1
411.20065	1.9
435.09445	1.8
453.10428	1.6
453.21072	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	453.104
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40508	1.2
55.01882	5.6
55.72453	1.1
59.01365	4.1
59.37756	1.3
69.03423	1.1
69.93110	1.1
71.00723	3.0
71.01380	60.1
72.99310	19.7
83.01386	40.0
85.02943	1.8
87.00877	88.8
99.00879	26.8
103.05523	6.7
115.00350	5.1
127.00380	29.2
129.01945	1.7
142.99866	20.2
147.04521	100.0
148.04839	4.8
175.02510	1.2
226.15071	1.3
235.06122	31.7
273.02554	4.0
295.09711	2.2
305.05112	2.0
440.57120	1.3
453.10788	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	452.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.6
59.01380	12.1
60.01722	0.8
61.98831	100.0
68.75671	0.4
69.03458	0.6
71.01371	3.4
71.54996	0.6
72.99293	0.7
73.02955	0.8
74.43693	0.4
78.95918	0.4
83.01426	0.5
85.02946	4.2
87.00904	0.6
89.02454	1.5
96.96016	2.4
97.24566	0.4
99.00883	0.8
101.02431	3.0
109.02950	0.6
111.00893	0.5
113.02474	1.5
119.05003	0.6
125.02473	0.5
134.85440	0.5
137.02443	0.9
159.03098	0.4
161.04614	0.8
163.04147	0.5
165.01938	4.1
179.03502	0.6
180.04300	2.6
195.06631	3.2
210.05388	0.6
225.07750	2.7
327.96417	0.4
333.15436	0.8
334.15829	1.1
349.18741	1.2
452.18216	0.8
453.10706	1.5
453.17297	0.7
453.23499	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	452.2137
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22570	0.7
54.27525	0.7
54.85962	0.6
56.28770	0.6
59.01368	4.0
61.98829	100.0
69.03456	3.3
69.58221	4.5
71.01397	0.7
71.34989	0.6
88.55014	0.7
89.74204	0.7
96.96046	1.4
97.02962	0.8
99.00887	1.1
137.02429	0.9
165.01924	5.0
178.68501	0.6
179.03572	1.8
180.04343	3.0
185.00945	2.4
195.06615	3.9
225.07730	4.2
227.09331	0.9
298.46201	0.7
335.17188	0.9
405.15698	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2137
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04536	0.5
55.01852	0.6
59.01383	9.9
60.01692	1.1
61.98831	100.0
69.03450	1.5
70.59438	0.7
70.59771	1.5
71.01367	4.2
72.99309	1.3
73.02951	1.0
83.01394	1.7
85.02965	1.3
87.00882	2.1
89.02450	1.6
93.84647	0.6
97.03001	0.8
99.00880	1.1
101.02460	2.8
106.17596	0.7
111.00878	4.1
113.02447	1.0
119.05035	1.2
127.00362	1.0
127.19836	0.6
129.02000	0.8
141.01939	0.8
147.04512	7.9
148.55109	0.6
153.01920	3.4
154.02333	1.7
157.66716	0.6
161.04599	1.7
173.48682	0.6
185.00989	1.7
256.30072	0.7
297.97833	0.6
315.07513	0.8
316.07449	1.3
387.95624	0.7
392.23535	2.3
435.09445	1.0
452.25845	2.0
455.78003	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
57.74685	4.1
59.01113	6.9
59.01380	100.0
60.44095	4.3
61.98837	37.5
69.03477	7.7
71.01384	35.0
71.94785	5.0
72.99288	4.4
73.02953	11.9
75.00850	7.0
83.01386	9.1
85.02943	12.4
87.00867	4.6
89.02466	8.6
95.47042	4.3
97.69658	4.0
101.02440	25.6
113.02458	11.5
117.91265	4.4
119.05027	16.6
121.77979	4.9
161.04544	11.5
163.03995	13.0
310.03815	4.6
347.16983	19.9
365.18234	63.2
391.22971	13.7
407.19180	53.0
408.19510	7.7
451.25449	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	451.3178
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55886	1.1
54.86518	1.3
55.77332	1.2
59.01380	100.0
61.98835	5.0
71.55475	2.2
80.58397	1.3
81.03455	3.2
83.05025	14.9
126.63214	1.4
175.57109	1.4
239.72418	1.3
268.45850	1.4
344.49167	1.8
352.74176	1.4
391.29672	37.6
392.29947	5.1
451.15588	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.1409
Annotation	Unknow
Peak:m/z	Relative Intensity
56.36626	0.6
59.01385	3.8
61.98832	100.0
69.41563	4.5
71.01402	1.7
72.99316	1.1
73.02970	0.7
75.00873	0.8
76.98752	0.6
83.01406	1.0
87.00869	0.7
89.02441	1.4
97.02960	1.1
98.20526	1.0
98.68834	0.6
99.00882	1.0
101.02463	1.3
107.01421	0.8
111.00854	0.7
113.02465	0.7
114.89093	0.6
121.02953	4.0
122.03271	1.6
123.04501	0.8
125.02486	1.1
135.03040	0.7
151.00385	2.9
152.00723	1.5
165.01958	1.8
170.67001	0.6
171.89084	0.6
175.00357	1.0
178.78229	0.6
181.05054	1.3
195.06735	1.1
287.04086	0.8
289.07437	0.9
290.07523	1.4
318.11826	0.7
452.22388	1.0
453.15686	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.177
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	4.1
57.03447	3.6
59.01378	49.1
61.98829	100.0
68.99831	3.3
69.03463	5.4
71.01380	47.9
71.55798	1.5
71.56262	3.0
72.99316	16.3
73.02952	9.8
75.00861	2.1
83.01388	15.2
85.01263	1.5
85.02947	13.3
87.00876	37.7
87.01373	2.4
89.02448	9.8
95.01369	3.0
97.02950	3.1
99.00876	12.0
101.02448	13.4
111.00885	6.7
111.03790	1.6
113.02446	15.0
115.00383	6.0
119.03532	2.7
119.05003	1.6
125.02386	1.7
127.00374	12.2
129.01985	2.2
131.03545	1.6
139.00360	8.7
141.01993	1.6
142.99879	9.0
143.03445	2.1
143.48441	1.5
147.04524	67.1
148.04865	3.0
157.01401	9.7
159.03009	3.0
160.04053	1.6
161.04610	3.2
162.05627	4.6
165.12862	4.3
175.02486	6.7
183.13908	10.2
185.00859	2.4
205.10263	1.7
207.11769	3.3
227.12901	23.0
228.09064	2.2
230.12856	1.8
231.13908	7.8
233.09618	2.5
235.06064	17.4
241.06163	2.2
249.14977	12.3
251.10757	7.2
254.06938	1.7
255.07758	3.5
256.08575	20.7
269.09671	1.7
283.10782	5.9
284.11575	3.6
285.12463	51.5
286.12820	4.4
295.09735	24.3
365.18668	1.8
380.15848	3.6
389.18137	2.0
393.19214	34.6
408.19269	14.7
409.19504	2.7
411.20209	18.0
434.17212	6.5
452.18228	45.5
452.24521	2.3
453.21582	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	451.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.6
57.03436	3.0
59.01374	12.4
61.98833	8.9
69.03445	1.6
69.94710	3.7
71.01371	6.1
72.99300	2.2
73.02934	2.0
75.00877	4.2
75.62997	0.7
81.03452	3.2
81.07101	0.9
83.01369	4.0
85.02932	2.7
85.03416	0.8
87.00868	2.0
89.02407	4.2
93.03456	2.0
95.01389	1.0
95.05028	3.9
96.96011	4.4
97.02934	4.9
98.20664	1.1
99.00844	1.8
101.02415	4.0
107.05009	1.3
108.02164	1.4
109.02944	17.8
110.97798	0.9
111.00874	1.3
113.02420	3.0
115.03955	0.9
119.03523	1.3
119.05015	2.2
121.02953	13.4
123.00846	1.3
123.04514	14.4
125.02442	17.1
127.07634	1.8
135.02994	10.9
135.04498	4.5
137.01457	1.3
137.02446	19.0
137.74400	0.7
139.00386	1.8
139.03989	2.7
141.01910	1.0
145.02890	1.3
147.04373	1.0
149.02452	4.7
150.03218	0.9
151.04022	10.1
153.01915	1.8
159.04488	2.0
161.02383	4.8
161.04637	1.4
161.06062	4.5
162.03160	0.9
163.03978	2.9
164.01144	2.3
165.01930	9.0
166.99809	2.5
167.03531	4.4
175.03917	1.8
175.07600	1.7
179.03500	5.6
181.05014	6.0
185.06000	1.1
187.03946	3.5
188.04736	2.5
189.01884	1.8
202.06320	1.3
203.07118	10.7
204.07420	1.3
205.05038	7.6
206.05276	0.8
211.02284	1.4
221.08194	1.6
227.07106	2.0
231.02914	0.8
245.08179	15.5
271.10907	2.0
287.03964	2.4
289.07150	100.0
290.07523	7.7
297.08755	2.2
313.07303	1.8
315.09845	1.1
405.21664	0.9
417.24298	1.0
451.13113	7.1
451.21701	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	451.1243
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49495	0.9
52.41031	1.1
55.01885	0.9
57.03444	3.9
59.01377	29.1
61.98818	6.6
69.03458	2.4
69.33587	9.0
71.01388	13.0
71.07358	0.9
72.99300	4.2
73.02950	4.7
75.00839	2.1
78.95954	1.0
81.03453	4.2
83.01383	7.4
85.02940	5.1
87.00873	3.3
89.02444	8.5
93.03458	3.3
94.40405	0.9
95.01396	1.6
95.05041	3.8
96.96006	7.3
97.02954	10.3
98.20664	2.2
99.00892	2.3
101.02441	9.1
101.37296	1.0
107.05064	1.2
109.02951	30.6
111.00868	1.3
113.02448	4.8
119.03518	2.4
119.05006	3.1
121.02952	8.3
122.03759	1.6
123.04509	23.0
123.05369	1.7
125.02446	23.2
133.02946	1.3
135.03009	2.4
135.04521	4.1
137.02446	43.6
138.03204	1.4
138.05586	1.2
139.04007	6.2
139.05052	1.2
145.02916	2.2
145.05139	1.4
147.04475	1.6
148.04054	1.3
149.02419	7.2
149.04477	1.1
150.03209	2.9
151.00420	1.7
151.04001	20.8
159.04489	4.6
160.05324	2.3
161.02432	3.8
161.04614	2.5
161.06081	9.3
162.03204	2.9
163.04024	4.1
164.01167	6.2
165.01930	13.2
165.05579	1.3
167.03508	4.3
175.04007	3.4
175.07539	2.2
179.03471	7.8
179.05649	1.5
181.05014	4.5
182.01680	0.9
185.06061	1.4
187.04008	8.0
188.04788	4.5
189.05348	1.4
193.07695	1.1
201.05614	1.7
202.06384	3.4
203.07140	20.7
204.07465	1.5
205.05048	14.9
206.05386	1.3
221.08205	6.8
227.03458	1.6
227.07159	4.0
228.10158	1.4
229.05064	1.2
230.05826	1.6
231.45956	1.1
245.08160	35.9
246.08476	3.1
247.06104	2.5
271.06070	3.0
271.10934	3.7
271.15527	1.5
285.03732	1.6
287.04446	1.0
289.07166	100.0
290.07489	8.1
297.08926	2.7
303.99808	1.1
315.09888	2.1
319.13818	2.4
320.93118	1.1
331.09125	1.5
333.15631	2.3
333.19247	1.6
409.17450	1.8
451.12497	59.5
451.21655	9.5
452.12656	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	451.1244
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70117	0.5
57.03445	3.1
59.01378	10.6
60.21120	0.6
61.32054	0.5
61.98830	19.8
69.03439	1.5
71.01381	5.8
71.54655	0.6
71.55051	0.6
72.99310	2.7
73.02917	1.1
73.64521	0.6
74.99092	0.7
75.00872	1.5
80.56085	0.6
81.03457	2.5
83.01389	4.3
83.05016	0.7
85.02946	2.9
85.97360	0.5
87.00864	1.7
89.02446	4.6
93.03453	1.9
95.01395	1.4
95.05013	2.9
96.95999	1.6
97.02955	6.1
99.00868	1.6
99.04535	1.3
101.02469	3.4
107.05021	1.1
108.02164	0.9
109.02948	20.2
109.06582	0.7
110.03274	0.8
111.00877	2.4
113.02447	2.5
115.66842	0.5
117.01922	0.6
119.03498	1.7
119.05019	1.2
121.02951	17.2
122.03747	0.7
123.04526	13.3
124.04903	0.5
125.02451	18.0
127.00388	1.3
127.07693	0.9
128.94691	0.6
129.01984	0.8
135.02982	3.3
135.04530	2.5
137.02443	16.8
138.05626	0.6
139.00365	1.3
139.04025	3.0
141.01918	0.6
145.02943	1.6
146.03702	1.2
149.02426	6.8
150.03226	2.8
151.00346	2.1
151.03992	8.4
153.01814	0.8
153.05667	0.8
159.04491	2.0
160.04030	1.1
160.05293	1.4
161.02426	3.3
161.04695	0.9
161.06058	4.9
162.03181	1.6
163.04013	2.1
164.01157	2.5
165.01900	5.1
165.05580	1.4
166.99860	2.2
167.03464	2.7
169.01355	0.6
173.06093	0.6
175.00323	0.6
175.03987	2.2
175.07597	0.9
177.01996	0.6
179.02106	0.6
179.03520	6.3
181.04994	4.4
184.99129	0.7
185.05963	1.0
187.03955	4.6
188.04817	3.6
201.05553	0.7
202.06352	1.9
203.03522	1.0
203.07129	11.8
205.05046	7.2
206.08205	0.7
209.04568	1.9
211.02458	0.9
221.08092	2.0
223.02443	0.5
227.07152	1.6
231.02893	0.7
239.01947	0.6
239.05457	1.0
245.08180	15.4
245.10687	1.0
246.08545	1.4
247.06038	0.9
269.02859	0.8
271.06018	1.5
287.04120	2.3
289.07169	100.0
290.07501	8.9
297.08707	0.8
313.07156	1.7
333.11966	0.8
358.14996	0.5
361.14169	1.3
451.10269	3.0
451.12106	3.3
451.18231	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.198
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25552	0.3
55.14290	0.3
59.01378	11.5
60.01709	0.8
61.98830	100.0
69.03448	0.3
69.53719	2.1
71.01379	3.2
73.02953	0.7
83.01395	0.5
85.02962	1.0
89.02450	2.9
99.00901	0.5
101.02442	2.0
111.00896	0.4
113.02451	0.8
119.03498	0.6
119.05045	0.5
125.02456	0.6
131.03525	0.4
149.04596	0.7
157.08688	2.8
161.04555	0.8
168.72731	0.4
213.00101	0.4
284.43011	0.4
284.99478	0.3
390.22131	1.9
391.23245	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.0883
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08712	1.1
55.01868	4.6
57.03444	3.9
58.11554	1.1
59.01379	36.5
60.74022	1.5
61.98831	100.0
65.00318	11.8
67.01886	1.6
68.99810	3.1
69.03453	6.1
69.86256	3.2
69.86676	4.1
71.01383	19.1
72.55795	1.3
72.99301	5.8
73.02945	4.8
74.99124	1.5
75.00861	6.9
78.04017	1.3
81.03452	5.1
83.01397	14.5
83.05046	1.6
85.02940	8.1
87.00883	6.9
89.02451	12.8
93.03443	5.7
95.01395	3.6
95.05001	1.7
96.96015	9.4
97.02934	8.1
98.19952	1.8
99.00874	7.5
99.04502	1.9
101.02448	10.1
107.01397	19.0
107.05035	1.8
108.02200	1.9
109.02959	15.4
111.00883	12.8
111.04521	2.8
113.02452	9.3
115.00383	1.3
115.03959	1.3
117.01927	1.4
119.03477	4.3
119.05023	8.1
121.02962	99.3
122.03293	4.8
123.00899	2.8
123.04520	11.2
124.01638	1.2
125.02452	19.5
127.00375	5.7
127.03997	2.3
127.07648	3.5
129.01915	2.1
130.08820	1.2
131.01411	7.0
135.03008	8.3
135.04533	5.5
136.99103	1.4
137.02457	14.0
138.05553	2.0
139.00381	8.7
139.03989	3.7
141.01950	4.7
148.04050	2.1
149.02428	3.9
150.03221	2.9
151.00377	74.2
151.03995	7.1
152.00735	1.7
153.01953	7.6
154.99870	2.9
157.01439	3.4
157.73524	1.3
159.04454	1.5
161.02385	3.8
161.06088	2.3
162.03217	1.9
163.03966	3.3
164.01152	2.4
165.01941	9.1
165.05550	2.7
166.99878	13.6
167.03447	4.4
169.01393	5.4
175.00378	27.4
176.98291	1.6
177.01970	1.6
179.03508	4.2
179.05637	1.6
181.01443	4.1
181.05072	33.0
182.05380	1.5
183.02985	2.3
187.03917	1.7
193.01430	3.7
201.05678	2.2
203.07132	6.8
205.01439	2.3
205.05022	3.7
211.02423	6.3
221.08133	1.5
227.07076	2.0
228.10371	1.5
231.03209	1.6
239.02083	2.0
241.05411	1.5
245.04584	2.7
245.08144	10.7
251.01599	1.4
256.07571	1.6
269.02960	4.2
271.10822	4.9
285.07693	1.8
287.04141	15.5
289.03943	4.1
289.07126	48.2
290.07480	5.5
297.08679	2.9
299.95523	1.4
313.05560	6.4
315.09763	3.4
331.06693	2.9
353.86349	1.2
451.08069	15.8
451.21945	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	450.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25683	0.3
59.01379	9.4
60.01727	0.5
61.98831	100.0
65.72746	0.3
69.54271	2.1
71.01378	2.5
73.02952	0.4
83.01412	0.3
85.02967	0.8
89.02435	1.9
99.00879	0.5
101.02432	1.7
113.02435	0.9
114.02738	0.3
119.03546	0.5
125.02440	0.6
131.03532	0.3
136.07751	0.3
149.04541	0.3
157.08693	2.2
161.04564	0.8
293.08810	0.5
333.15579	0.4
353.08231	0.3
360.16559	0.4
390.22110	1.7
391.23309	0.7
450.11325	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.198
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60222	0.7
55.01841	0.8
57.61506	0.6
57.97461	0.6
59.01380	25.5
60.01699	1.8
61.98831	100.0
69.19118	8.0
69.19481	0.9
71.01385	6.7
73.02947	2.2
83.01379	0.9
85.02961	2.4
86.03258	0.9
89.02461	1.2
101.02441	8.8
102.02798	1.8
113.02470	3.3
114.02772	1.2
120.12598	0.7
138.05592	1.4
157.89964	0.9
160.15164	0.9
161.04526	3.9
162.04955	1.0
190.45052	0.8
257.01355	0.7
269.04947	0.7
317.02362	1.2
389.21960	1.8
390.22098	10.3
391.22998	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	2.5
57.03439	1.9
59.01381	100.0
60.01714	1.6
61.98825	6.8
69.37919	5.6
69.38340	5.0
69.83543	1.2
71.01379	26.1
71.41556	1.2
73.02943	12.4
76.12638	1.1
83.01387	7.7
85.02946	18.0
85.64035	1.1
87.00869	1.9
88.53867	1.7
89.02422	4.5
95.01425	1.1
99.00864	5.5
99.77772	1.1
101.02444	46.4
113.02439	15.0
134.92142	1.2
143.03398	2.2
159.02963	3.3
161.04552	23.7
162.04825	1.4
227.16443	1.4
264.46683	1.3
287.18509	1.6
353.28439	1.3
389.21805	59.2
390.22281	7.6
401.41553	1.3
449.23990	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	449.2756
Annotation	Eurystatin D
Peak:m/z	Relative Intensity
52.43377	0.4
55.01869	1.8
57.03436	0.9
58.00576	0.6
59.01378	22.7
60.01720	0.7
61.98815	1.7
68.99828	1.4
69.03439	1.8
71.01384	15.4
71.31834	0.6
71.32175	0.7
72.36185	0.4
72.99316	1.7
73.02939	2.7
81.03446	0.9
81.43033	0.5
83.01391	3.8
85.02949	5.5
86.00091	0.6
87.00878	3.4
89.02440	5.1
93.03446	1.7
95.01379	1.9
96.99344	0.6
97.02930	1.3
99.00912	3.7
101.02437	7.8
102.02787	0.8
103.05553	1.0
107.01382	0.6
109.02972	4.2
111.00890	3.5
113.02456	4.5
113.09676	0.6
121.02937	1.1
123.00904	1.7
124.01695	1.0
124.07681	5.1
125.02486	3.2
126.53697	0.4
127.00362	1.5
127.03989	0.7
127.11226	1.4
129.01939	0.7
131.03519	1.2
135.00841	3.0
136.01637	0.7
137.02449	4.0
139.00409	2.7
139.03949	0.6
141.01927	1.5
143.10721	0.6
147.04526	16.1
148.04817	1.1
149.02432	0.6
151.00397	2.4
153.01920	2.1
154.64256	0.5
162.05582	0.9
163.06354	0.8
165.01927	10.3
169.01427	2.3
178.05124	0.7
181.01428	1.2
183.03004	7.1
193.01396	0.7
211.02501	8.7
212.02768	0.6
239.20273	0.7
243.14940	0.6
269.21213	4.0
285.20950	0.8
287.14001	12.3
287.22275	37.8
288.14267	1.3
288.22736	3.5
301.15683	0.8
305.06845	0.5
329.15042	2.6
329.23257	0.6
426.60648	0.5
429.30002	0.5
431.26608	1.3
449.09454	1.8
449.27542	100.0
450.27933	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	449.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
60.01711	1.3
61.93480	0.5
61.98824	1.1
69.72104	0.5
69.73788	1.9
69.74200	0.9
71.01401	1.6
74.99111	0.6
85.02930	0.5
85.13609	0.5
89.02473	1.2
101.02444	1.2
113.02435	0.8
125.02442	0.9
135.03159	0.5
136.99158	0.8
137.02451	3.6
138.03320	0.6
141.01953	2.7
143.89859	0.5
152.04810	2.0
153.05539	4.6
161.04642	0.6
172.20889	0.5
179.05676	0.9
191.22461	0.5
197.04565	0.7
207.28885	0.5
212.06895	5.8
212.26556	0.5
214.49715	0.5
221.72554	0.5
227.09264	16.3
227.11531	0.8
228.09726	1.2
244.36075	0.5
449.23853	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60641	0.9
57.03444	4.1
58.00574	1.9
59.01379	92.9
61.98822	3.8
71.01379	19.1
72.99317	1.9
73.02958	1.0
83.01379	1.1
85.02952	4.0
89.02444	17.2
95.01369	1.2
95.24092	0.9
99.04507	7.5
101.02441	9.0
109.52137	0.9
113.02450	6.1
119.03492	7.0
120.92184	0.9
135.04527	2.0
135.12175	0.8
151.00407	1.4
161.04500	2.2
165.12827	3.7
179.05531	1.5
207.13895	10.3
209.11821	26.4
210.12216	1.2
225.14975	12.3
227.12930	1.3
251.12863	5.4
269.13919	100.0
270.14258	11.6
272.80719	0.9
287.05582	2.4
287.14966	1.2
389.21811	2.3
449.20239	82.3
450.20514	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	449.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	0.8
58.00600	0.5
59.01380	100.0
60.01727	1.0
61.98826	3.9
65.03917	0.4
70.15579	1.8
71.01382	12.7
72.99320	1.6
73.02953	2.3
75.00892	0.9
83.01402	1.3
83.05023	0.7
85.02946	4.4
87.00887	0.8
89.02444	9.7
95.01377	0.9
99.00900	0.5
101.02450	7.2
105.01959	0.5
109.06600	0.5
111.00900	0.6
113.02463	5.5
119.03519	4.0
125.02482	1.8
127.00262	0.5
127.07644	0.5
131.03545	0.6
135.02986	1.1
135.04489	1.0
139.07648	0.7
143.03546	1.3
151.00359	1.1
153.09227	0.7
155.10812	1.1
159.03015	1.0
161.04541	5.8
165.04036	0.7
179.05565	2.6
199.07635	0.5
215.07220	0.5
227.16530	2.2
234.94212	0.5
254.65831	0.5
259.06122	3.9
269.04623	1.3
269.14029	0.6
283.05960	0.6
287.05582	2.8
287.18762	1.3
389.22006	5.3
421.11758	0.6
449.10648	1.3
449.24942	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	449.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	0.6
59.01380	100.0
60.01716	1.6
61.98831	5.9
71.00048	0.7
71.00365	0.5
71.01384	8.7
71.05017	0.9
71.40601	0.4
72.01750	0.5
73.02953	2.7
83.01398	0.9
85.02962	4.0
87.00882	0.6
89.02439	3.9
94.25813	0.4
95.01398	0.6
99.00896	0.9
101.02454	6.4
113.02442	4.1
113.62427	0.4
119.03545	1.2
125.02477	0.6
139.07629	1.2
143.03537	1.0
155.10817	3.8
159.02989	1.0
161.04553	8.3
179.05632	0.9
180.13190	0.4
227.16522	7.4
228.16966	0.5
238.00885	0.4
269.13931	0.4
293.89362	0.4
299.02267	0.5
311.16058	0.4
374.39319	0.4
389.21796	9.4
390.22382	1.2
449.23996	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	0.7
56.48454	0.6
57.03444	0.8
58.00592	0.7
59.01381	100.0
60.01722	1.0
61.01805	0.8
61.98833	5.9
69.17270	1.6
69.17675	5.3
71.01385	11.6
72.99323	0.8
73.02962	2.4
83.01418	0.7
85.02955	3.4
89.02443	5.2
95.01387	1.4
99.00913	1.1
101.02445	7.7
105.01952	0.8
113.02465	4.4
119.03536	2.1
125.02478	0.7
135.04555	0.9
143.03549	0.7
155.10817	1.1
161.04546	8.1
176.64110	0.6
179.05714	1.1
207.13846	0.7
225.15050	1.1
227.16559	3.4
244.13567	0.8
269.13956	4.4
281.18286	0.7
389.21820	9.7
389.26450	0.7
392.84698	0.7
449.24503	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01728	1.0
61.98835	2.3
70.77287	0.6
70.77628	0.9
71.01381	5.6
71.86715	0.5
72.99330	0.5
73.02954	1.7
75.00867	1.0
83.01384	1.1
85.02957	2.4
87.00883	0.8
89.02450	3.2
95.01415	0.4
99.00900	0.7
101.02441	4.8
107.02812	0.5
107.05038	0.5
113.02471	2.5
119.03517	1.3
120.99738	0.4
125.02491	1.6
135.02992	2.9
135.04527	0.5
159.03027	0.7
161.04556	2.8
173.06053	0.5
179.05571	0.8
202.05266	0.6
215.07159	0.5
218.61867	0.4
259.06079	2.6
269.14117	0.9
287.05731	1.6
287.18643	0.8
344.35431	0.5
355.81573	0.4
389.21841	4.1
402.85239	0.5
449.11624	0.8
449.24438	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1499
Annotation	Suvorexant
Peak:m/z	Relative Intensity
59.01380	33.6
61.98818	2.9
61.99118	0.9
62.96410	27.1
64.27423	1.1
69.39159	1.0
69.92346	5.3
71.01379	4.1
73.02950	1.8
78.45216	1.0
78.95905	63.2
80.97467	34.6
83.01394	1.4
85.02951	1.9
95.01384	1.2
97.02981	1.3
98.29177	1.1
99.00867	1.1
101.02448	2.8
109.02975	1.5
109.68637	1.1
111.00847	1.8
113.02489	1.1
125.02377	1.2
135.52200	1.1
137.02419	3.6
138.33636	0.9
139.00400	1.0
147.04501	9.6
149.00084	17.2
150.63716	1.1
151.00415	1.3
161.04559	3.1
165.01929	6.0
169.01343	1.1
179.01129	2.4
181.01579	1.2
183.02922	3.2
205.15892	6.7
207.31551	1.2
211.02477	4.1
242.98271	4.4
249.14957	1.2
285.12781	1.6
355.16849	19.5
356.17151	2.1
385.17868	23.8
386.18341	2.4
389.21732	3.9
440.82040	1.1
449.14963	100.0
450.15271	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	449.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	7.1
61.98824	0.6
62.96411	24.8
70.78142	0.9
71.01370	1.1
71.16553	0.4
78.95901	60.6
80.97466	32.7
85.02917	0.5
86.58684	0.4
93.03445	0.6
99.00870	0.4
109.02950	0.7
111.00932	0.5
121.02916	0.5
139.00404	0.5
141.02026	0.5
147.04509	2.5
149.00089	16.1
151.00359	0.6
165.01907	2.1
179.01175	1.6
183.02969	0.9
205.15947	9.0
206.16338	0.8
211.02469	1.0
242.98241	5.7
285.12653	1.5
328.15393	0.5
355.16782	17.5
356.17206	1.9
385.17850	22.6
386.18115	2.1
389.21915	0.7
390.89871	0.4
449.14966	100.0
450.15341	11.8
450.21719	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1499
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	10.3
61.98819	1.1
62.29194	0.6
62.96411	24.6
67.36227	0.6
70.85686	1.8
71.01389	1.1
78.95905	60.5
79.67574	0.8
80.02467	0.7
80.97469	33.9
147.04529	1.6
149.00095	14.1
165.01942	1.0
167.09775	0.7
179.01166	2.0
183.44283	0.8
205.15984	7.6
206.16411	0.8
218.30905	0.7
242.98264	4.4
285.12631	1.4
331.21832	0.7
355.16803	18.1
356.17117	1.0
385.17850	22.3
386.18195	2.2
389.21899	1.2
410.86124	0.7
449.14899	100.0
450.15149	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	449.109
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34737	1.3
55.01868	6.4
59.01374	15.1
60.60584	1.5
60.76525	1.2
61.98833	24.2
67.01909	3.2
68.99812	10.9
69.03454	7.0
69.46744	6.6
69.47177	4.6
71.01376	18.8
72.99281	3.5
73.02929	3.3
73.97718	1.3
76.21465	1.2
78.41863	1.3
79.01881	1.4
81.03452	5.5
83.01380	13.6
83.05016	2.7
85.02953	8.5
86.72063	1.2
87.00867	9.3
89.02446	2.9
89.42883	1.9
93.03446	9.5
95.01371	5.8
96.99286	4.8
97.02971	7.0
99.00874	22.1
101.02443	4.6
103.05512	5.9
107.01355	2.1
108.02125	2.7
109.02229	1.7
109.02949	25.0
111.00883	15.3
111.04492	2.4
113.02445	6.5
119.05109	1.9
121.02967	12.5
123.00901	9.4
124.01669	2.3
125.02448	18.6
127.00364	6.5
127.04015	2.6
129.01930	2.8
131.04999	1.7
135.00888	11.5
136.01627	2.0
136.58304	1.4
137.02434	32.0
137.42580	1.4
139.00388	14.2
139.03993	4.7
141.01962	8.9
147.04518	100.0
148.04843	5.4
151.00383	7.9
152.07146	3.2
153.01920	11.2
155.03513	3.1
157.01343	3.1
165.01924	74.7
166.02252	3.9
166.39854	1.3
169.00159	1.8
169.01434	13.1
181.01498	8.0
183.02986	44.1
184.03300	1.9
193.01335	2.9
211.02472	48.8
212.02769	3.0
217.04764	2.0
228.07826	3.0
243.10252	5.3
251.16522	11.0
269.17566	9.0
275.05624	2.0
287.05811	1.9
287.18613	37.6
288.19006	2.2
305.06683	1.9
359.07578	2.2
387.15640	5.9
449.14658	10.2
449.23651	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10142	1.5
53.39865	1.3
55.01865	3.9
57.03438	2.2
59.01376	12.1
67.01885	4.0
68.99811	10.1
69.03457	5.6
69.96519	6.5
71.01383	20.2
72.99307	4.8
73.02947	1.8
81.03449	5.6
83.01379	10.9
83.05013	2.7
85.02934	8.5
87.00887	9.7
93.03456	9.7
95.01391	5.9
96.99290	2.8
97.02956	6.8
99.00880	20.1
101.02479	2.4
103.05563	7.5
108.02146	1.6
109.02943	20.4
111.00893	12.9
111.04523	2.6
111.46771	1.2
113.02459	6.3
119.05007	3.0
121.02982	7.3
123.00871	10.5
124.01705	2.3
125.02436	15.8
127.00375	9.3
127.03983	1.4
129.01981	3.0
135.00870	14.7
136.01620	4.8
137.02446	33.1
138.02814	1.6
139.00368	15.6
139.03999	4.6
141.01947	10.1
147.04520	100.0
148.04839	6.6
151.00391	8.3
153.01929	9.4
155.03473	5.5
157.01389	3.0
163.00378	1.8
165.01927	69.2
166.02269	3.7
169.01430	13.0
172.93169	1.4
181.01428	9.7
183.02979	37.9
189.11821	1.2
193.01379	3.4
197.54306	1.4
211.00458	2.7
211.02477	48.4
212.02884	1.7
216.68416	1.6
275.05563	1.6
287.05411	1.8
287.18619	2.3
297.15076	1.8
305.06659	1.6
346.56107	1.3
347.89178	1.4
359.07587	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76277	1.5
54.46917	1.3
55.01872	2.9
59.01386	11.9
61.98810	1.7
65.03970	1.6
67.01894	4.4
68.99811	9.0
69.03461	6.3
69.19416	16.8
71.01382	19.2
72.99312	3.2
73.02933	2.4
81.03460	5.8
83.01389	8.8
83.05059	1.8
85.02949	9.6
87.00882	9.8
93.03462	8.6
95.01375	4.9
95.05039	1.8
95.41077	1.6
96.99329	2.6
97.02956	6.1
99.00874	15.5
101.02438	3.5
103.05521	9.2
107.01396	3.5
109.02946	18.0
111.00867	13.5
111.04510	1.7
113.02449	3.9
119.05019	2.1
121.02976	5.8
121.10503	1.5
123.00865	8.6
125.02451	15.4
127.00382	7.5
127.03973	2.6
129.01936	3.0
135.00839	11.4
135.78171	1.6
136.01660	2.4
137.02440	28.0
139.00371	14.2
139.04024	4.5
141.01939	10.6
147.04518	100.0
148.04822	4.8
151.00345	12.4
153.01947	8.9
155.03456	4.7
157.01408	4.3
165.01923	71.3
166.02252	2.3
169.01421	12.4
181.01483	8.0
183.02954	39.9
193.01360	4.9
211.02470	50.5
212.02800	2.9
275.05612	2.0
287.05563	1.9
297.14978	2.5
301.03491	1.7
302.03534	2.1
303.04105	3.0
305.06635	1.8
359.07977	2.7
389.21603	1.8
449.09912	4.4
449.16879	1.7
449.23499	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	448.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
57.18650	0.4
58.46033	0.3
59.01379	23.5
60.01701	0.4
61.98830	100.0
69.03469	0.5
70.92700	0.7
71.01386	3.2
73.02944	0.9
75.35004	0.3
82.88216	0.4
83.01396	0.7
83.72665	0.3
85.02956	0.9
87.00882	0.6
89.02431	2.2
94.21397	0.3
95.01409	0.4
99.00889	0.5
101.02451	2.5
112.84755	0.4
113.02477	1.8
119.03522	1.0
125.02489	0.9
128.59326	0.3
148.23769	0.3
161.04553	1.8
179.05669	0.6
225.15039	0.8
226.15315	1.1
243.06592	0.5
259.05991	0.7
269.13870	0.4
287.05591	0.4
316.02365	0.5
388.20435	0.7
389.21622	2.4
448.22525	1.4
449.11005	1.3
449.23792	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.109
Annotation	SCHEMBL620954
Peak:m/z	Relative Intensity
55.01864	1.0
57.03453	5.0
59.01379	46.8
59.32302	0.7
59.46179	0.7
60.01702	1.4
61.98829	4.2
63.02397	1.1
65.00324	3.4
69.03475	0.9
69.57677	2.1
69.58111	3.0
71.01002	1.3
71.01380	17.1
72.99321	1.6
73.02947	4.8
75.00864	1.2
81.03451	4.4
83.01388	5.9
84.30613	0.7
85.02951	7.0
87.00869	2.0
87.04456	0.7
89.02438	10.2
89.02936	1.0
93.03466	5.5
94.38067	0.7
95.01376	1.4
95.05033	1.1
97.02964	1.3
99.00874	1.9
99.04483	0.9
101.02431	12.0
107.01397	5.6
109.02940	2.5
111.00882	1.4
113.02442	8.1
119.03520	4.1
119.04986	0.8
121.02944	1.5
123.00873	1.4
123.04510	2.1
124.01642	1.8
125.02444	39.1
126.02787	1.0
131.05003	0.8
133.02930	3.2
135.00803	0.9
135.02936	1.2
135.04475	1.0
137.02438	2.2
139.03989	2.3
143.03534	1.3
145.06540	0.7
149.02437	2.0
151.00356	18.5
152.01149	3.8
153.01933	4.9
154.01443	1.9
157.06587	1.0
158.03731	1.5
159.02997	0.7
161.04556	5.3
165.01886	2.1
165.04092	0.7
167.03424	1.8
172.05284	5.9
173.06065	10.0
175.00351	2.2
175.03992	2.6
175.07761	0.7
177.05518	3.0
178.99847	17.7
179.01332	1.4
179.03400	0.9
179.05591	2.7
181.01443	2.3
187.07614	1.1
195.02997	0.9
197.06145	0.9
199.07712	1.0
200.04851	1.1
201.05553	3.3
213.05502	1.1
215.07133	14.9
216.07657	0.9
219.06708	0.8
222.65500	0.8
223.04324	0.7
225.05557	0.9
241.05096	2.4
243.06625	6.8
259.06097	100.0
260.06482	7.9
264.43439	0.8
269.04544	2.6
271.06088	1.2
271.68686	0.7
273.07767	1.4
283.06064	17.9
284.06268	1.5
287.05594	53.7
287.18597	2.8
288.06012	5.6
301.07153	8.1
313.07141	2.8
341.05573	0.8
343.06509	0.8
361.09338	0.9
389.21802	2.4
403.10391	1.0
421.11392	16.3
422.11716	2.1
444.81485	1.0
449.11011	7.3
449.24490	20.5
450.23953	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2238
Annotation	Sachaloside I
Peak:m/z	Relative Intensity
55.01883	1.2
56.70695	0.7
57.03448	2.7
58.00576	1.2
59.01381	100.0
60.01709	1.1
61.98825	6.2
69.86903	0.8
71.01383	27.7
71.05050	0.9
72.99311	2.3
73.02944	7.1
83.01387	3.6
85.02953	9.7
87.00877	1.7
89.02448	16.9
95.01401	2.8
96.39576	0.8
99.00909	2.2
101.02443	21.1
105.91650	0.7
113.02452	10.8
119.03526	6.7
131.03500	0.9
150.65262	0.7
151.20805	0.8
152.07159	2.7
155.00964	0.9
155.02228	0.9
161.04602	6.1
179.05658	2.3
192.06628	4.6
223.13429	1.0
225.14899	0.9
227.03481	7.7
255.02983	9.3
256.03629	1.2
259.95227	0.8
267.12497	1.1
267.15863	1.8
284.03290	7.4
285.03964	2.1
300.02432	1.5
329.11441	0.9
357.14459	2.8
360.68881	0.8
387.20215	3.2
405.21307	1.7
408.66943	0.9
447.09445	11.3
447.22369	68.6
448.22687	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	447.2515
Annotation	Unknow
Peak:m/z	Relative Intensity
56.83352	0.3
56.88971	0.3
59.01389	0.6
59.63143	0.3
61.70712	0.3
71.31489	0.5
77.18774	0.3
78.95897	4.7
82.08775	0.3
100.62343	0.3
108.65374	0.3
110.98531	3.9
112.48203	0.3
167.01129	2.2
173.38737	0.3
185.02171	2.7
208.97548	0.4
225.00734	0.6
279.23276	100.0
280.23596	10.0
299.73700	0.3
330.12561	0.3
421.14282	0.3
429.82224	0.4
432.02167	0.3
433.36716	0.3
447.25229	5.3
448.25110	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
55.44818	0.3
59.01381	19.1
60.89376	0.3
61.98831	100.0
69.65676	0.5
69.66087	1.2
71.01385	1.5
73.02969	0.5
74.83324	0.3
80.00680	0.3
83.01431	0.5
85.02991	0.5
89.02442	0.8
101.02469	0.9
113.02483	0.7
125.02416	2.3
125.43867	0.3
146.29169	0.4
151.00436	0.3
155.10754	0.5
161.04605	1.5
165.02060	0.5
183.13756	0.3
227.16560	1.1
259.06146	2.5
269.04462	1.9
287.05615	1.0
308.48795	0.3
389.21945	1.6
449.10733	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12431	0.3
54.05863	0.4
54.33680	0.3
59.01381	11.9
60.46529	0.3
61.98831	100.0
71.01348	0.8
74.92245	0.4
83.86990	0.4
91.93294	0.3
98.19860	0.9
101.02468	0.6
113.02475	0.6
125.02406	2.0
151.00406	0.7
161.04550	0.8
259.06094	2.2
269.04626	1.7
287.05676	1.4
342.06271	0.4
389.21786	0.7
449.11115	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05164	1.0
55.01869	1.1
55.87612	1.0
57.03453	2.8
59.01381	71.5
59.36468	0.9
60.01690	1.2
61.98837	9.2
62.96049	1.1
69.03450	1.4
69.22036	8.4
71.01381	17.5
72.99321	2.0
73.02950	10.4
81.56946	0.9
83.01382	3.7
85.02956	9.2
87.00870	2.5
87.04499	1.1
89.02448	9.7
93.03432	1.3
95.01397	1.8
97.02984	1.2
98.20753	1.6
99.00888	1.6
99.04539	1.0
101.02444	15.4
107.01392	2.3
113.02451	7.9
119.03503	4.6
121.02888	1.2
125.09733	1.4
135.82521	0.9
137.02463	3.0
151.00412	5.0
161.04565	4.3
178.99779	1.5
179.05562	2.3
183.04512	2.7
187.13383	2.5
195.13892	2.0
199.09698	1.4
211.03975	2.1
223.23389	0.9
225.14929	12.9
227.03493	66.8
228.03798	5.3
229.05008	2.1
243.02982	1.2
244.60861	1.1
255.02975	92.3
256.03552	10.9
257.04337	1.6
271.02402	8.7
272.02795	1.1
283.02411	1.0
284.03253	69.7
285.03934	23.1
285.11292	1.1
286.04391	2.1
300.02734	14.7
301.03629	11.5
327.05234	1.6
343.24921	2.3
387.20139	3.1
405.21567	1.4
447.09305	100.0
447.22183	53.9
448.09543	11.8
448.22461	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	447.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	2.1
57.03442	1.6
58.00591	4.6
59.01379	99.8
60.01702	0.9
61.98834	1.1
65.00339	0.6
65.27154	0.4
69.03442	0.6
69.23195	2.9
69.23594	1.1
71.01382	71.3
71.05028	0.5
72.01718	1.8
72.99305	4.7
73.02944	10.6
75.00867	0.9
81.03473	0.5
83.01394	5.7
84.12981	0.4
85.02949	10.9
86.00102	1.2
87.00407	0.2
87.00877	8.8
89.02444	100.0
90.02788	1.3
91.16513	0.4
93.03439	0.6
95.01388	1.5
97.02964	1.1
99.00903	2.2
101.02444	47.1
102.02776	1.1
102.40835	0.5
107.01371	0.8
109.02953	0.7
111.00884	2.0
111.61822	0.4
113.02449	14.3
114.02850	0.6
119.03503	9.6
121.02977	0.8
125.02480	2.9
125.03277	0.6
129.01932	0.5
131.03505	44.1
132.03850	1.3
135.03020	2.1
143.03493	1.8
148.01741	0.8
149.04555	57.5
150.04886	1.2
151.00392	3.9
161.04578	3.0
163.00397	0.8
178.99881	1.4
179.05609	2.9
191.05614	21.2
192.05933	0.7
207.79158	0.4
211.13387	5.4
225.14993	1.0
227.03491	8.8
228.03764	0.5
233.06743	0.6
243.03052	2.1
245.04486	0.5
255.02983	16.0
256.03519	1.8
267.15988	0.8
271.02502	7.0
273.04074	0.8
284.03244	11.6
285.03970	5.8
285.17050	2.0
287.18671	1.6
300.02740	11.0
301.03491	10.4
302.03992	1.1
387.20056	0.9
387.27499	2.0
405.28540	2.0
447.09253	20.0
447.21484	4.9
447.29980	0.9
448.09628	2.6
448.22766	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40632	0.4
55.01868	1.0
57.03450	0.9
59.01379	100.0
60.01715	1.4
61.98830	5.8
65.18485	0.4
66.82561	0.4
71.01381	12.3
73.02950	3.1
82.90466	0.5
83.01405	1.6
85.02949	3.7
87.00893	0.6
88.98834	0.6
89.02448	8.5
95.01422	1.0
97.02978	0.6
97.87448	0.4
99.00888	1.1
101.02447	8.5
102.98602	0.6
113.02458	6.3
119.03495	4.1
123.08184	0.9
125.02411	0.7
126.61148	0.5
131.03523	0.4
139.99428	0.4
140.99916	0.5
143.03540	1.3
159.03065	0.7
161.04539	5.8
163.11372	0.6
173.85400	0.5
178.27275	0.5
179.05641	2.8
181.12363	0.5
189.12897	1.0
207.13850	2.2
223.13434	0.9
225.15041	1.0
226.44696	0.5
243.16011	4.9
267.12469	1.4
314.74002	0.5
316.07251	0.9
387.20175	5.1
387.24100	0.5
405.21307	5.7
447.09488	1.4
447.23270	2.4
460.38419	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	1.1
62.29664	0.2
62.96409	1.1
64.61256	0.3
64.86593	0.2
70.85574	0.8
74.85266	0.2
78.95903	39.8
80.85025	0.2
96.96963	2.8
124.23090	0.2
149.00092	19.9
150.00510	0.4
158.92540	1.4
179.01175	2.6
205.16005	1.3
227.03545	0.2
240.96623	0.3
255.03087	0.5
267.11484	0.4
271.02551	0.3
282.68884	0.3
285.04202	0.3
300.02689	0.5
301.03528	0.4
347.08075	0.8
417.12357	0.9
431.10410	2.2
432.10681	0.3
447.13403	100.0
448.13770	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	447.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	1.0
57.03451	2.2
58.00591	2.3
59.01378	100.0
61.98831	7.7
69.03461	1.2
69.17054	2.0
69.17455	9.4
71.01381	55.2
72.99300	3.4
73.02950	11.3
83.01396	3.8
83.92630	1.1
85.02944	10.5
87.00880	5.5
89.02444	77.7
89.39958	1.0
95.01392	2.9
97.02967	1.2
99.00887	2.2
101.02441	51.2
107.03506	1.2
108.02170	1.6
109.02940	6.0
113.01622	1.2
113.02444	23.3
114.02767	1.2
114.70830	1.0
119.03498	26.5
125.02453	8.6
131.03542	6.1
135.03020	1.2
143.03490	7.8
147.00864	4.1
147.04517	1.1
149.04543	2.7
153.01930	7.4
159.02913	1.2
161.04567	17.9
161.05908	1.9
175.04051	1.2
179.05614	66.3
180.04330	1.1
180.05960	1.5
183.04497	1.6
195.06645	1.9
199.04012	1.7
207.06625	1.2
211.04034	2.8
212.04797	2.8
221.06657	15.6
222.07013	1.3
225.07672	3.1
227.03433	1.6
239.03432	2.3
240.04245	2.7
241.04919	1.5
243.02953	1.1
255.02965	5.2
256.03781	2.0
257.04504	2.5
283.02386	3.9
284.03232	36.2
285.03970	24.0
285.16992	1.4
286.04318	2.4
387.20508	2.2
447.08905	11.2
447.22321	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	447.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	2.8
69.90576	2.4
71.01376	6.1
73.02944	2.0
83.01415	1.0
85.02946	3.1
87.20200	0.6
89.02439	1.7
95.01393	1.0
99.00881	2.3
101.02441	3.5
108.02174	49.0
109.02976	15.9
110.03305	0.8
113.02435	2.7
118.31179	0.5
123.04593	0.7
142.71899	0.6
151.04022	2.3
152.01146	91.0
153.01485	4.4
155.47543	0.6
161.04517	1.7
163.04031	3.6
177.01892	1.2
238.69760	0.6
271.08047	1.3
315.07291	1.3
435.75934	0.7
443.51797	0.6
447.11414	100.0
448.11761	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	447.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92168	0.7
53.10344	0.9
55.01879	1.5
57.03444	1.8
58.00598	1.8
59.01381	76.1
60.01738	1.5
61.98829	5.7
65.03964	5.4
67.01897	1.9
69.03464	2.4
69.87946	3.8
71.01380	39.6
72.01740	0.8
72.99316	2.9
73.02953	8.9
75.00896	1.6
81.03461	0.8
83.01409	2.8
83.05074	1.1
85.02959	7.7
87.00894	2.3
89.02447	41.4
90.02761	1.2
95.01415	2.4
97.02946	2.1
98.19954	0.9
99.00900	3.7
99.04534	0.9
101.02444	22.6
109.02955	45.8
113.02444	10.8
114.55320	0.7
115.04046	2.8
119.01512	0.7
119.03506	11.8
125.02451	11.1
131.03499	4.9
135.00871	10.2
137.06091	0.9
138.61639	0.8
142.67570	0.7
143.03503	3.9
147.00920	2.9
148.01649	1.1
149.04562	1.6
152.01161	1.7
152.61847	0.8
153.01936	100.0
154.02242	3.9
161.04510	7.2
163.07460	0.7
165.01949	1.4
165.05756	0.7
165.95064	0.9
179.05605	24.0
180.04214	0.9
183.04579	1.0
183.06535	0.9
187.85229	0.8
199.04149	1.1
211.04124	2.9
212.04735	2.2
221.06734	5.6
225.07788	2.6
227.03488	1.6
229.04984	0.8
233.06763	3.4
239.03551	2.8
240.04355	2.5
241.05132	0.9
243.02983	1.0
243.16055	1.1
255.03073	4.4
256.03854	3.3
257.04596	1.7
283.02502	3.9
284.03253	31.6
285.03989	21.6
285.17206	1.5
293.08881	2.9
299.05637	1.1
387.20425	1.3
447.11331	34.3
447.22552	3.2
448.11740	3.4
448.22736	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.0932
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	0.6
63.02401	1.6
65.00323	2.7
71.01298	1.2
74.79063	0.5
83.01379	1.3
107.01404	5.6
108.02179	2.7
109.02979	4.6
119.01389	0.7
121.02964	4.2
135.00900	1.9
145.05444	0.6
148.01666	2.3
149.02444	1.4
151.00385	18.5
159.04552	0.8
163.00391	6.4
169.01524	0.7
174.03131	0.6
178.99866	9.6
182.25552	0.5
183.04459	0.9
187.04012	0.9
190.99911	0.5
192.00566	0.9
199.04048	1.5
201.05548	1.2
201.84959	0.6
203.03456	0.7
211.04031	2.9
215.03522	0.9
216.04314	1.1
226.02623	1.2
227.03493	8.5
228.04099	0.5
229.05078	1.6
239.03337	0.5
243.00446	0.8
243.02966	14.2
244.03284	1.4
245.04587	2.7
254.02199	2.0
255.02983	38.1
256.03381	4.6
266.02429	0.7
271.02475	64.0
272.02869	8.2
273.04031	2.3
277.06204	0.6
283.02496	2.9
284.03241	3.3
285.04050	0.9
299.02048	1.9
300.02756	100.0
301.03494	90.3
302.03900	7.6
447.09314	70.6
448.09601	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	447.1142
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01116	0.7
59.01374	4.0
70.15345	1.3
70.15734	1.3
71.01390	5.9
73.02942	2.6
83.01388	0.8
85.02951	3.5
86.33315	0.7
89.02446	1.3
94.19144	0.5
95.01372	1.2
99.00890	2.4
101.02444	3.6
108.02175	54.8
109.02975	16.1
113.02444	2.2
123.00891	0.8
123.04553	1.2
135.04561	0.9
151.04053	1.4
152.01147	96.7
153.01826	5.1
161.04593	1.5
163.04005	3.1
176.60168	0.6
177.01765	0.8
179.03391	0.6
256.49738	0.7
271.08136	1.1
315.07349	1.3
447.11417	100.0
448.11734	12.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.0932
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	5.5
60.24731	0.5
61.98823	1.2
62.34594	0.5
63.02393	0.5
69.26109	4.5
73.02949	1.6
83.01366	0.8
83.38021	0.4
85.02969	0.6
89.02445	1.0
93.03460	0.6
98.20700	1.0
101.02467	0.9
107.01399	1.1
121.70819	0.5
125.02420	0.5
132.02231	0.5
135.00867	0.6
143.05037	0.5
151.00331	2.8
153.01999	0.6
163.00388	0.5
167.05046	0.6
171.04431	0.5
174.03214	0.5
183.04520	1.5
186.47322	0.4
187.03981	0.9
195.35870	0.5
199.04007	0.4
203.11397	0.4
211.04030	1.4
212.90408	0.5
213.05463	0.6
225.14955	2.0
227.03496	74.8
228.03870	5.5
229.05037	2.0
246.53786	0.5
255.02982	100.0
256.03537	14.5
257.04483	2.0
284.03259	81.8
285.03937	26.4
286.04385	2.0
300.02719	0.8
327.05283	1.0
345.10843	1.1
447.09305	98.6
448.09644	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	447.0934
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	0.4
57.84338	0.3
59.01382	20.1
60.01679	0.4
61.98838	3.0
62.97729	0.3
63.02400	0.5
65.00325	0.7
69.53490	0.8
69.53912	1.4
71.01382	4.4
73.02948	3.0
81.17940	0.3
83.01383	1.0
85.02937	1.7
87.00874	0.5
87.04527	0.5
89.02442	2.5
93.03467	0.3
95.01340	0.4
97.03012	0.4
98.19855	0.6
101.02436	3.1
107.01382	1.0
109.02972	0.4
113.02463	2.2
119.03477	1.1
121.02932	0.3
125.02458	0.5
125.09708	0.5
135.00867	0.5
137.02443	0.8
143.03627	0.3
143.05013	0.3
151.00369	3.0
153.01920	0.3
159.04440	0.3
161.04596	1.7
163.00381	0.8
164.19371	0.3
169.01454	0.3
174.03250	0.4
178.99847	1.2
179.05559	0.6
183.04562	1.2
185.02451	0.4
185.06070	0.6
187.03975	1.0
187.13458	0.3
194.25674	0.3
211.03925	2.2
213.05547	0.7
223.11501	0.4
225.14969	4.5
226.15173	0.3
227.03490	72.3
228.03864	6.5
229.05014	1.9
239.03500	0.8
241.04930	0.5
243.03000	0.8
243.06770	0.3
255.02982	91.1
256.03552	12.8
257.04477	1.4
271.02524	2.7
284.03253	71.3
285.03943	28.9
286.04376	2.6
299.05676	0.4
300.02719	4.2
301.03494	3.5
327.05188	1.1
328.05173	0.4
343.25018	1.0
387.20218	1.2
387.24454	0.5
447.09314	100.0
447.22125	9.4
448.09634	12.9
448.15991	0.6
448.22702	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2078
Annotation	Dendroside G
Peak:m/z	Relative Intensity
55.01900	1.3
57.03472	1.0
59.01379	26.8
65.00339	0.7
67.04728	0.7
69.41873	5.3
70.63776	0.8
71.01378	11.9
72.99333	1.5
73.02975	3.0
83.01430	2.0
85.02962	3.9
87.00898	1.6
89.02439	7.6
95.01446	1.1
97.02987	1.4
99.00901	1.7
99.04514	17.9
101.02449	5.7
107.01419	1.0
109.02947	1.9
111.00899	1.1
113.02457	4.8
113.06104	1.4
119.03535	2.3
125.06071	9.7
129.01949	0.7
134.51791	0.6
135.08255	0.8
139.07722	1.5
143.07161	1.9
145.02982	0.8
151.00420	3.0
153.01897	0.8
153.09224	0.8
161.04654	0.9
163.00357	0.7
202.64192	0.9
209.15421	1.4
221.15445	2.8
223.13400	1.3
239.10930	3.7
239.16510	43.2
240.16876	3.1
243.03003	1.2
255.02954	2.1
265.14383	7.4
271.02457	6.3
272.02518	1.0
283.15491	100.0
284.15805	9.3
285.17075	1.4
299.02045	1.1
300.02667	7.9
301.03513	9.6
304.05380	0.8
311.26410	0.7
325.16541	2.3
327.08521	1.2
382.22214	0.8
401.21814	7.2
402.22064	0.8
445.07846	5.1
445.20612	37.9
446.20953	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	445.2359
Annotation	Unknow
Peak:m/z	Relative Intensity
58.66209	0.5
59.01376	1.2
63.73024	0.4
71.09777	1.2
78.95908	5.7
110.98528	4.6
121.72861	0.4
157.70430	0.5
167.01091	1.8
185.02170	4.5
277.21722	100.0
278.22070	11.4
445.23666	4.1
446.24008	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.199
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21777	0.7
54.44972	0.7
59.01381	100.0
60.01720	0.8
61.98840	2.6
66.68009	0.6
69.91782	0.7
69.96566	0.7
69.97544	3.7
70.32706	0.7
71.01408	1.1
78.95915	4.2
85.02885	0.6
86.33923	0.8
89.02460	1.2
90.68121	0.7
92.76753	0.7
96.96133	0.7
113.02486	0.9
149.00085	7.8
153.09225	1.2
189.93089	1.1
205.12459	1.1
205.15916	5.5
225.92831	1.1
233.11676	1.6
271.58618	0.8
274.91034	0.9
317.43298	0.8
355.16806	24.2
355.21033	1.5
356.17294	3.2
385.17859	13.3
386.18567	2.1
401.30481	6.4
402.30750	0.9
443.76944	0.9
445.20691	3.6
445.29681	10.6
446.30063	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	0.8
57.80624	0.5
58.00602	1.2
59.01379	100.0
60.01715	1.0
61.98828	0.7
63.33561	0.4
71.01381	18.0
72.99318	1.1
73.02953	1.6
83.05029	2.5
85.02960	2.8
87.00869	1.2
89.02444	27.6
95.01413	1.7
96.95973	0.5
101.02444	10.1
113.02448	9.4
119.03508	11.5
119.04952	3.3
121.06618	0.5
125.02475	0.7
131.03546	1.3
135.02963	1.0
141.05528	0.5
143.03490	3.0
149.04581	1.3
161.04555	4.1
163.04068	2.5
167.07074	1.0
179.05620	15.5
180.05893	0.7
182.50464	0.5
203.10803	0.5
205.12395	1.4
237.09250	0.7
241.14474	0.6
283.15598	0.8
327.08737	5.2
438.32355	0.5
445.21194	3.5
446.20483	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75720	0.6
54.63047	0.7
55.01882	1.0
57.03452	3.2
59.01380	100.0
60.01730	1.2
69.47626	5.0
71.01382	22.0
72.75166	0.6
72.99326	1.6
73.02959	5.2
75.00892	0.6
83.01393	2.9
85.02938	6.8
87.00896	1.5
89.02448	17.3
90.02704	0.6
95.01402	1.7
97.42527	0.7
99.00906	1.2
101.02448	16.0
101.06103	0.7
113.02460	8.6
113.06099	0.8
119.03504	8.8
132.34799	0.7
137.09740	1.3
143.03493	2.1
153.09239	1.1
159.03043	1.6
161.04565	8.7
162.05025	0.7
163.11295	0.8
165.09230	2.0
179.05615	5.0
179.09526	0.7
179.10791	4.0
187.11333	1.1
197.59296	0.6
205.12346	6.2
223.13425	10.4
235.13458	1.6
247.13431	1.0
265.14493	3.2
313.16354	0.7
314.99500	0.6
341.76007	0.7
362.03671	0.7
377.95935	0.8
385.18759	1.3
403.19656	1.2
445.20810	3.2
446.21207	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
55.80003	0.5
56.22205	0.4
57.03455	1.0
59.01379	100.0
60.01725	1.0
61.23499	0.5
66.51269	0.5
69.03441	2.9
69.25726	4.8
71.01387	11.0
72.99308	0.7
73.02953	3.1
74.55031	0.5
83.01405	0.9
85.02950	3.5
87.00873	1.0
89.02444	4.3
93.03554	0.5
95.01378	0.7
99.00903	0.8
100.91178	0.5
101.02435	6.5
111.00935	0.6
113.02450	8.0
119.03524	2.5
135.03026	0.9
143.03563	0.7
151.07639	0.9
159.03041	0.7
161.04556	5.1
179.05608	0.8
179.10625	0.6
205.12335	0.7
223.13394	1.3
265.14520	1.0
283.15546	2.1
385.18848	1.1
445.20691	10.0
446.21243	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.3892
Annotation	3-Deoxyocotillol
Peak:m/z	Relative Intensity
55.35834	0.3
70.27390	0.5
70.27779	0.7
86.83350	0.3
88.14612	0.3
94.45540	0.3
98.19678	0.3
121.64096	0.3
123.59193	0.3
231.43195	0.3
340.05737	0.3
443.38919	100.0
444.39264	20.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.0775
Annotation	Baicalein 6-glucuronide
Peak:m/z	Relative Intensity
57.03436	1.1
59.01375	9.7
63.02380	2.4
65.00319	4.9
69.23663	6.4
71.01381	3.8
72.17839	0.6
73.02952	6.9
75.51394	0.6
80.43364	0.7
80.44027	0.6
82.95309	0.6
83.01376	3.9
85.02934	1.8
87.00900	1.1
89.02440	2.7
95.68835	0.7
98.19861	1.6
101.02438	2.5
107.01396	8.1
111.00928	0.7
113.02448	1.7
113.30843	0.7
116.77724	0.6
119.03468	1.5
121.02928	1.1
122.61492	0.8
125.02451	6.8
133.02924	1.1
135.04535	0.7
145.02930	2.9
146.51262	0.6
147.04541	1.5
149.02490	0.8
151.00368	28.0
152.00883	1.3
153.09273	0.7
159.04514	0.9
160.01526	0.8
161.02440	8.2
162.03261	1.5
163.04039	3.2
165.12836	0.8
169.01369	1.4
173.02422	0.7
175.03972	2.6
178.99855	15.1
187.00435	1.5
187.03918	0.9
189.01892	4.4
190.02615	0.9
191.03506	3.0
192.00681	1.7
193.01445	0.9
195.04567	0.8
201.01962	1.0
201.05510	0.7
203.03477	2.4
209.11856	2.0
211.04060	0.9
217.01411	1.1
221.04591	1.2
221.15433	1.5
223.03874	0.9
227.03479	2.6
229.01576	1.0
229.04984	1.1
231.03030	0.9
239.03348	0.8
239.16365	0.8
241.05019	1.4
243.02859	0.8
247.02217	0.8
251.03461	1.4
255.03006	0.8
256.03726	1.3
257.86646	0.7
267.02948	2.5
269.04568	1.9
271.02533	0.8
274.76703	0.7
279.03043	1.6
280.03723	0.8
282.32175	0.7
283.15485	10.3
284.03149	1.2
285.03964	1.9
285.17108	0.8
295.02448	7.8
295.09683	0.7
296.03061	2.6
297.04019	7.2
298.01181	1.4
299.01990	1.2
300.02798	1.6
301.03537	2.8
309.04056	1.0
310.98193	0.7
311.01880	3.1
312.02579	0.9
313.03534	8.2
314.04092	1.0
315.04703	0.7
323.01935	11.2
324.02570	1.9
327.01440	8.3
337.03815	1.1
341.02997	25.2
342.03381	1.8
355.04562	2.6
371.03802	1.2
373.05579	2.1
383.03793	1.1
389.69641	0.7
427.06540	0.9
445.07739	100.0
445.20609	2.9
446.08115	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	443.2473
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98825	0.9
69.34628	4.6
74.99065	1.3
91.93474	0.6
105.44987	0.6
106.44727	0.6
130.33801	0.6
149.81441	0.6
155.67993	0.6
159.08473	3.7
161.06377	1.1
217.07109	1.2
226.90442	0.6
237.58929	0.8
277.07471	3.0
343.12253	1.3
345.13727	1.7
357.13809	3.5
359.15326	100.0
360.15497	15.8
377.16556	0.8
425.20059	0.9
427.21579	49.2
428.21832	11.0
443.24677	6.7
443.34534	0.7
444.25034	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.3016
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48370	0.6
55.91952	0.5
59.01368	2.1
60.67139	0.5
61.98819	0.6
70.40407	2.3
71.01380	1.2
93.25259	0.5
101.02435	0.9
116.60945	0.6
125.16245	0.6
151.78453	0.6
163.06116	2.5
220.55049	0.8
279.23285	100.0
280.23633	9.8
443.31497	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	18.1
59.01380	100.0
61.98820	3.2
65.90070	1.3
67.58616	1.3
69.03444	2.8
69.29263	6.2
69.29688	5.8
71.01382	33.5
72.01752	1.4
72.99308	6.3
73.02947	27.2
75.00878	1.3
75.19041	1.3
81.03474	1.4
83.01392	10.5
83.05022	3.0
85.02932	12.7
87.00867	4.7
89.02432	17.1
93.03464	4.1
95.01415	2.2
95.04992	2.3
97.06593	3.5
97.89244	1.4
99.00876	3.1
101.02446	29.6
108.12023	1.5
111.04511	1.7
113.02431	18.2
119.03476	5.6
119.05030	1.7
119.11481	1.3
121.02956	4.9
121.06602	4.2
123.04522	4.8
123.08167	6.5
131.03482	2.3
135.04500	6.4
135.08167	1.9
137.02440	6.5
137.09717	2.7
139.04008	1.9
141.01993	1.8
141.05605	1.3
142.99783	1.4
143.03488	2.6
148.05307	1.8
149.04570	2.6
149.06067	1.3
151.07640	19.9
153.09222	1.8
155.03508	1.5
160.08980	1.6
161.04588	7.6
161.09735	8.6
163.07657	13.9
164.08134	2.0
165.09212	10.4
169.01015	1.5
173.09700	3.6
175.11240	3.0
177.09166	5.4
178.37862	1.4
179.10802	10.1
187.07669	2.7
188.08434	8.7
189.09253	1.7
191.10661	2.7
193.12344	4.1
203.10771	54.4
203.12692	2.8
204.11102	4.2
221.11819	72.3
222.12144	6.7
225.04088	2.5
239.12927	2.1
245.11833	2.0
263.09598	1.5
263.12677	3.2
281.10452	2.0
281.14005	2.9
295.24973	1.6
443.19647	19.1
444.19669	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	443.1921
Annotation	Dendromoniliside C
Peak:m/z	Relative Intensity
51.41256	1.0
57.03458	2.0
59.01378	31.9
61.98809	1.4
62.82634	1.0
69.03442	1.1
69.96323	4.2
69.96732	2.3
71.01074	1.1
71.01392	13.6
72.99312	2.8
73.02934	2.9
83.01389	2.3
85.02936	4.6
87.00879	57.0
89.02454	8.9
95.01382	2.1
99.00856	1.6
101.02419	5.5
102.98587	1.5
111.00835	1.4
113.02450	5.1
114.03459	1.2
119.03486	2.2
135.08078	1.3
137.02390	1.9
161.04581	1.0
181.44122	0.9
189.12874	1.1
191.12769	1.7
191.14427	34.7
192.14674	1.8
195.08046	1.3
197.09749	1.4
201.12737	1.5
213.83130	1.2
217.12207	2.1
219.13878	6.6
237.14961	100.0
238.15317	9.5
241.64474	1.2
245.11761	9.1
263.12881	54.9
264.13232	6.1
281.13940	77.6
282.14307	9.6
283.15350	1.6
307.18985	1.5
323.15036	1.9
325.20145	1.4
379.34637	1.2
443.19070	54.8
444.19620	8.1
448.76572	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1921
Annotation	Mitoxantrone
Peak:m/z	Relative Intensity
55.01866	2.2
57.03439	1.9
58.00582	1.3
59.01381	42.4
69.58372	3.5
71.01382	28.2
72.01720	0.6
72.99298	2.5
73.02950	4.8
83.01392	3.9
83.05032	0.6
85.02949	10.2
87.00874	1.7
89.02442	16.2
95.01392	1.9
95.05000	0.6
99.00886	2.3
101.02444	20.3
111.04535	0.9
112.43143	0.5
113.02450	10.1
119.03506	8.5
119.04994	4.1
123.08202	0.8
143.03520	0.7
159.03017	0.7
161.04576	2.6
163.04033	4.9
179.05696	0.5
189.12846	2.0
193.05087	0.9
194.27554	0.5
219.13972	0.6
237.14862	0.9
443.19196	100.0
444.19580	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	443.1922
Annotation	Mitoxantrone
Peak:m/z	Relative Intensity
55.01878	1.9
57.03440	2.0
58.00591	0.9
59.01381	34.5
60.98635	0.5
61.98832	4.9
69.03458	1.4
69.86591	0.5
71.01383	20.5
71.05022	0.5
72.99295	2.2
73.02943	5.1
73.97683	0.5
75.00863	0.8
77.00298	0.5
80.58800	0.6
83.01405	3.1
83.05035	0.9
85.02947	7.6
87.00859	2.4
87.98481	0.5
89.02446	10.9
95.01387	2.1
95.05005	1.4
97.02942	1.6
97.06592	1.1
99.00866	2.3
101.02441	14.7
107.05009	0.5
109.06617	0.7
111.00867	0.7
113.02457	7.5
116.16703	0.6
116.70522	0.5
119.03513	3.3
119.05038	2.7
121.02908	0.6
123.04548	0.5
125.02440	0.8
134.03656	0.6
136.79146	0.5
143.03537	0.8
149.09795	1.0
151.07628	0.7
153.09338	0.6
161.04541	1.8
167.07088	1.0
179.05714	0.6
189.12799	0.5
203.10773	0.8
219.10428	0.5
219.14014	1.0
221.11749	2.8
235.88548	0.5
240.16193	0.5
245.11815	0.7
263.09442	0.7
263.12845	1.3
281.13907	2.9
307.21130	0.5
310.33517	0.6
332.62405	0.6
414.50287	0.6
443.19205	100.0
444.19571	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	443.1922
Annotation	Mitoxantrone
Peak:m/z	Relative Intensity
55.01882	2.3
57.03438	2.5
58.00594	1.5
59.01381	35.5
61.98830	4.9
65.21857	0.6
69.03452	1.5
69.31154	4.5
71.01380	20.9
72.99294	2.0
73.02943	5.7
75.23458	0.7
83.01387	3.5
83.05039	1.3
85.02950	9.1
87.00867	2.0
87.04548	0.7
89.02450	11.0
89.03001	0.7
95.01378	2.4
95.05007	0.6
97.02945	1.8
97.06565	0.9
98.20642	1.1
99.00876	1.8
99.04506	0.6
101.02429	13.0
102.98657	0.7
106.60035	0.7
109.06578	0.7
111.00901	1.2
111.04498	1.1
113.02448	7.7
113.22333	0.6
118.58663	0.5
119.03524	3.3
119.05037	2.7
120.99586	0.6
121.02956	0.8
123.04489	0.5
123.08159	1.3
125.02507	0.7
125.06057	0.8
127.78255	0.5
128.03557	0.6
135.02971	0.7
135.08034	0.9
141.01990	0.7
143.03555	0.6
159.02844	0.6
160.01642	0.7
161.04539	2.2
167.07153	1.3
179.05644	0.8
201.12718	0.8
202.30374	0.6
219.13837	0.9
221.11848	4.4
263.12939	1.4
281.13971	2.6
306.57263	0.6
323.76706	0.7
327.13541	0.7
402.39362	0.6
443.19226	100.0
444.19604	13.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01322	0.5
59.01379	2.4
61.98829	0.6
70.08107	0.7
70.08497	0.9
71.01365	2.2
72.99305	0.4
73.02962	0.7
75.00883	0.6
83.01429	0.4
85.02928	0.4
87.00874	0.7
87.74585	0.4
89.02451	1.6
93.03487	0.9
101.02435	0.8
113.02435	0.7
117.01949	0.9
119.05030	100.0
120.05353	5.0
135.02968	1.9
137.02475	1.2
139.03961	0.5
163.04016	99.1
164.04341	5.0
191.81963	0.4
203.94766	0.4
225.03944	0.4
251.22113	0.5
254.48007	0.4
281.06671	1.3
325.09274	6.9
443.11972	9.2
443.18896	1.5
444.12314	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1193
Annotation	Unknow
Peak:m/z	Relative Intensity
56.79967	0.3
57.03445	0.4
59.01377	6.9
61.98833	4.9
63.31797	0.3
71.01378	5.0
72.99326	2.0
73.02953	1.2
75.00868	1.0
83.01390	0.8
85.02946	2.0
87.00874	1.4
88.98783	0.3
89.02435	3.3
93.03476	0.8
95.01391	0.5
97.06601	0.5
99.00845	0.3
101.02422	2.0
102.98602	0.3
103.00409	0.5
113.02451	2.9
116.18342	0.3
117.01968	0.7
119.05029	86.7
120.05360	4.5
121.02934	0.5
122.06057	0.5
125.02447	0.3
130.68571	0.3
131.34874	0.3
133.06720	0.3
133.42125	0.3
134.03664	0.4
135.03015	0.4
135.04408	0.4
137.02440	1.4
138.05595	0.3
139.05968	0.3
149.06059	0.3
156.71046	0.3
160.01619	0.5
161.04509	0.7
163.04010	100.0
164.04346	5.6
165.05571	0.4
167.03648	0.4
175.03970	1.1
179.05644	0.5
193.03445	0.5
193.05014	0.9
203.10654	0.4
204.04292	0.7
205.05103	0.6
219.06615	1.3
219.10161	0.3
225.03976	0.5
237.09424	0.4
245.11818	0.4
263.09238	0.4
281.06583	0.5
281.10519	0.5
281.13931	0.5
325.09253	2.7
326.09567	0.4
355.10248	0.4
443.11981	3.7
443.19131	8.3
444.12259	0.4
444.19641	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	0.6
59.01384	5.9
61.98830	0.8
63.91336	0.4
63.91742	0.4
69.44051	1.5
69.44475	2.3
70.89882	0.5
71.01377	1.4
72.99286	1.6
73.02942	0.9
75.00881	0.5
82.35726	0.5
85.02946	0.6
87.00869	0.9
88.37413	0.5
93.03422	0.6
96.99310	9.2
98.20618	1.1
101.02429	1.1
103.05532	0.7
105.01952	0.5
113.02419	0.6
115.05535	5.9
117.03459	1.1
121.02969	1.3
131.05042	0.9
147.04517	10.9
147.16963	0.5
148.04849	0.9
160.27560	0.5
165.04070	0.8
205.10274	3.5
207.11736	1.0
233.09695	21.1
234.10089	1.3
245.31157	0.5
249.09219	0.6
251.10631	0.7
277.08704	7.4
278.08911	1.2
286.08859	0.4
295.09732	100.0
296.10083	10.5
383.24429	0.7
401.25375	1.0
443.13437	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	441.2857
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61238	0.4
59.01372	1.6
68.07755	0.4
69.40670	2.0
69.41097	1.4
71.01379	1.4
73.02926	0.7
77.47768	0.4
85.02961	0.6
86.24020	0.4
101.02450	1.2
108.11863	0.4
118.08595	0.5
163.06105	3.7
181.07251	0.6
205.94907	0.4
220.05585	0.4
233.22737	0.5
259.20627	0.7
275.20190	0.6
277.21713	100.0
278.22058	10.7
278.24954	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.1566
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82230	0.6
51.42038	0.6
51.76623	0.6
57.03456	1.9
59.01380	13.2
61.98831	100.0
67.01437	0.6
69.03451	0.8
69.50376	2.6
69.50779	1.8
71.01385	6.0
72.01724	0.7
72.99325	1.2
73.02933	3.5
83.01387	1.9
85.02956	2.0
87.00886	2.7
89.02457	3.2
92.65955	0.6
93.03464	1.3
99.00867	0.8
101.02431	3.9
113.02464	2.7
119.03506	2.0
121.02944	1.0
123.04534	0.8
123.08200	0.8
135.04543	0.9
137.02469	2.7
139.04083	0.7
143.03537	0.6
151.07692	1.5
153.09235	0.9
154.46385	0.6
161.04568	0.9
163.07709	1.1
165.09181	1.2
178.66866	0.6
179.10815	2.0
188.08356	0.9
203.10695	2.9
205.02997	0.6
221.11795	5.9
236.12230	1.3
244.07481	0.6
263.12915	1.2
294.94302	0.7
382.18073	1.1
442.19128	1.7
443.10187	1.3
443.19299	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1193
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88213	0.7
55.01875	0.8
57.03444	1.0
58.21107	0.7
59.01103	1.3
59.01379	16.0
61.98829	4.9
69.03457	1.6
69.94439	3.6
71.01389	9.3
72.99296	2.6
73.02940	2.2
75.00863	1.0
83.01370	2.0
85.02953	3.1
87.00887	4.3
89.02450	5.6
93.03472	2.6
95.01372	0.8
95.05011	0.8
97.06607	0.8
98.18456	0.7
99.00922	1.9
101.02437	5.0
102.98652	0.9
111.00883	1.2
111.04500	0.8
113.02462	3.9
113.16162	0.8
116.92891	1.0
117.01918	1.0
117.03329	0.7
119.03620	2.5
119.05028	100.0
120.05373	5.0
131.03464	1.1
132.02202	1.8
134.03745	19.5
135.03036	1.9
135.04311	0.7
137.02438	11.0
139.04007	2.2
142.99855	0.8
149.06085	8.9
150.03183	0.8
160.01651	14.8
161.02071	1.2
163.04007	95.2
164.04381	6.8
175.04016	15.8
176.04533	1.8
178.02713	17.5
191.85602	0.7
193.05054	55.1
194.05424	3.2
203.10738	2.1
217.05092	0.8
221.11842	2.2
225.04002	2.5
237.09273	1.5
263.05566	1.0
263.12888	1.4
265.02301	0.9
281.06671	36.5
282.07117	2.7
325.09286	5.6
355.10406	1.1
443.12036	9.2
443.19113	10.4
444.12701	1.2
444.19363	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1587
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12477	7.4
53.44437	7.4
57.03450	13.2
58.99606	8.5
59.01382	100.0
61.98835	10.8
69.03453	10.4
71.01376	29.6
71.05024	8.1
71.55617	6.9
71.56008	9.0
72.99312	16.7
75.00872	21.6
85.02945	16.3
87.00867	12.5
88.95474	7.3
89.02438	13.4
93.03516	7.7
99.35085	7.3
101.02419	20.4
102.98613	77.1
113.02431	17.1
119.04990	11.1
123.08134	11.0
135.03008	37.1
135.04549	8.8
147.04445	15.9
167.06087	15.1
175.11246	9.0
191.14494	10.8
209.07204	36.8
219.10330	9.3
233.11630	10.5
235.13393	45.5
261.11264	16.6
279.12399	13.0
281.13879	19.3
323.11356	12.7
338.11429	24.6
382.10376	32.4
424.11206	11.4
441.21677	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	441.1895
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31919	23.6
59.01388	46.0
59.66343	21.4
61.98822	98.8
70.04306	100.0
71.01376	62.5
96.96005	41.0
101.02441	38.3
103.45912	24.0
110.83189	22.1
111.17995	24.4
114.21475	27.5
125.02415	37.6
135.16148	22.5
145.35878	22.6
184.06224	55.2
215.65868	24.2
223.45161	22.3
236.36424	21.5
255.02812	27.0
283.02365	32.0
423.07007	98.0
424.07498	34.5
441.19043	41.1
460.04367	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	441.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46661	0.4
50.81623	0.4
59.01380	100.0
60.01722	1.1
61.98826	5.8
70.55019	0.4
71.01380	3.7
71.55145	0.6
71.55508	0.6
72.99327	1.0
73.02951	2.4
83.01395	1.0
85.02954	1.2
87.00842	0.5
89.02466	1.9
101.02475	2.4
106.40278	0.4
113.02481	0.9
121.02981	0.5
143.03534	0.5
147.04568	0.7
159.35603	0.5
161.04637	0.7
161.09882	0.6
175.14954	2.8
175.32181	0.4
251.10748	0.7
295.09824	0.7
361.54892	0.5
361.60587	0.5
378.23355	0.4
386.52234	0.5
441.13913	0.5
441.21182	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
58.45448	0.4
59.01380	100.0
60.01714	1.7
61.98837	3.1
63.64971	0.4
71.01387	3.1
72.99330	0.9
73.02946	2.0
76.61317	0.4
83.01405	0.7
85.02973	1.0
87.00871	0.7
89.02464	1.5
95.01402	0.5
101.02443	2.1
113.02472	0.8
116.16206	0.4
117.13788	0.4
122.75021	0.5
139.17468	0.5
147.04597	0.9
147.78537	0.4
161.04622	0.9
172.30164	0.4
175.14919	2.1
231.34145	0.4
259.34406	0.5
295.10114	0.6
299.14786	0.5
356.74591	0.4
441.21332	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1165
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	28.5
61.98821	10.8
68.74793	3.0
70.20885	11.9
71.01379	19.0
78.95904	31.6
80.96475	4.9
85.02937	8.7
87.00878	6.9
89.02443	18.5
92.50420	3.0
96.96011	100.0
96.96947	41.8
98.95616	15.0
101.02453	14.2
101.03015	2.9
113.02452	10.4
115.00324	4.1
119.03473	7.9
125.02477	4.5
138.30400	3.2
143.03511	3.1
149.02434	4.0
161.04570	3.5
175.02386	3.2
177.01912	24.7
177.05418	3.6
179.05592	9.2
192.04274	10.5
195.67210	2.9
199.92766	2.8
210.05418	2.8
213.36751	3.2
225.07675	3.6
242.53406	2.9
257.44617	3.0
267.48160	2.7
273.95105	2.9
280.28928	3.0
345.11816	6.3
387.12964	9.6
405.13898	11.8
423.07208	5.0
441.06967	7.8
441.16568	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	440.177
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02008	1.4
54.32082	1.2
59.01377	73.9
59.66529	1.2
60.01712	3.3
60.81990	1.1
61.24923	1.1
61.98830	100.0
62.70886	1.1
71.01379	6.7
71.27392	1.0
71.54948	1.2
72.78403	1.1
72.99314	2.5
75.84097	1.4
83.01400	1.1
85.02970	2.1
87.00880	4.1
95.01343	1.1
96.99299	2.1
101.02454	4.6
103.00364	6.9
113.02464	1.2
115.05544	1.7
115.35546	1.1
124.37762	1.1
145.01445	4.0
147.04520	4.0
163.04083	1.1
188.12001	1.5
221.09750	1.3
233.09674	5.2
251.10808	3.4
271.99457	1.5
277.08597	2.0
291.18005	2.1
295.09729	21.5
296.10135	1.6
299.14380	9.5
343.13327	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	440.1773
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	59.3
61.98831	100.0
69.03469	1.1
70.89321	0.6
71.01375	4.6
72.99321	1.9
73.02950	1.8
83.01405	1.0
85.02946	1.9
89.02454	1.0
98.19823	1.2
101.02459	2.6
102.98635	0.8
113.02460	1.7
125.02384	0.8
147.04550	1.1
229.19861	1.0
291.18283	2.6
295.09842	2.0
299.14499	1.1
311.43036	0.7
315.47205	0.8
367.07385	0.8
414.55658	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1039
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42150	0.6
55.01878	1.8
59.01379	9.9
61.98819	2.1
66.30441	0.5
69.03460	1.2
69.64411	2.8
71.01003	1.1
71.01385	16.7
71.11282	0.5
71.14615	0.6
72.01706	0.6
72.19579	0.5
72.99308	100.0
73.02950	1.9
75.00847	0.6
81.03439	0.6
83.01388	1.6
83.05016	0.6
85.02948	1.8
87.00875	22.3
87.02463	0.5
89.02452	2.5
95.04984	0.7
97.02945	1.1
98.00087	1.3
99.00877	5.0
101.02455	2.7
102.98615	0.8
103.05534	1.3
111.00874	1.8
113.02466	2.1
113.06082	1.1
115.00360	4.2
119.03504	0.8
119.05025	1.5
121.02961	5.3
121.06594	0.8
125.02482	1.4
135.02977	0.9
135.04491	1.0
141.01907	0.8
142.99867	16.7
144.00171	0.8
145.01436	3.5
147.04523	24.8
148.04878	1.7
161.00958	1.2
161.04596	0.6
163.03952	0.6
163.11319	0.8
173.09596	0.7
175.11325	1.0
177.04070	0.5
179.07074	0.7
185.00995	0.7
187.11237	0.8
189.04066	1.2
189.12939	1.2
202.09982	0.7
205.03537	9.1
217.10382	0.6
217.12344	9.3
218.12631	1.1
219.10156	0.7
233.03168	0.8
233.11903	1.5
233.28636	0.6
235.06108	2.5
235.13451	0.7
249.06160	7.6
250.06577	0.7
256.10532	0.6
261.11353	5.5
262.11685	0.7
279.12311	1.8
281.13980	2.3
293.05151	12.6
294.05545	0.9
297.09814	0.8
397.18463	0.7
399.44519	0.6
409.08237	0.5
441.10568	4.7
441.17670	15.5
442.10834	0.7
442.17932	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	439.174
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	27.1
61.38854	3.2
61.98833	22.7
63.73561	3.0
70.01807	14.0
70.38852	3.3
71.01378	13.5
72.99317	7.4
73.02944	7.3
75.00867	6.4
83.01372	5.3
85.02974	5.5
87.00864	5.8
89.02436	12.1
96.16200	3.1
98.19920	3.6
99.00900	4.5
101.02441	8.3
109.02856	3.1
113.02454	7.3
119.03523	5.1
120.99680	5.3
121.02929	6.2
122.03736	7.6
125.02425	10.1
125.10717	3.9
129.29427	3.4
135.02982	4.7
137.02477	8.3
149.02432	21.7
150.03229	50.6
151.03859	5.2
152.99532	3.5
161.04642	4.5
165.01881	24.7
165.05566	56.0
165.22041	3.3
180.04237	23.5
195.06618	100.0
196.06892	6.6
205.05116	6.1
214.10353	3.3
233.04678	3.4
235.06100	11.1
243.08757	5.8
262.92636	3.4
321.15454	9.4
331.11728	11.4
371.53787	3.9
391.13898	11.3
397.63654	3.6
421.24548	6.3
439.11890	5.1
439.17288	53.6
439.25705	16.4
440.17517	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	439.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01712	1.3
61.98829	0.8
64.71014	0.5
68.45126	0.5
70.64173	0.5
71.01387	1.9
71.55016	0.6
72.99314	4.4
73.02937	1.0
82.78219	0.4
83.01383	0.8
85.02977	1.1
87.00919	1.2
89.02438	0.7
96.96038	1.0
101.02450	1.2
106.99321	0.5
110.02521	0.6
113.02438	1.1
117.40282	0.5
133.79483	0.5
135.78792	0.5
147.04520	3.6
151.00522	0.7
168.09924	0.5
200.13828	0.5
235.06093	0.8
235.17046	0.6
295.09799	1.4
388.00342	0.6
397.22134	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01712	1.3
61.98829	0.8
64.71014	0.5
68.45126	0.5
70.64173	0.5
71.01387	1.9
71.55016	0.6
72.99314	4.4
73.02937	1.0
82.78219	0.4
83.01383	0.8
85.02977	1.1
87.00919	1.2
89.02438	0.7
96.96038	1.0
101.02450	1.2
106.99321	0.5
110.02521	0.6
113.02438	1.1
117.40282	0.5
133.79483	0.5
135.78792	0.5
147.04520	3.6
151.00522	0.7
168.09924	0.5
200.13828	0.5
235.06093	0.8
235.17046	0.6
295.09799	1.4
388.00342	0.6
397.22134	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.2626
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01393	0.6
61.90213	0.3
61.98825	0.6
71.55087	0.5
78.95906	18.3
85.19657	0.4
94.79843	0.4
100.75760	0.4
120.94309	0.4
122.00122	0.5
140.01183	4.9
149.43053	0.3
152.99577	1.4
160.94156	0.4
190.98694	0.4
196.03799	10.0
214.04910	1.9
241.21719	100.0
242.22050	9.6
438.26202	20.7
439.26715	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.0701
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53700	0.4
54.64584	0.4
59.01381	24.4
61.98831	1.0
69.36482	3.3
71.01376	1.6
72.99321	2.2
84.93880	0.6
86.95448	0.5
87.00879	0.7
87.33346	0.4
96.95997	0.4
98.19869	0.9
99.00821	0.5
99.92587	38.3
100.92600	2.2
100.93382	2.7
101.02441	0.7
103.00368	9.4
113.02421	0.6
114.94926	3.5
115.92078	30.5
116.92861	100.0
117.92864	5.9
140.92877	0.9
146.43295	0.5
147.04485	1.1
154.94366	0.4
156.92371	0.6
158.93913	15.9
159.93971	1.1
160.54823	0.5
164.94675	0.4
173.09666	0.7
174.93289	0.8
175.11307	0.8
184.91835	1.7
185.92644	0.7
202.92807	1.1
262.13779	0.5
273.05820	1.5
276.45322	0.4
277.08374	0.5
291.06915	1.6
295.09750	0.8
305.04907	1.4
317.04947	1.9
318.04962	0.4
319.02988	0.5
335.05911	25.7
336.06146	4.4
353.07034	1.1
377.06998	3.2
378.07358	0.5
421.05991	2.5
422.05936	0.6
439.07028	6.4
440.07190	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.0756
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11430	2.1
51.40988	1.8
59.00370	1.9
59.01371	7.9
59.45101	1.9
61.98812	4.6
65.97858	2.0
68.94135	2.0
69.83701	11.2
71.01382	9.1
72.99329	3.2
73.02938	2.3
78.95897	11.0
79.95749	2.4
85.02977	3.4
87.00864	6.9
89.02433	4.1
96.96011	100.0
96.96941	24.3
98.19946	2.1
99.00865	3.4
101.02448	3.5
113.02478	3.7
115.00425	2.6
120.34633	1.9
130.08696	3.0
130.19136	2.0
141.01981	5.7
183.71611	2.4
191.87587	2.0
204.21072	2.0
270.79468	2.2
464.67264	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	439.0742
Annotation	Unknow
Peak:m/z	Relative Intensity
60.51033	0.4
62.96403	0.5
69.77574	0.4
70.06310	1.8
78.95902	30.5
79.95734	2.1
96.96008	100.0
96.96958	65.2
98.20005	0.6
98.53410	0.4
102.83974	0.4
147.43871	0.5
170.79636	0.5
319.02664	0.5
439.08456	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.0741
Annotation	Unknow
Peak:m/z	Relative Intensity
63.66587	0.4
71.20496	0.6
71.20825	0.5
74.32923	0.4
74.60630	0.3
78.95905	25.3
79.95726	2.1
94.04803	0.4
96.96006	100.0
96.96956	48.5
205.08261	0.4
212.16260	0.4
439.08377	1.0
454.79248	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.0882
Annotation	Unknow
Peak:m/z	Relative Intensity
55.00645	0.5
55.01859	1.8
59.01379	3.5
62.79836	0.6
70.93011	0.9
70.93369	1.4
71.01380	18.5
72.99305	23.5
73.02950	1.5
75.74126	0.6
83.01387	6.9
85.02966	0.8
87.00877	28.8
92.30415	0.6
98.00048	0.8
98.20570	0.7
99.00885	6.2
99.58324	0.6
101.02438	1.6
103.05542	3.5
113.02527	1.0
115.00381	1.7
119.05003	0.7
127.00364	4.9
127.81271	0.6
129.01968	0.8
142.99857	11.0
147.04520	100.0
148.04832	5.4
180.85507	0.7
235.06105	41.1
236.06461	3.9
273.02499	1.0
287.24246	0.7
439.08936	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.0881
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	2.5
57.35258	0.6
59.01377	2.2
61.98824	1.0
69.03461	1.0
69.26649	6.4
69.60967	0.6
71.01383	23.2
72.99310	29.0
79.63039	0.6
83.01390	9.3
83.41981	0.7
87.00879	39.3
88.01250	0.7
88.85608	0.6
99.00887	8.8
103.05535	5.2
115.00388	2.7
119.05055	1.3
127.00381	6.6
129.02007	1.6
142.99875	14.2
145.50017	0.7
147.04529	100.0
148.04869	4.5
177.04019	1.7
235.06107	37.9
236.06473	2.8
273.02606	1.7
291.03506	1.3
439.08582	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24900	0.4
52.30932	0.4
55.01899	0.4
57.03460	1.1
59.01381	6.7
61.98835	7.8
71.01375	3.3
71.21518	0.4
71.54575	0.5
72.99329	1.3
73.02946	1.0
75.00887	0.6
83.01395	0.7
83.05031	0.4
85.02971	1.0
87.00889	1.2
89.02448	2.2
93.03459	2.7
95.01398	0.6
95.05025	0.5
96.96033	1.7
96.96966	0.7
99.00903	0.6
101.02449	1.4
103.60648	0.4
107.05009	0.5
109.02979	1.3
111.00898	0.8
113.02482	1.0
119.03526	0.5
119.05035	0.6
120.99673	0.8
121.02956	3.3
122.03735	8.9
122.29140	0.5
123.00896	0.8
123.04513	1.6
124.01655	0.6
125.02454	6.0
127.00396	1.0
127.89075	0.4
132.02205	0.4
133.02968	0.9
133.06581	2.0
134.03673	0.4
135.02965	0.6
136.01711	1.0
137.02449	6.5
137.06058	0.8
138.05649	0.5
139.04073	0.6
147.04521	0.8
149.02441	23.6
150.03226	58.8
151.00418	0.7
151.03909	3.6
153.01903	0.9
154.15448	0.4
161.02443	0.7
161.04564	0.9
161.06062	0.5
163.04019	0.8
164.01231	0.4
164.04799	5.7
165.01929	34.2
165.05565	60.4
166.02353	1.4
166.05901	3.5
167.03452	1.1
168.06668	0.5
169.01414	2.7
175.02499	0.4
175.04013	0.6
177.02017	0.6
179.03549	1.3
179.05742	0.5
180.04286	27.2
181.04803	2.4
183.06738	0.5
195.06622	100.0
196.06969	6.6
199.07600	0.5
210.05298	0.4
215.07036	0.5
225.07692	1.6
233.08202	0.9
243.08701	2.4
273.07584	0.5
278.10413	0.5
301.07220	2.1
301.10358	0.5
305.06760	0.7
316.09402	1.4
331.07849	0.5
331.11884	10.1
332.12216	1.0
377.06805	0.5
379.06528	0.6
391.14001	16.0
392.14243	2.0
439.08163	0.9
439.16745	3.1
440.16394	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.1617
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38251	1.5
59.01381	58.5
61.98831	100.0
69.44240	11.4
71.01397	7.3
72.99306	4.7
73.02912	1.4
74.71716	1.3
85.02917	2.3
87.00878	2.6
98.20650	3.2
99.00846	2.3
101.02486	2.9
113.02454	3.6
115.17590	1.4
118.06624	4.5
123.06863	8.8
146.06129	21.7
147.04506	3.9
151.87469	1.7
211.13391	3.9
227.08295	11.2
227.11954	1.9
235.06378	1.4
235.57585	1.5
241.09850	13.6
242.10513	4.3
255.11406	10.6
255.97748	1.5
256.11966	1.6
269.12924	6.4
270.13684	7.8
281.47018	1.6
289.16623	3.8
302.12692	6.5
375.20383	2.3
378.18469	1.7
394.21255	13.5
420.19321	2.8
438.20361	67.7
439.06668	6.8
439.21179	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	438.1617
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38251	1.5
59.01381	58.5
61.98831	100.0
69.44240	11.4
71.01397	7.3
72.99306	4.7
73.02912	1.4
74.71716	1.3
85.02917	2.3
87.00878	2.6
98.20650	3.2
99.00846	2.3
101.02486	2.9
113.02454	3.6
115.17590	1.4
118.06624	4.5
123.06863	8.8
146.06129	21.7
147.04506	3.9
151.87469	1.7
211.13391	3.9
227.08295	11.2
227.11954	1.9
235.06378	1.4
235.57585	1.5
241.09850	13.6
242.10513	4.3
255.11406	10.6
255.97748	1.5
256.11966	1.6
269.12924	6.4
270.13684	7.8
281.47018	1.6
289.16623	3.8
302.12692	6.5
375.20383	2.3
378.18469	1.7
394.21255	13.5
420.19321	2.8
438.20361	67.7
439.06668	6.8
439.21179	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	437.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42852	1.0
56.76478	1.0
57.03447	3.1
58.62881	1.0
59.01378	100.0
61.98832	5.8
62.35702	1.1
64.53128	1.0
69.03455	1.8
69.53259	8.0
71.01385	11.2
72.99296	3.4
73.02946	5.0
74.02530	1.2
75.00886	3.1
81.03444	1.2
82.02993	3.6
83.01385	3.5
85.02935	5.6
87.00885	6.6
87.04514	2.3
89.02439	5.7
94.03004	1.2
95.01405	1.2
96.04574	2.9
97.02947	2.9
99.00848	5.0
99.04522	1.8
99.64010	1.1
101.02410	7.2
101.06091	2.0
105.01932	8.0
109.02953	2.0
111.04527	1.3
113.02444	3.4
119.04996	3.5
120.99644	2.0
122.03740	3.1
122.06146	1.7
123.04578	2.0
123.08169	1.6
125.02453	2.6
131.03510	1.4
135.02988	1.6
135.04524	1.3
135.25247	1.0
136.03989	1.3
138.05605	95.7
139.05914	4.9
145.02937	5.2
146.73056	1.1
147.02995	1.0
149.02422	4.2
149.04556	4.7
150.03220	2.5
151.03978	1.9
161.04559	3.6
163.00291	1.4
163.03986	5.0
164.04805	2.9
165.04187	1.5
165.05566	2.2
166.02759	1.5
167.03462	3.7
177.01930	2.8
179.07143	6.4
181.05048	2.0
187.09772	4.3
188.07114	1.4
201.11237	1.2
203.08282	1.3
203.12933	1.4
215.09204	3.8
216.10236	1.2
218.06805	1.3
227.09123	1.5
231.10056	1.2
233.10280	5.0
245.09227	3.4
251.05595	1.8
261.12433	6.8
275.18536	1.1
281.76569	1.1
287.10266	2.2
289.07211	2.2
305.11423	41.9
306.11765	5.1
317.06924	1.5
319.13956	1.1
319.17618	3.4
319.21149	2.0
347.07697	11.5
348.08319	1.5
419.22284	1.8
437.10632	2.9
437.15332	3.4
437.24185	10.8
438.24231	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.1252
Annotation	Unknow
Peak:m/z	Relative Intensity
56.25003	0.4
59.01379	1.1
61.98832	100.0
62.78077	0.4
64.01076	0.4
69.37517	3.3
71.01382	0.6
71.87630	0.4
78.95901	0.5
85.02953	0.5
86.03691	0.4
89.02451	0.4
96.95996	1.0
96.96975	1.3
232.49083	0.4
254.38367	0.4
308.44922	0.4
361.73938	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.1617
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	0.3
57.03484	0.3
57.61082	0.3
59.01382	1.2
59.42933	0.3
61.98829	100.0
69.03448	0.4
69.52924	1.4
69.53349	0.8
71.01384	2.2
72.99306	3.9
73.02962	0.3
76.81967	0.3
83.01404	0.7
85.27586	0.3
87.00864	2.7
89.02436	0.7
96.95903	0.3
99.00895	0.9
101.02467	0.4
102.76567	0.3
113.02367	0.3
116.63313	0.3
121.02971	0.4
127.00403	0.7
142.99869	1.0
147.04527	8.8
195.88405	0.3
235.06148	3.5
263.84702	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1678
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44442	1.4
54.47223	1.3
55.01873	4.1
57.03442	4.6
59.01381	41.7
61.98829	11.4
69.53906	2.3
69.54317	7.1
71.01384	39.1
72.99294	4.7
73.02950	19.2
75.00475	1.9
75.00877	21.5
80.96501	3.3
82.96092	4.8
82.99741	1.5
83.01388	10.8
83.05043	2.3
83.24490	1.7
85.02946	20.5
87.00880	6.3
87.04548	2.6
87.13563	1.3
89.02449	16.9
95.01340	3.3
97.02938	1.6
98.19940	1.5
99.00873	6.3
101.02444	38.0
108.02153	2.1
109.02936	1.9
113.02442	14.4
114.02825	1.5
117.01922	3.5
119.03505	3.7
119.04968	1.6
123.04533	2.9
125.02424	3.0
125.64625	1.5
134.23766	1.3
135.02997	77.8
136.01697	2.1
136.03273	1.7
139.07588	2.3
149.02412	4.1
150.03212	3.6
151.03946	2.3
152.01157	3.2
157.08679	3.1
161.04520	5.2
163.03960	1.8
165.05560	2.1
166.02669	2.2
167.03513	13.4
181.05054	3.5
189.41496	1.5
221.11955	2.0
225.07919	1.5
275.14975	7.3
289.07297	1.8
303.09879	3.7
319.13968	100.0
320.14240	11.1
331.17407	3.2
347.07642	5.4
347.16220	1.6
348.08295	1.8
349.18756	2.2
437.09879	7.3
437.16394	57.2
437.23761	7.8
438.09991	1.4
438.16705	7.9
438.24173	1.9
453.31683	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1678
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44442	1.4
54.47223	1.3
55.01873	4.1
57.03442	4.6
59.01381	41.7
61.98829	11.4
69.53906	2.3
69.54317	7.1
71.01384	39.1
72.99294	4.7
73.02950	19.2
75.00475	1.9
75.00877	21.5
80.96501	3.3
82.96092	4.8
82.99741	1.5
83.01388	10.8
83.05043	2.3
83.24490	1.7
85.02946	20.5
87.00880	6.3
87.04548	2.6
87.13563	1.3
89.02449	16.9
95.01340	3.3
97.02938	1.6
98.19940	1.5
99.00873	6.3
101.02444	38.0
108.02153	2.1
109.02936	1.9
113.02442	14.4
114.02825	1.5
117.01922	3.5
119.03505	3.7
119.04968	1.6
123.04533	2.9
125.02424	3.0
125.64625	1.5
134.23766	1.3
135.02997	77.8
136.01697	2.1
136.03273	1.7
139.07588	2.3
149.02412	4.1
150.03212	3.6
151.03946	2.3
152.01157	3.2
157.08679	3.1
161.04520	5.2
163.03960	1.8
165.05560	2.1
166.02669	2.2
167.03513	13.4
181.05054	3.5
189.41496	1.5
221.11955	2.0
225.07919	1.5
275.14975	7.3
289.07297	1.8
303.09879	3.7
319.13968	100.0
320.14240	11.1
331.17407	3.2
347.07642	5.4
347.16220	1.6
348.08295	1.8
349.18756	2.2
437.09879	7.3
437.16394	57.2
437.23761	7.8
438.09991	1.4
438.16705	7.9
438.24173	1.9
453.31683	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
55.32625	1.6
56.17127	1.7
59.01383	24.7
61.01812	3.2
61.98830	100.0
68.99817	2.0
69.03465	4.1
70.09770	6.5
71.01386	15.0
72.32562	1.8
72.99315	7.2
73.02923	4.1
74.98163	1.9
83.01384	3.7
85.02943	3.7
87.00867	9.9
88.01111	1.9
89.02454	3.0
93.03480	2.4
95.01324	2.0
99.00884	6.7
101.02456	4.2
101.22610	1.6
102.94160	1.8
105.01952	12.9
109.02943	5.2
111.00891	6.0
113.02435	3.7
115.00348	3.6
117.01935	2.5
119.04992	8.9
121.02958	3.2
123.00909	3.4
125.02441	3.1
137.02434	3.4
138.02885	2.0
139.00406	4.4
139.04045	2.2
141.01945	2.7
145.78369	1.8
147.04504	20.2
148.04851	14.4
150.51254	1.9
151.00294	2.8
153.02007	2.2
163.03998	10.7
165.01889	11.1
166.02284	4.5
169.01468	2.2
183.03018	2.5
184.03287	3.6
211.02504	4.6
212.02788	3.9
272.02350	1.9
290.06000	2.8
301.03134	2.6
303.03568	4.4
304.04245	2.7
336.92719	2.0
337.32983	2.1
436.08450	4.1
436.22687	3.6
437.23935	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	437.1576
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	85.4
60.70144	4.6
61.98825	100.0
71.01379	55.4
71.54180	6.5
72.99292	16.2
73.02938	18.4
75.00864	18.9
81.03417	8.3
83.01388	6.4
85.02937	14.4
87.00869	20.6
89.02438	41.7
96.95980	13.6
97.02961	6.0
99.00875	10.6
101.02447	45.7
109.02968	5.1
113.02441	27.0
113.06057	7.2
119.03477	13.0
121.03014	5.7
123.04522	6.2
125.02441	27.3
127.00398	13.1
131.03526	7.1
135.03004	49.0
137.02441	10.0
138.05603	7.0
139.07690	5.6
143.03549	7.2
149.02417	14.4
150.03140	8.1
151.03995	12.8
160.46005	5.2
161.04582	5.9
163.04015	7.5
165.02025	6.5
165.05554	7.5
167.03488	14.1
170.24019	5.2
175.02455	14.5
177.01842	5.8
179.05600	9.6
189.01970	9.4
190.02762	6.8
191.03455	14.5
195.06534	6.7
195.47231	4.9
197.04543	14.0
215.09151	5.9
217.01411	13.5
221.11717	6.3
257.10056	6.8
275.05530	17.9
280.43274	5.1
289.07010	8.1
303.09741	14.8
319.13953	38.6
363.68311	5.9
437.10513	25.5
437.15887	89.4
438.16046	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	436.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	1.6
61.98828	100.0
65.29288	0.4
65.68349	0.3
70.89429	0.9
71.01383	0.8
72.97532	0.5
72.99303	1.0
73.02941	0.7
87.00879	0.8
89.02448	0.7
96.96014	1.0
99.00912	0.7
101.02414	0.7
113.02467	0.6
125.02494	0.6
127.00431	0.4
165.05618	1.0
166.05937	0.6
175.02559	0.6
242.94164	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01105	4.1
59.01379	39.7
60.01704	4.8
61.01804	3.6
61.98830	100.0
69.03437	1.9
69.74809	5.7
69.75197	5.0
71.01385	11.5
71.65965	1.8
72.99294	5.7
73.02944	4.0
83.01395	4.6
85.02924	4.6
87.00870	4.4
89.02441	3.5
99.00874	2.4
101.02431	3.9
102.89912	1.9
105.01920	4.0
109.02934	5.0
111.00897	3.3
111.04498	2.4
113.02464	3.8
125.09698	5.3
130.94136	2.0
138.09950	2.6
139.00505	2.4
147.04482	8.4
148.04875	5.8
155.10780	27.1
156.11118	22.1
158.65483	2.3
165.01901	9.0
179.03383	2.3
179.07002	2.5
187.09724	6.5
194.05858	3.5
199.09743	11.2
200.10051	13.1
209.08237	2.6
211.02432	3.6
217.62138	2.3
236.14009	2.3
262.11948	2.9
273.02893	2.4
274.03250	4.1
280.13022	5.1
301.03131	4.8
302.03287	5.9
303.03592	7.9
304.04175	3.5
318.12753	6.6
436.08603	12.3
436.15399	15.0
436.22372	4.7
437.15628	7.7
437.23682	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	435.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44521	0.9
55.01870	3.0
57.03440	3.5
59.01382	100.0
60.01717	1.1
61.98827	3.4
62.06536	0.9
65.00328	1.4
68.99805	5.6
69.03454	2.7
69.27345	1.0
71.01384	24.7
71.55814	1.6
72.01700	0.9
72.99312	7.4
73.02952	6.1
75.00859	1.7
81.03465	8.3
83.01393	9.6
85.02953	9.6
87.00877	22.2
87.04525	1.1
89.02444	4.4
93.03458	6.6
95.01399	3.3
96.99307	1.1
97.02935	3.2
99.00886	7.6
101.02456	6.0
103.05519	2.4
107.01379	1.7
109.02946	3.4
111.00883	16.5
111.04483	1.1
113.02441	7.0
115.00351	3.2
117.01939	8.3
119.03553	1.1
119.05038	11.7
121.02955	2.5
123.00922	1.2
123.04529	17.9
125.02458	12.3
127.00349	3.2
129.01927	3.4
135.00894	2.2
137.02490	4.8
139.00383	7.1
141.01929	2.8
147.04527	59.2
148.04825	2.7
149.02454	1.0
149.99550	1.8
151.00362	3.6
153.01958	2.0
154.99898	1.0
157.00224	1.3
157.01408	9.0
157.60672	1.0
161.04581	2.4
161.05997	1.2
165.01941	9.7
165.05595	2.5
167.03499	45.6
168.03795	1.8
169.01410	3.0
179.03482	4.2
181.01479	1.3
183.02914	5.6
187.07843	1.0
189.05612	2.3
211.02536	6.4
251.16739	1.1
273.07690	52.3
273.20624	8.9
274.07962	3.5
274.21085	1.5
286.04065	1.1
287.04443	2.8
288.04761	1.2
305.06580	4.5
317.19482	1.6
333.19061	4.1
359.07785	1.9
375.20065	1.6
417.25473	1.2
435.12527	4.4
435.20914	2.1
435.26276	31.5
436.26273	3.7
447.55045	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1294
Annotation	Epiafzelechin 5-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
55.01849	0.7
59.01377	10.5
61.98822	1.5
68.99818	1.2
69.20504	1.8
69.20924	6.9
71.01374	10.7
71.43287	0.7
72.99289	2.7
73.02946	2.0
75.00870	1.0
77.57520	0.7
78.54311	0.7
83.01379	4.6
85.02945	4.5
87.00874	13.4
89.02433	2.2
93.03453	2.0
93.18072	0.7
95.01398	0.9
97.02913	1.1
98.20712	1.5
99.00880	3.2
101.02438	2.7
103.05585	1.1
107.05028	46.0
108.02138	1.2
108.05396	1.8
109.02935	1.9
111.00898	8.8
113.02448	3.0
115.00349	2.5
117.01930	4.3
119.21858	0.8
121.02959	21.9
122.03741	35.7
123.04106	1.2
124.01633	1.4
127.00352	1.6
129.01962	1.9
137.02444	5.9
139.00362	4.0
147.04514	27.9
148.04848	1.4
150.03214	3.7
151.00394	2.3
151.03987	1.6
153.00703	1.3
153.01932	21.9
154.02687	4.5
154.99915	1.1
157.01419	6.3
161.06026	1.3
165.01901	1.9
169.01447	0.9
182.02240	3.2
183.02866	1.9
205.96536	0.9
211.02483	1.6
229.08679	68.4
230.08995	6.6
255.06631	1.9
272.06805	1.1
273.07675	44.1
274.08066	5.4
299.07684	6.3
305.06607	2.5
315.08932	1.0
401.87491	0.9
407.40256	0.9
435.12930	100.0
435.25842	4.5
436.13278	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	435.0965
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01905	0.7
57.03457	1.0
59.01380	10.0
61.98592	0.6
61.98831	8.0
63.40828	0.5
68.19080	0.6
69.03440	1.1
69.35172	5.4
71.01382	11.2
72.99313	1.6
73.02955	3.2
74.68462	0.6
78.98594	6.5
79.95733	9.2
80.96516	67.0
81.03469	0.8
83.01390	1.4
85.02952	4.2
87.00882	3.4
87.04507	0.7
89.02441	3.6
91.05524	1.7
94.98091	18.0
95.01436	0.7
97.02936	2.3
99.00886	0.9
101.02460	4.4
106.98077	2.9
107.01363	0.8
113.02456	1.3
119.03460	1.3
122.97618	3.0
125.02428	3.9
126.61278	0.6
127.04020	1.3
134.97583	6.2
135.02971	1.4
135.04581	1.4
136.99133	1.6
137.06104	1.2
148.99139	5.1
149.77090	0.6
151.00417	1.0
152.98640	5.4
164.98613	10.5
165.04100	0.9
165.05589	1.3
186.64229	0.6
206.99660	2.2
225.00737	13.3
299.04425	4.4
317.05362	4.9
317.12296	0.8
435.09634	100.0
435.22183	2.0
436.09952	11.8
436.16400	0.8
436.18555	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.0931
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04837	0.8
55.01865	2.6
57.03437	2.7
59.01377	10.0
66.09593	0.8
68.99815	4.3
69.03445	2.3
69.75396	4.3
69.75810	1.3
71.01381	26.9
72.99310	8.9
73.02943	5.0
75.00867	2.4
76.04329	1.0
81.03454	2.5
83.01386	13.0
85.02952	8.6
87.00877	41.7
89.02442	4.7
95.01395	2.9
96.99273	1.1
97.02939	2.1
99.00877	10.9
101.02426	3.2
103.00399	1.3
103.05533	4.9
109.02944	1.9
111.00881	36.6
111.04550	1.4
113.02451	7.9
115.00375	7.1
115.34587	0.8
117.01941	16.6
119.05023	2.1
123.00875	1.6
125.02460	2.7
127.00369	6.6
129.01930	10.3
137.02437	3.7
139.00362	13.1
140.02744	0.9
141.01947	2.9
142.99840	1.5
146.22824	0.9
147.04520	100.0
148.04884	5.4
151.00366	1.5
153.01912	1.8
154.99867	2.5
157.01418	18.8
158.01601	1.2
161.06058	5.2
165.01929	6.5
167.03419	1.7
169.01445	1.4
176.62355	1.0
183.02948	3.4
189.05565	1.6
211.02426	4.0
273.07556	1.6
305.06659	8.2
359.07690	1.9
375.62561	1.0
417.08005	1.8
435.09326	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	435.0933
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	6.4
57.03415	6.0
59.01380	61.5
60.01694	2.1
61.98804	6.5
67.01851	2.7
68.99799	6.3
69.03473	7.8
69.58669	12.0
71.01018	2.6
71.01381	45.2
71.04990	1.7
72.99305	11.5
73.02954	16.4
73.32506	1.5
73.35440	1.4
74.62510	1.7
75.00859	3.8
76.92929	2.0
81.03440	3.8
83.01394	15.5
83.05000	3.2
85.02955	41.8
87.00427	2.1
87.00884	29.6
87.04456	1.9
87.89796	1.4
89.02444	14.2
93.03429	5.7
95.01364	8.7
95.05013	2.4
96.99329	1.9
97.02909	6.4
99.00888	18.4
101.02445	25.8
103.05490	2.9
107.01352	2.2
108.02165	1.7
109.02981	13.3
111.00880	20.5
111.04488	3.2
112.01177	1.9
112.98797	2.1
113.02451	20.6
115.00336	4.7
117.01878	7.5
119.03448	4.7
119.04983	7.1
120.99635	2.0
121.02910	5.9
123.00906	7.8
123.04479	2.9
124.01604	2.3
125.01686	1.7
125.02448	21.3
127.00359	9.0
127.03957	2.1
129.01884	6.5
135.00806	6.4
135.02960	3.4
136.01588	2.9
137.02438	18.9
139.00352	16.0
139.03958	2.8
141.01974	7.8
147.04524	100.0
148.04768	5.5
151.00322	7.6
153.01846	6.6
154.99843	2.5
155.03389	2.1
155.10689	6.3
157.01447	9.1
157.12263	2.2
159.02971	1.7
161.04497	6.1
161.05913	3.0
163.03943	2.4
165.01936	48.0
165.05560	7.9
166.02374	3.2
167.03371	2.1
169.01314	7.3
176.43890	1.6
176.72133	1.5
180.04218	4.6
181.01329	5.2
183.02963	22.4
185.00789	1.9
187.13237	2.1
193.01395	2.5
195.06651	7.7
201.07655	1.8
211.00706	2.4
211.02461	28.3
212.02744	2.4
213.11168	2.1
225.07652	4.0
228.04221	3.9
229.05035	4.1
231.15852	2.3
255.02602	2.3
255.15797	3.6
257.03522	2.1
269.02747	1.7
271.02438	3.5
272.02756	3.5
273.02917	6.6
287.03836	2.1
287.07687	2.0
290.06149	3.0
300.02768	4.2
301.03036	6.6
302.03241	10.8
303.04071	8.1
305.06412	6.1
311.09067	3.6
317.16119	2.9
317.19449	3.9
332.12451	1.7
349.18408	4.6
359.07568	4.6
373.22018	1.8
391.10153	3.6
393.21027	4.9
417.08118	2.9
417.20773	3.8
435.09192	15.5
435.22031	75.3
436.22650	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	435.093
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	2.8
57.03434	3.5
58.55709	1.0
59.01105	1.8
59.01377	19.5
61.98830	1.7
68.99813	4.8
69.03429	2.2
69.79632	7.2
71.00999	2.2
71.01378	27.9
72.99312	9.5
73.02965	7.4
75.00857	3.5
83.01394	10.1
85.02944	8.0
86.54645	1.2
87.00872	40.4
87.02443	1.2
89.02448	5.1
95.01384	2.4
95.35747	1.0
97.02987	1.6
98.19908	1.5
99.00876	11.0
99.66785	1.2
101.02437	4.5
103.00362	1.3
103.05541	3.9
107.05044	1.9
109.02951	4.5
111.00076	1.5
111.00874	31.7
112.01225	1.4
113.02454	8.8
114.27409	1.1
115.00348	9.0
117.01945	14.5
119.04988	2.1
121.02921	2.0
123.00867	2.0
125.02429	4.0
127.00362	4.0
129.01906	8.0
133.06573	1.7
135.00912	1.7
137.02399	4.4
139.00371	13.6
141.01929	5.2
147.04518	100.0
148.04851	4.5
151.00359	3.3
151.03912	3.0
154.99858	1.1
157.01405	18.7
161.06035	4.1
165.01917	11.5
169.01385	2.5
173.06088	1.9
181.01379	2.0
183.03004	5.7
189.05533	4.0
202.70555	1.2
205.42273	1.2
211.02486	5.7
273.07642	2.1
273.20892	1.2
299.92450	1.3
305.06644	8.4
327.91705	1.2
359.07806	2.5
377.08414	1.2
381.01025	1.3
393.21268	1.9
435.09015	2.0
435.21982	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	434.0937
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16010	5.6
59.01384	51.0
61.98830	100.0
71.01372	42.8
73.02953	12.7
73.52444	4.4
74.02453	5.6
75.00867	18.9
77.74805	5.3
80.96518	5.9
83.01409	6.0
85.02955	20.3
87.00872	9.7
89.02425	17.4
95.01393	6.8
98.19772	11.8
99.00888	9.6
101.02421	17.1
110.86280	5.5
112.41619	5.5
113.02451	17.5
121.02965	54.3
122.03271	5.4
123.04455	5.7
125.02496	5.9
135.04454	6.1
137.02451	13.6
151.00423	9.1
169.75233	4.7
176.63243	4.9
179.26382	5.2
181.05052	7.0
229.08669	5.2
249.06091	34.0
327.08279	6.8
357.13342	15.5
371.09744	76.2
372.10233	6.5
434.20633	8.3
435.09103	10.6
435.18073	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	435.093
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24943	1.1
52.49518	1.2
55.01858	3.6
55.98532	1.1
57.03447	1.7
58.00593	1.3
59.01377	24.8
60.52597	1.1
61.98834	11.0
63.45505	1.2
66.07857	1.2
68.99805	3.3
69.03437	2.9
69.75683	3.0
69.76098	3.6
71.01378	26.7
72.99316	10.6
73.02924	5.8
75.00871	1.8
81.03471	1.3
83.01385	12.3
83.02361	1.2
83.05031	1.3
85.02943	7.0
87.00874	34.7
89.02458	5.5
89.85558	1.2
93.03430	2.0
95.01373	2.4
97.02931	3.2
99.00883	8.7
101.02448	6.4
103.00365	1.3
103.05488	6.1
109.02935	2.9
111.00883	25.8
112.98808	1.5
113.02465	7.2
115.00378	7.8
117.01936	16.2
119.04993	1.9
121.02949	3.0
123.00889	2.8
125.02445	4.1
127.00379	7.0
129.01950	7.7
133.06491	1.4
135.00847	2.0
137.02440	4.3
139.00383	9.8
141.01962	2.5
142.99812	1.3
147.04521	100.0
148.04861	6.1
151.00322	1.6
153.01862	1.6
154.99883	2.3
157.01410	18.4
161.04636	1.2
161.06055	3.6
165.01904	10.7
169.01469	2.0
181.01483	1.5
183.03038	6.4
185.47260	1.1
189.05511	1.4
211.02458	6.5
224.11554	1.2
225.43114	1.2
229.08717	1.6
248.71059	1.5
305.06674	7.7
359.07578	2.7
375.13947	1.3
375.95636	1.2
417.07895	1.8
435.08636	2.7
435.21954	1.8
435.25934	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	1.3
58.00584	0.9
59.01381	100.0
61.98828	7.1
68.80541	0.6
69.31224	1.7
69.31635	4.6
71.01388	11.6
73.02966	3.9
83.01382	2.3
83.38269	0.7
85.02962	4.2
87.00866	1.7
89.02455	5.5
95.01402	1.0
97.02968	0.9
98.20663	1.6
99.00897	1.7
101.02444	11.6
105.01939	1.5
107.01379	1.8
108.02164	1.6
109.02973	1.5
111.00901	0.8
111.04560	0.9
113.02471	4.6
113.83714	0.7
119.03496	2.5
119.05043	2.0
121.02975	1.8
127.00404	0.8
131.03629	0.7
135.00871	1.3
143.03557	1.5
145.02965	0.9
148.01657	0.9
151.00388	7.7
154.99866	1.1
161.04552	4.7
163.00363	1.4
163.04031	1.7
178.99899	3.2
179.05600	1.2
199.03972	1.3
211.03978	1.1
227.03508	1.8
243.02951	8.7
244.03325	1.2
245.04536	1.2
254.02275	1.6
255.00226	0.9
255.02951	20.3
271.02472	40.1
271.19153	1.8
272.02847	4.0
273.03879	0.8
283.02509	1.2
287.04099	3.6
299.02051	1.7
300.02744	75.5
301.03427	29.2
302.03897	1.9
373.22324	3.8
391.23337	2.4
433.07697	39.2
433.19275	1.3
433.24884	5.5
434.08395	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	3.9
57.03454	3.8
57.57777	0.6
57.65375	0.6
58.00575	1.5
58.84745	0.6
59.01381	47.8
60.01711	0.8
61.98835	1.0
63.02377	0.8
65.00326	1.1
68.99834	1.3
69.03446	2.3
69.32098	2.2
69.32527	3.1
71.01382	55.8
71.05025	0.9
72.99313	2.8
73.02944	16.3
74.99076	0.8
75.00880	2.0
76.50698	0.6
81.03461	2.6
83.01389	9.4
83.05025	1.4
85.02950	24.2
86.03305	0.8
87.00866	3.7
87.04507	1.4
89.02444	16.4
89.85197	0.8
93.03474	1.2
95.01385	4.7
95.05020	0.6
97.02967	2.2
99.00880	8.5
99.04511	4.3
101.02448	36.1
107.01399	1.3
109.02944	1.1
109.06609	0.9
111.00871	3.4
112.98827	0.8
113.02450	21.6
114.02724	0.6
115.00350	1.3
119.03543	6.0
119.05028	12.7
120.99644	1.3
121.02985	1.0
123.00824	1.2
125.02454	3.3
126.88631	0.7
127.00390	5.7
127.07591	1.0
129.01997	1.4
131.03514	0.9
137.02495	1.0
139.00343	3.2
141.01985	1.3
143.03424	3.2
145.02939	1.4
149.02460	0.8
151.00363	7.6
153.01956	1.4
154.99852	2.7
157.01416	2.1
159.02972	4.0
161.04553	18.4
161.05894	1.4
161.09590	0.7
162.04834	0.7
163.04021	6.9
165.01869	1.2
166.99841	1.2
169.01431	0.9
173.08192	0.7
177.01839	0.7
177.12813	1.6
179.05611	1.3
181.01436	1.1
185.00784	0.9
203.09248	1.4
218.05983	0.8
235.16972	1.9
241.07379	1.0
245.10248	0.9
250.82494	0.7
269.03244	0.8
271.06125	11.4
271.19147	7.9
272.06430	1.7
287.04105	18.4
288.04395	1.1
300.02826	0.9
315.18161	0.8
321.06259	0.7
373.12845	1.7
373.17496	1.0
373.22327	1.2
391.23615	1.3
418.13016	1.0
433.24463	100.0
434.24820	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	433.1352
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	27.1
59.98891	0.7
61.98831	12.2
62.41396	0.7
71.01388	2.2
71.53656	0.7
72.99321	1.1
78.95895	1.5
84.24764	0.7
84.84934	0.7
85.02941	1.0
88.98796	1.7
89.02458	1.0
92.17087	0.7
95.01421	0.8
95.17426	0.7
96.95986	2.1
96.96970	1.1
101.02431	2.0
108.02160	1.1
109.02949	2.2
113.02438	0.9
120.02176	3.0
123.00895	0.9
123.04521	1.6
138.03230	1.5
148.01660	23.9
149.02075	1.3
151.04028	1.0
153.01910	0.9
153.05576	24.7
154.05917	0.9
160.21370	0.8
163.04008	35.3
164.04378	1.7
166.02710	3.4
178.02684	1.8
179.03514	1.7
181.05067	48.5
182.05432	2.2
193.05153	1.7
196.03741	1.6
197.04570	1.3
211.06113	100.0
212.06494	6.2
223.06152	1.0
246.12328	0.8
332.98148	0.8
340.65970	0.7
343.10129	0.8
386.28720	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	3.6
57.03439	7.1
58.00586	2.4
59.01378	96.6
61.98824	15.1
67.16455	1.4
69.03431	2.2
71.01381	52.2
71.54406	3.0
72.99310	3.4
73.02945	25.6
75.00858	1.9
83.01382	7.6
83.05041	2.2
84.52535	1.7
85.02951	15.7
87.00876	6.7
87.04559	2.4
89.02445	30.9
95.01380	4.1
97.02957	1.6
97.06602	2.9
99.00894	5.6
99.04536	1.5
101.02444	38.6
107.05008	2.4
111.00889	1.6
113.02449	15.8
113.06027	1.6
115.05516	2.3
119.03490	10.7
119.05003	2.1
120.99658	3.2
121.02951	6.6
123.04483	1.6
125.02439	5.1
131.03435	2.8
131.05031	2.8
135.03047	2.4
135.04515	7.9
137.02403	1.7
139.07620	2.8
140.08098	1.6
143.03477	3.3
149.02429	2.3
149.04584	2.9
149.06006	1.6
149.09727	2.9
158.03722	7.7
159.04506	100.0
160.04817	5.5
161.02458	2.6
161.04553	20.1
163.11354	2.0
167.03645	1.8
167.10764	8.1
175.03920	2.5
177.05560	36.0
178.05956	2.7
179.05573	4.7
189.05655	1.6
191.10721	1.6
193.08707	4.1
200.88567	1.9
209.11821	3.2
211.09731	24.9
235.09715	3.8
253.10757	4.9
268.78931	1.6
271.05969	2.0
271.19250	2.1
313.12567	1.8
315.14410	2.0
343.12906	1.8
373.15057	9.6
433.16763	7.2
433.24377	5.9
434.17093	2.1
444.20255	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	433.1139
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.8
59.01380	29.1
60.01708	1.1
61.01804	0.5
61.98833	6.0
63.02402	2.5
63.04107	0.4
65.00004	0.6
65.00322	6.5
68.75977	0.4
69.20495	0.3
71.01384	6.6
71.31999	0.4
72.99315	0.6
73.02946	2.6
80.18600	0.4
83.01380	4.7
85.02941	2.2
86.03258	0.4
87.00887	0.9
89.02445	4.1
90.35884	0.5
93.03460	7.6
94.03767	0.6
97.02972	0.5
97.68108	0.4
99.00890	1.1
101.02447	4.5
105.01947	0.7
107.01394	13.5
108.02171	1.2
108.99315	0.4
109.02972	0.9
113.02440	1.6
116.90511	0.4
119.03533	1.6
119.05027	40.1
120.05373	2.0
121.02940	1.0
123.00800	0.4
125.02457	1.6
135.00896	0.4
136.01633	0.4
137.02484	0.9
137.03609	0.4
143.05005	0.5
145.02937	0.9
151.00368	45.7
152.00743	1.8
155.64258	0.4
161.04500	1.1
163.03958	0.6
164.01143	0.9
165.01967	2.1
169.01407	1.2
175.00404	1.9
177.01924	5.2
179.05614	0.4
185.06067	1.0
187.04039	0.8
193.01419	0.8
227.07126	0.9
229.05072	1.0
243.02953	1.7
255.03004	3.0
270.04492	0.5
271.02652	6.7
271.06104	100.0
272.03207	0.8
272.06406	9.7
287.04062	1.2
295.06094	1.4
300.02722	11.0
301.03308	3.8
313.07117	1.7
373.22430	0.5
391.22482	0.6
421.94931	0.4
433.07187	5.3
433.19791	0.8
433.25046	2.9
434.07629	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1139
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45892	0.3
57.03449	0.5
59.01378	27.8
60.01712	1.0
61.01810	0.5
61.98828	5.2
63.02394	3.1
65.00322	6.7
69.03465	0.5
71.01379	5.0
71.55451	0.6
72.01742	0.3
72.99312	0.7
73.02941	2.1
79.24548	0.3
83.01385	6.1
85.02940	1.8
87.00878	1.2
87.04533	0.3
89.02450	3.6
93.03451	8.4
94.03764	0.5
95.01376	0.8
99.00896	0.6
101.02439	2.9
102.98611	0.6
104.77935	0.4
105.01893	0.7
107.01388	13.2
107.82743	0.3
109.02953	0.3
111.00900	0.4
113.02461	2.2
119.03568	1.2
119.05023	40.1
120.05345	1.8
121.02974	1.2
121.30219	0.3
125.02454	1.4
127.00397	0.6
136.01653	0.6
137.02475	0.8
142.99809	0.3
143.03572	0.3
143.05011	0.4
145.02931	0.7
151.00365	46.1
152.00671	1.9
161.04596	1.0
161.06053	0.6
161.67726	0.3
163.03931	0.6
163.56099	0.3
164.01151	0.9
165.01945	1.8
169.01405	0.9
175.00349	2.0
177.01927	5.4
178.99899	0.9
179.05658	0.5
185.06056	0.9
187.03978	0.7
193.01468	0.7
197.09669	0.3
211.03999	0.8
227.03563	0.5
227.07146	1.1
229.04988	2.4
243.02950	1.6
253.04955	0.4
255.02992	2.8
269.04364	0.6
271.02679	5.6
271.06097	100.0
272.03162	0.6
272.06433	10.0
287.03979	1.4
295.06180	1.6
296.06018	0.3
300.02756	12.6
301.03421	4.0
313.03653	0.3
313.07184	2.2
315.18448	0.3
373.22455	0.9
390.22095	0.7
391.22565	0.6
433.07227	5.1
433.19769	0.7
433.24969	2.2
434.07916	0.6
434.16809	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.0776
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13486	0.4
51.82838	0.4
56.50385	0.4
59.01381	3.9
65.00309	0.9
69.18816	0.8
69.19019	1.3
69.19423	3.5
80.66048	0.5
83.01389	0.9
93.37563	0.4
100.04879	0.5
107.01389	1.7
108.02184	1.7
109.02948	1.1
121.02953	1.4
135.00885	1.1
148.01674	2.1
148.06773	0.5
151.00368	7.7
163.00371	2.3
164.01128	0.8
166.09738	0.5
178.41792	0.5
178.99905	3.2
183.04541	0.7
183.61093	0.5
199.04018	0.8
211.04041	1.3
215.03551	1.3
216.04242	0.6
226.02733	1.6
227.03519	3.0
229.05037	0.6
243.02975	11.9
244.03465	1.0
245.04466	1.1
254.02205	2.3
255.02979	26.5
256.03369	2.5
271.02469	60.8
272.02905	6.3
283.02393	0.9
299.02026	1.0
300.02744	100.0
301.03387	29.0
302.03915	1.5
332.61124	0.6
372.34113	0.5
425.09714	0.5
433.07745	53.1
434.08115	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	432.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34063	0.6
59.01378	72.5
60.01713	1.6
61.01821	1.0
61.98829	100.0
69.59618	2.4
69.60021	1.6
69.65409	0.7
71.01377	7.8
73.02951	3.0
85.02969	2.5
87.00893	0.8
89.02442	4.2
99.00933	1.0
101.02463	5.5
102.98627	0.9
105.01939	7.7
113.02425	3.4
119.03505	1.6
119.05061	1.2
135.00804	0.7
161.04597	1.8
164.01808	1.2
197.09758	1.0
209.03210	0.7
243.02917	1.7
255.02936	3.2
271.02429	7.2
287.04236	1.9
300.02707	13.0
300.05966	0.8
301.03574	3.0
301.10925	2.7
373.22388	1.0
395.44357	0.7
396.20465	0.7
432.23264	3.0
433.07565	6.7
433.24533	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	433.0774
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	0.4
59.01380	13.9
60.01713	0.8
61.01824	0.5
63.02393	1.1
65.00312	1.2
69.42853	2.4
69.43256	1.0
71.01369	3.3
71.40697	0.4
73.02944	1.4
83.01394	1.7
85.02927	1.2
89.02457	1.0
93.03452	0.6
97.02857	0.5
101.02441	2.2
102.02794	0.6
105.01917	2.0
105.83051	0.5
107.01382	2.7
108.02174	1.7
109.02976	2.0
112.17607	0.5
113.02381	0.5
119.01450	0.4
119.05006	0.8
120.98879	0.4
121.02928	2.3
123.00907	0.5
125.02358	0.6
135.00879	1.4
139.03978	0.5
148.01669	1.7
149.02415	0.6
151.00356	10.6
152.01006	0.4
161.04582	0.5
163.00343	3.9
163.03955	0.6
164.01152	0.5
165.01978	0.9
169.01492	0.7
178.99867	5.6
183.04556	0.5
185.02324	0.4
192.00580	0.6
197.09755	0.4
199.03912	1.0
203.03485	0.5
211.03990	1.7
215.03471	1.2
215.23981	0.4
216.04289	0.7
218.76553	0.4
226.00716	0.5
226.02713	1.8
227.03484	3.6
228.03925	0.8
229.05081	0.6
243.02969	13.1
244.03444	1.3
245.04431	1.5
254.02200	2.9
255.02977	29.0
256.03336	3.1
271.02466	66.1
272.02899	7.7
273.03848	1.1
283.02493	1.7
287.04105	1.3
299.02002	1.3
300.02734	100.0
301.03467	64.2
301.10693	0.9
302.03915	4.2
313.03665	0.6
373.12964	0.5
390.21930	1.2
433.07715	63.7
434.08112	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	431.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.6
57.01398	0.4
57.03446	1.0
59.01381	100.0
60.01713	1.3
61.69198	0.4
66.33247	0.4
69.88831	2.4
71.01382	14.5
71.01775	0.8
73.02950	5.6
83.01392	2.9
85.02955	7.7
87.00897	0.6
89.02447	2.7
95.01411	1.0
99.00883	2.1
101.02448	12.9
102.02792	0.5
102.46455	0.4
113.02439	5.4
119.03536	1.1
125.02460	0.8
143.03552	1.1
159.02985	0.9
161.04553	5.3
162.18492	0.5
178.94991	0.4
179.05655	0.5
185.54912	0.4
227.16505	0.9
241.01370	0.6
245.01048	0.6
251.13046	0.6
251.16705	0.5
269.17648	2.4
285.04141	0.7
298.00729	0.5
312.07178	0.5
371.20673	2.4
389.21811	18.3
390.22171	2.7
431.18182	0.7
431.23459	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	432.1872
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26713	0.6
55.01880	0.7
56.53212	0.7
57.03463	1.1
59.01380	72.2
60.01696	3.2
61.01799	1.1
61.98832	100.0
63.69202	0.8
69.50278	5.2
71.01385	9.5
71.05011	1.0
72.99324	1.7
73.02956	2.4
76.04459	0.6
83.01406	1.6
85.02933	3.3
87.00897	1.2
89.02437	6.8
95.01417	0.7
97.02950	0.7
98.19907	1.4
99.00883	1.2
101.02446	6.1
102.98602	1.3
105.01937	7.4
108.93923	0.7
113.02481	4.1
119.03537	2.6
119.05045	2.6
122.55212	0.6
143.03493	0.7
148.01729	0.7
151.00368	1.7
161.04503	3.4
163.04062	1.6
164.01761	2.6
169.78032	0.8
178.99980	1.0
182.02824	0.8
197.09767	2.3
227.03421	0.8
243.02960	2.6
252.17023	0.8
255.03000	5.0
265.86371	0.8
268.29440	0.8
271.02490	10.5
285.04184	0.9
287.04254	1.9
300.02734	18.5
301.03479	4.9
301.10779	3.3
372.20749	0.8
373.22293	1.6
383.53433	0.7
432.22952	3.4
433.07657	11.8
433.19568	0.8
433.24619	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	431.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
60.01718	0.9
69.28738	5.0
71.01384	4.0
73.02967	1.4
83.01385	0.7
85.02953	1.8
87.00869	0.6
89.02456	1.7
98.19875	1.1
101.02435	2.8
113.02473	1.4
120.99648	0.9
139.07658	0.9
145.66823	0.5
155.10794	1.6
161.04578	1.2
227.16557	2.3
269.17395	0.7
285.03955	0.9
349.87100	0.6
376.38272	0.6
388.62729	0.6
389.22293	0.9
431.10074	0.8
431.23392	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99292	0.5
51.59131	0.5
52.08841	0.5
55.01893	0.5
59.01380	100.0
60.01728	1.6
71.01381	8.0
73.02955	2.2
83.01402	1.3
85.02956	2.9
87.00870	1.0
89.02443	5.4
95.01376	0.7
99.00874	0.9
99.04523	0.7
101.02444	6.2
102.98601	1.9
113.02442	4.9
119.03510	2.2
157.18597	0.5
159.04536	0.6
161.04518	3.1
175.07645	0.9
179.05617	1.0
191.14394	0.7
227.03635	0.7
229.05029	0.5
243.02808	0.6
251.12920	1.6
255.03107	1.3
256.03397	1.5
269.17596	0.9
283.02469	1.5
284.02988	4.0
285.04041	10.3
286.04410	1.1
295.11829	0.8
389.21994	1.2
431.09821	2.7
431.18692	1.6
431.23026	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2203
Annotation	PA(18:3(9Z,12Z,15Z)/0:0)
Peak:m/z	Relative Intensity
52.53364	0.3
53.04017	0.3
59.01379	2.5
61.98833	0.4
69.49447	2.2
78.95903	56.7
88.90688	0.3
96.96957	5.4
97.66431	0.3
150.97998	1.7
152.99583	100.0
153.99916	2.2
171.00633	3.8
184.41504	0.3
190.50511	0.3
207.36534	0.3
209.70485	0.3
277.21802	0.7
285.04041	0.3
287.38672	0.3
314.52487	0.4
431.10202	0.5
431.22122	5.2
431.27792	0.7
432.22269	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.22
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67969	0.4
59.01382	4.3
71.01394	0.5
71.54881	0.4
75.00887	0.9
75.16123	0.4
75.55959	0.4
78.95905	71.8
86.13972	0.4
87.31034	0.4
96.96959	6.3
101.02467	0.4
143.39952	0.4
150.98004	1.5
152.99586	100.0
153.99933	1.9
171.00627	2.8
277.21658	1.1
284.03287	0.5
389.26974	0.4
404.68716	0.4
431.22083	8.9
431.27872	0.7
431.33521	1.6
432.22485	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.0
56.51105	0.5
56.98009	0.6
57.03460	1.0
58.00586	0.8
58.99598	0.7
59.01381	100.0
60.01719	1.1
61.98842	0.8
66.70247	0.4
69.03459	1.2
71.01382	16.2
71.25797	1.1
71.62512	0.5
72.99319	1.9
73.02945	4.0
75.00867	0.6
79.05538	1.0
83.01397	1.6
83.05025	0.6
85.02959	4.8
87.00893	1.8
89.02446	10.4
93.03459	0.9
95.01414	0.9
97.02985	0.6
99.00875	1.3
99.04606	0.6
100.79573	0.5
101.02439	10.7
102.98621	1.4
105.01986	0.5
107.05039	0.6
108.41498	0.5
113.02451	6.4
117.97339	0.6
119.03508	3.7
120.99654	3.1
123.04606	0.6
123.08167	0.6
125.02473	1.8
135.02989	1.0
135.04544	0.5
137.02492	1.8
149.04611	0.8
159.03030	1.2
161.04543	5.2
179.05663	1.2
207.10258	0.8
209.02663	0.5
251.09235	0.5
251.16714	0.9
253.24158	0.5
255.10280	1.2
269.17648	2.0
284.03433	0.8
285.04224	0.6
301.14816	0.5
389.21899	0.9
431.23593	4.7
446.26096	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27705	0.4
55.01882	0.6
57.03451	1.3
58.00602	1.0
59.01379	100.0
60.01715	1.2
61.98834	1.2
69.03457	0.8
71.01381	16.2
71.55183	0.7
72.99319	2.0
73.02942	4.0
74.99094	0.4
75.00877	0.7
77.55009	0.4
83.01366	2.0
83.05022	0.8
85.02956	4.9
87.00888	1.2
89.02442	15.4
91.29103	0.4
95.01391	1.1
95.05045	0.5
97.02954	0.7
99.00893	1.3
99.04571	0.6
101.02444	10.7
102.98590	1.9
113.02453	7.5
119.03501	6.1
119.05043	0.4
120.99696	0.5
121.06672	0.4
125.02497	0.8
131.03531	0.6
135.03000	0.5
137.02469	0.6
137.15018	0.4
140.96814	0.4
143.03519	1.2
146.52293	0.4
149.04604	0.5
159.02975	0.4
161.04549	3.7
165.09161	0.7
179.05598	2.4
185.00925	0.6
185.06090	0.6
193.12292	0.4
197.05556	0.4
199.57066	0.4
207.10225	1.0
209.11797	0.5
221.09743	1.0
223.87292	0.4
227.03519	2.1
229.04990	0.5
251.12959	0.5
251.16559	0.8
255.02885	3.5
256.03467	0.6
257.04880	0.4
269.17587	2.0
283.02423	0.5
283.11905	0.6
284.03085	4.2
285.04034	7.5
301.14868	0.6
313.16797	0.5
345.09756	0.5
371.16608	0.6
371.21155	0.6
387.16788	0.6
389.21988	0.9
431.10229	3.9
431.18619	2.1
431.23831	6.2
432.23517	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.192
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31025	0.6
51.95852	0.7
55.01856	1.1
57.03422	1.6
58.00561	2.0
59.01379	61.4
59.01656	2.0
59.01791	1.8
60.01697	0.7
71.01379	27.5
72.99269	2.2
73.02923	1.4
83.01363	1.6
85.02953	6.7
87.00819	1.1
89.02442	22.7
95.01344	2.9
99.00872	1.1
99.04514	27.9
100.04825	1.2
101.02441	12.5
107.08637	0.8
111.04494	1.0
113.02450	10.3
119.02802	0.6
119.03498	9.2
131.03429	0.9
132.04350	0.6
143.03448	1.6
151.00294	1.0
157.19431	0.7
161.04527	2.0
163.00339	0.7
163.14934	0.7
179.05565	1.3
185.75002	0.7
189.12828	6.4
207.13893	32.7
208.14212	2.1
211.03993	1.2
221.90144	0.8
227.03496	21.3
228.03772	1.7
229.04936	1.7
251.12865	100.0
252.13196	8.1
255.02957	27.2
256.03616	4.6
257.04434	1.8
269.13971	1.2
284.03250	36.4
285.03992	31.1
286.04401	2.3
301.15381	0.7
360.26740	0.8
397.13486	0.7
418.01102	0.9
431.09903	40.8
431.18820	34.9
432.10120	5.6
432.19208	4.3
451.10611	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.8
57.03448	2.4
57.54408	0.7
57.92025	0.6
58.00586	2.4
58.99603	1.1
59.01379	100.0
60.01732	1.3
60.79531	0.6
61.98836	2.1
69.03471	2.7
71.01383	47.1
71.54942	0.6
71.55338	1.1
72.01724	1.4
72.99303	5.1
73.02948	13.8
75.00869	1.7
78.90285	0.7
79.05538	1.2
80.91693	2.0
81.03464	0.6
83.01396	3.6
83.05029	1.8
85.02950	10.1
87.00884	6.8
87.04514	0.8
88.25062	0.6
89.02444	46.3
90.02767	1.2
93.03463	0.7
95.01404	2.1
95.05063	0.8
97.02975	1.3
97.06588	1.4
99.00877	12.6
101.02440	28.5
102.02798	1.1
102.98614	3.9
104.42214	0.6
107.05038	1.5
109.02989	1.9
111.00925	1.0
113.02448	13.4
114.02776	1.0
118.98113	0.8
119.03523	8.3
119.05054	2.9
120.99672	1.4
121.02961	12.7
123.04520	1.4
123.08161	0.8
125.02462	3.9
129.01920	0.9
131.03479	5.6
132.34251	0.8
134.03764	1.3
135.03011	2.3
135.04553	1.4
135.08174	1.0
137.02342	1.0
137.06160	0.9
143.03467	3.2
149.04553	17.2
149.05933	1.4
149.90123	0.7
150.04921	1.0
151.03998	1.0
159.03015	2.0
161.02510	0.8
161.04578	9.7
163.11284	1.4
179.03497	4.3
179.05618	5.2
179.06953	0.8
185.00909	1.6
189.05626	0.8
191.05635	3.1
191.10858	1.3
194.05890	3.1
207.10362	0.7
209.04787	0.8
209.08199	6.1
237.07785	1.8
243.37970	0.6
251.07700	0.9
251.12915	1.3
255.10390	1.3
269.10150	0.8
269.17657	2.8
283.15610	1.4
284.03146	1.4
285.04092	1.1
309.08179	1.4
431.09723	1.5
431.15616	8.3
431.23581	13.9
432.23499	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41782	0.9
55.01879	9.5
57.03452	5.8
58.00586	2.4
59.01380	83.1
61.98821	2.7
68.99831	1.1
69.03450	1.9
69.60727	1.6
69.61134	4.0
71.01382	100.0
72.01717	1.3
72.99297	3.7
73.02551	1.7
73.02947	32.4
74.39920	0.9
75.00858	2.0
83.01398	14.1
85.02953	43.5
86.03311	1.2
87.00884	6.4
87.44937	1.0
89.01935	1.5
89.02449	24.0
90.30965	0.8
90.87420	0.9
95.01382	7.0
97.02948	3.6
98.19904	2.1
99.00343	1.3
99.00881	13.6
101.02444	89.0
102.02752	2.4
102.98571	1.2
108.02178	3.0
111.00864	1.9
113.02456	40.6
119.03487	8.7
119.91227	1.1
125.02436	5.5
129.01979	1.9
131.03522	1.3
141.02014	1.4
143.03534	7.4
147.65712	1.1
149.04562	1.0
152.01131	3.5
159.03018	8.1
161.04564	49.5
163.03928	1.1
179.03468	1.8
179.05602	2.8
179.07103	1.0
194.05902	1.8
196.76086	0.9
209.08153	3.6
221.06589	1.3
230.05237	1.1
245.06660	1.6
263.07590	3.2
269.10303	43.1
270.10599	4.2
431.15784	28.2
431.22049	1.8
432.16052	5.1
446.04724	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1558
Annotation	Zizybeoside I
Peak:m/z	Relative Intensity
55.01873	4.6
57.03434	2.2
59.01379	100.0
61.98832	1.8
66.90956	1.1
69.03428	1.9
70.48447	2.6
71.01379	66.6
72.01731	1.2
72.99294	3.3
73.02951	23.9
75.00864	1.1
83.01385	9.1
85.02948	31.5
87.00877	4.9
89.02448	16.2
95.01382	4.7
97.02937	3.4
99.00892	8.2
101.02439	59.2
102.02760	1.7
109.34995	1.2
113.02441	29.4
116.63829	1.0
119.03536	5.6
120.14239	1.1
125.02419	3.5
130.39616	1.1
143.03458	3.1
149.04431	1.3
151.04065	1.7
159.03009	6.0
161.02440	1.8
161.04543	32.3
178.89114	1.2
179.03479	2.7
179.05637	1.6
194.05872	3.7
203.84326	1.2
209.08174	9.5
263.07666	1.9
269.10294	29.3
270.10587	2.4
372.62662	1.2
431.15482	28.8
431.21457	1.0
432.16006	2.3
445.35178	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.9
57.03451	0.8
58.00583	0.5
59.01379	100.0
60.01714	1.4
65.57913	0.3
69.03447	0.7
69.19392	4.1
71.01385	11.4
71.84576	0.4
72.01716	0.4
72.99325	1.3
73.02939	2.6
75.00889	0.4
83.01389	1.0
83.04977	0.5
85.02945	4.0
87.00898	1.2
89.02443	8.9
90.02763	0.4
95.01395	1.3
97.02974	0.8
98.19781	0.6
99.00922	0.6
101.02441	8.1
102.98618	1.4
104.98172	0.5
105.01951	0.4
109.06601	0.7
113.02454	4.9
113.06065	0.5
115.03993	1.1
117.01903	0.3
117.97403	0.4
119.03491	2.7
120.99648	2.0
125.02463	0.7
131.03477	0.4
135.03027	1.0
143.03561	1.0
149.04466	0.5
151.03995	0.5
152.98698	0.3
159.03041	0.6
161.04573	3.0
165.05659	0.4
179.05644	1.5
189.05605	0.6
191.07144	1.0
207.10231	0.4
209.08174	3.8
210.08421	0.5
221.09724	0.5
251.12978	0.9
255.03230	0.5
269.17587	0.9
280.88492	0.4
283.15756	0.5
284.02927	0.9
285.04208	1.4
325.64380	0.3
389.21933	0.6
431.09897	0.9
431.18622	1.7
431.24002	3.6
432.19257	0.5
437.47284	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.0984
Annotation	Kaempferol-3-Rhamnoside
Peak:m/z	Relative Intensity
50.20824	0.4
50.21113	0.4
54.02600	0.4
59.01377	4.2
63.02396	11.4
64.02158	0.4
64.98849	0.4
65.00324	7.2
69.37111	1.9
69.37537	1.5
79.38152	0.4
83.01385	10.5
85.02973	0.6
89.02433	0.6
93.03485	0.6
95.01367	2.0
98.19920	0.9
101.02470	0.7
102.98628	0.4
107.01386	21.6
113.02448	0.8
115.88544	0.4
119.04999	0.6
120.02184	0.7
123.00910	1.2
123.04551	0.9
132.02182	1.6
133.02979	0.6
143.05022	1.1
145.02963	0.7
147.04515	0.8
149.99606	0.9
151.00369	55.8
152.00700	2.0
161.04553	0.4
163.00325	2.9
164.01166	4.0
165.01857	0.6
169.01396	3.8
169.06541	0.6
171.04495	0.9
185.06055	4.6
187.04039	0.6
192.00630	0.5
197.06079	0.9
199.04022	0.9
211.04062	0.6
213.05577	6.2
218.95804	0.5
227.03510	2.1
228.04211	1.0
229.05090	4.6
239.03584	0.7
240.04279	1.7
241.05040	3.3
255.03082	2.3
256.03714	0.8
257.04556	25.1
258.04843	2.5
283.02328	0.8
284.03262	43.3
285.04016	62.5
286.04373	5.1
426.31329	0.4
431.09805	100.0
432.10110	14.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.7
57.03431	1.0
58.00609	0.4
59.01379	100.0
60.01721	1.1
67.22160	0.4
69.03453	3.0
71.01380	10.4
73.02951	4.0
78.47858	0.4
83.01419	1.1
85.02953	3.3
87.00878	0.8
89.02454	6.4
93.03473	0.5
95.01385	0.7
97.02966	1.4
98.19925	0.9
99.00892	1.7
99.04553	0.5
100.28136	0.4
101.02443	6.4
102.98599	1.0
109.06687	0.6
113.02431	4.5
119.03555	2.2
119.05031	6.9
120.05392	0.4
121.02950	0.5
135.03040	1.0
137.09746	0.6
138.06873	3.4
140.99237	0.4
143.03514	0.7
147.04584	1.1
153.09224	8.6
159.03006	0.5
161.04573	3.0
161.13402	1.1
163.04021	1.1
179.05727	1.2
185.00974	1.5
191.17987	0.4
205.12389	1.7
207.13947	0.9
223.11465	0.6
223.13435	0.4
225.14960	16.2
226.15363	1.4
237.09320	0.4
249.11345	2.9
267.10269	0.8
267.16074	0.7
303.71237	0.4
311.09250	12.1
311.12759	0.6
312.09842	1.2
369.19327	1.4
387.20450	1.5
388.15219	0.5
420.84067	0.4
429.22141	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.213
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55094	0.3
53.76450	0.3
58.00600	0.3
59.01380	100.0
60.01713	1.0
61.98832	0.6
70.69948	0.7
71.01385	7.0
72.99311	0.5
73.02950	0.9
74.73134	0.3
83.01372	0.4
85.02962	1.7
87.00870	0.6
89.02446	9.4
94.18613	0.3
101.02435	3.8
113.02431	3.0
119.03507	3.7
131.03554	0.4
143.03511	0.9
153.01930	0.5
161.04584	1.0
173.96205	0.3
179.05608	1.6
189.29822	0.3
217.44133	0.3
255.02837	0.4
267.19687	0.3
267.65677	0.3
283.02872	0.3
292.84528	0.3
343.24820	0.6
429.21182	1.0
429.25784	0.8
430.25739	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84958	0.6
58.00590	1.5
59.01380	100.0
59.49344	0.7
60.01724	1.2
63.85728	0.7
69.41390	5.5
69.41732	1.1
71.01379	14.7
72.99320	1.6
73.02943	1.9
76.30431	0.6
83.01420	0.7
85.02957	2.4
85.61562	0.6
87.00938	1.1
89.02444	20.4
90.02769	0.7
101.02431	8.3
102.98586	0.8
113.02438	5.2
119.03509	8.0
119.04984	3.6
131.03510	0.8
135.34593	0.6
137.09735	1.5
143.03493	1.2
161.04591	2.9
163.04103	0.8
167.57935	0.7
179.05641	2.6
205.12427	1.6
249.11455	1.9
267.10287	1.0
311.09314	5.3
369.19226	1.0
387.20401	1.0
429.21283	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	429.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	1.3
58.00596	2.3
59.01381	100.0
59.73400	0.8
60.01725	1.3
71.01384	35.2
72.99311	2.2
73.02937	1.5
81.07088	2.1
83.01406	1.8
85.02950	7.2
87.00879	1.6
89.02445	39.8
90.26205	0.7
93.07125	0.8
95.01387	2.1
98.20687	2.6
99.04522	4.0
99.57387	0.8
101.02444	19.1
111.04551	1.1
113.02445	13.5
119.03502	20.3
131.03506	1.8
143.03448	2.3
149.04538	1.8
161.04526	2.0
161.13376	14.9
162.13689	1.1
167.86827	0.8
179.05609	6.4
187.11192	1.5
205.12323	30.0
206.12671	4.0
249.11313	49.7
250.11649	4.7
267.15796	0.8
311.09253	1.3
429.11658	1.4
429.17453	29.1
430.17648	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	429.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68637	1.1
57.65494	1.4
58.00574	3.6
59.01377	100.0
64.47648	1.3
69.22305	1.3
69.46640	7.0
71.01382	45.1
72.99323	3.3
75.00854	1.8
81.07079	1.4
83.01375	1.5
85.02946	9.2
87.00858	1.8
89.02440	55.7
95.01360	3.0
99.04499	4.7
101.02441	24.5
105.62955	1.2
111.04519	2.5
113.02449	17.7
119.03495	23.9
131.03473	2.1
135.02963	2.8
143.03485	5.0
149.04550	1.7
159.65915	1.2
161.04497	2.8
161.13359	20.1
162.13696	1.5
163.30179	1.3
179.05627	6.8
187.11362	2.3
198.09769	1.3
205.12337	45.4
206.12692	3.1
218.40988	1.3
249.11296	45.9
250.11607	3.8
311.08994	1.7
377.39041	1.3
429.17447	10.1
430.17929	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1948
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.0
61.98819	0.4
69.71479	1.7
71.01391	0.3
73.36194	0.2
84.91136	0.3
90.97824	0.3
99.00887	1.1
99.92580	5.4
100.93358	3.9
101.93378	0.3
115.92078	100.0
116.92084	5.5
116.92871	6.6
117.92573	0.3
132.92352	0.8
155.95203	0.3
172.95450	4.7
255.23299	0.6
285.55701	0.3
355.15601	0.5
381.17468	0.7
429.19458	3.1
429.34073	0.4
430.19836	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33330	0.8
51.35810	0.8
51.58517	1.0
53.33866	1.1
55.01867	2.4
57.03454	1.1
58.00581	3.3
59.01380	100.0
69.23262	9.4
71.01380	44.6
72.99290	1.8
73.02921	1.9
83.01392	2.9
85.02947	9.4
87.00867	3.0
89.02444	48.5
90.02733	1.1
95.01369	2.6
98.20703	1.4
99.04517	5.0
101.02442	21.9
111.04468	0.9
113.02456	15.7
119.03509	21.3
119.04969	1.4
131.03484	2.3
143.03491	3.6
144.40413	1.0
149.04524	1.9
161.04544	3.5
161.13358	31.7
162.13715	1.1
178.95476	0.9
179.05563	5.6
187.11275	2.1
205.12329	49.7
206.12653	3.3
221.62262	1.1
227.24957	1.0
249.11317	56.5
250.11641	4.4
267.16043	1.5
311.09265	2.4
361.19168	1.0
371.51611	1.0
429.16470	13.3
429.21692	6.8
430.17545	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.119
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26843	0.6
53.46214	0.5
56.33659	0.5
59.01377	18.4
61.98815	0.9
69.03484	0.7
69.51559	1.0
69.51968	3.1
71.01382	9.7
72.99316	1.6
73.02950	2.2
75.00872	8.6
83.01373	0.9
85.02969	2.8
87.00898	0.8
89.02438	6.5
93.02865	0.9
93.03461	18.8
95.01362	0.6
96.99319	6.0
99.00843	0.8
99.65859	0.6
101.02446	5.6
102.02789	0.9
102.98576	0.9
109.06622	0.5
111.00863	0.8
113.02460	3.0
115.05549	2.9
117.01923	0.9
117.03464	1.4
119.03557	2.6
119.05021	10.6
121.02979	1.2
123.04522	1.0
130.04259	0.9
131.05023	2.6
133.02950	1.7
135.03003	25.3
137.02370	0.6
143.05022	9.6
145.02946	1.1
147.04539	4.4
158.03708	1.0
161.04549	0.9
163.03998	8.2
195.08115	4.5
205.12225	0.8
207.08086	1.0
207.13918	0.7
219.08141	1.6
221.09677	4.6
222.09966	0.7
223.11307	2.6
247.07649	0.7
249.09206	19.4
249.11737	1.0
249.14926	3.0
250.09599	2.6
267.10211	1.6
267.15930	1.8
269.17529	0.7
293.08121	5.7
293.10654	0.6
299.13147	1.2
311.09244	100.0
312.09610	11.9
429.15848	1.1
429.21240	15.4
430.21521	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	429.119
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	2.9
57.23338	1.0
59.01379	70.2
59.48486	0.9
60.01717	1.1
71.01382	25.4
72.99312	5.0
73.02939	4.2
75.00463	2.2
75.00874	31.5
83.01384	1.9
85.02952	6.2
87.00875	2.8
89.02444	23.1
92.49738	1.1
93.03452	6.7
98.19914	2.0
99.00857	1.4
99.04513	2.4
101.02448	13.6
102.98573	3.3
110.53239	1.2
110.73689	1.1
113.02468	8.9
117.01965	4.9
117.03435	1.2
119.03536	10.2
119.05022	20.5
123.74943	1.0
135.02995	94.2
136.03354	2.3
137.09779	1.0
143.03461	1.3
143.05006	2.4
147.04501	8.5
157.06592	1.2
161.04520	2.3
161.13345	3.7
163.04013	9.3
166.86391	1.1
178.93080	2.0
179.05547	1.7
190.67192	0.9
205.12354	13.0
207.08186	1.8
207.13881	4.8
221.09673	11.1
222.10220	1.2
223.11279	7.1
229.44398	1.4
237.09100	1.9
249.09076	2.4
249.11292	14.2
249.13927	1.3
249.14993	1.6
267.07614	1.6
267.10251	23.8
267.12851	2.1
267.16025	1.6
268.10703	1.9
279.28723	1.1
311.09238	100.0
312.09558	12.8
321.41815	1.2
399.20251	2.3
411.20193	6.4
429.12009	2.6
429.21512	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	429.1191
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	1.7
57.03442	1.0
58.00578	1.0
58.99594	1.0
59.01381	45.8
60.01711	0.7
61.98824	1.1
69.03449	0.7
69.37636	0.4
69.37904	4.2
71.01382	21.9
72.99290	2.2
73.02943	3.8
75.00871	2.0
83.00973	0.5
83.01391	2.7
83.04996	0.6
85.02949	6.7
85.90086	0.5
87.00874	1.9
88.96803	0.6
89.02440	19.7
90.76605	0.7
93.02863	0.9
93.03458	18.4
94.03826	0.6
95.01403	1.2
96.99292	5.3
97.06659	0.6
98.19954	1.2
99.00871	0.9
99.04503	1.1
101.02444	14.8
102.98605	3.3
105.01941	2.3
107.61929	0.5
113.02453	7.7
115.05548	3.4
117.01936	1.0
117.03449	1.1
119.03518	6.0
119.05022	9.9
120.99631	0.6
121.02968	1.0
123.04486	0.8
125.02447	0.5
131.03476	0.8
131.05009	2.4
133.02959	2.4
135.03004	6.0
137.02460	0.5
143.03432	1.0
143.05031	11.4
144.05357	0.8
145.02971	1.8
147.04530	4.6
149.04524	0.5
153.01910	0.5
158.03731	1.3
159.02943	0.7
161.04486	2.7
161.13377	1.0
163.03976	5.3
179.05525	0.7
191.14445	1.6
195.08171	4.2
203.14305	0.8
205.10536	0.7
205.12289	2.4
205.15887	0.8
206.07281	0.6
219.08128	2.3
220.08456	0.6
221.09732	3.6
221.15352	0.9
223.11302	1.3
249.09193	20.9
249.14902	9.0
250.09564	2.1
251.63649	0.5
265.14459	0.5
267.10181	1.1
267.16000	11.7
268.16397	1.7
284.15640	0.5
285.17081	0.7
293.08191	6.8
299.13324	2.3
311.09250	100.0
312.09583	11.8
327.02277	0.6
369.19009	0.6
411.20239	0.9
429.21292	64.3
430.21640	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	427.1973
Annotation	Cichorioside N
Peak:m/z	Relative Intensity
51.22909	0.7
55.01873	1.6
57.03436	1.7
57.60886	0.6
58.00598	1.8
59.01379	100.0
60.01731	1.2
61.98825	1.1
69.03463	2.7
69.38616	2.4
69.39035	3.2
71.01382	34.2
72.99331	2.7
73.02945	33.8
74.03302	0.8
74.32893	0.9
77.27743	0.8
83.01396	10.0
83.05035	1.1
85.02940	7.9
87.00863	4.8
89.02444	14.7
89.02998	0.8
93.75024	0.9
95.01385	1.7
97.02972	0.7
99.00864	3.5
101.02443	33.0
102.98589	1.7
113.02447	15.3
115.26115	0.7
119.03496	7.4
121.02929	3.9
121.32614	0.7
123.04588	0.9
125.02461	1.0
127.00420	0.9
131.03551	2.4
142.99911	0.9
143.03549	2.5
147.08205	1.2
149.04594	2.8
149.06058	1.7
153.09210	9.8
154.09543	0.8
159.11751	0.7
161.04573	8.3
161.09895	0.8
165.09195	0.8
166.94351	0.7
179.05692	2.5
179.10898	1.1
187.11284	1.3
189.19931	0.7
203.14470	0.8
205.12367	7.5
206.12801	0.8
209.04649	0.8
223.13434	7.8
224.13895	0.8
265.14511	2.7
329.29028	0.8
332.40173	0.7
342.71011	0.8
351.98099	0.8
367.17740	3.2
385.18433	3.9
427.14291	0.8
427.19693	21.5
428.20300	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	427.1973
Annotation	Cichorioside N
Peak:m/z	Relative Intensity
55.01880	1.7
57.03441	2.8
58.00599	4.5
59.01381	100.0
60.01714	1.2
69.23225	5.7
69.23643	2.9
71.01382	60.7
72.55677	0.9
72.99293	4.5
73.02940	5.4
83.01384	3.1
83.05023	1.0
85.02950	12.9
86.22269	0.9
87.00873	4.2
89.02445	66.9
90.02776	1.3
93.03456	1.9
95.01393	5.1
99.00941	1.9
101.02442	33.2
113.02454	24.3
119.02653	1.6
119.03503	26.6
130.04254	1.5
131.03493	4.3
143.03481	4.3
149.04529	2.4
161.04546	9.3
176.63866	0.9
179.05577	4.4
203.14391	1.2
221.09715	17.4
221.15450	1.6
247.13550	1.2
265.14490	2.3
274.48590	0.9
297.11737	1.2
427.19824	16.5
427.88348	1.1
428.19794	1.7
440.52045	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39874	0.4
55.01876	1.0
57.03457	0.6
59.01380	100.0
60.01699	0.9
61.98828	1.0
66.45732	0.5
69.03454	1.9
69.38766	3.4
71.01383	12.9
72.99310	18.1
73.02946	3.3
83.01387	1.5
85.02952	5.1
87.00884	0.7
89.02434	4.9
95.01405	0.7
97.02943	0.9
99.00855	2.2
101.02439	4.3
102.98621	1.3
106.48191	0.4
111.00872	0.8
113.02457	7.4
117.01109	0.7
117.01940	10.8
117.02720	0.9
119.03571	0.6
121.02955	23.0
122.03302	1.0
123.08159	0.6
131.03571	0.5
136.05281	0.7
138.06856	3.0
139.07745	0.7
151.07671	3.1
152.08430	9.4
153.09213	16.2
154.09576	1.5
161.04617	2.0
173.00903	2.3
185.00897	0.6
190.10056	0.6
191.61447	0.5
198.40681	0.5
203.10583	0.5
205.12337	9.9
206.12753	1.0
209.08159	0.5
223.13467	2.2
239.05652	3.9
247.13252	0.6
265.14569	1.0
293.50665	0.5
367.17645	7.6
368.18176	0.9
385.18607	0.7
427.19785	4.5
428.20206	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.197
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.8
57.03449	0.9
59.01380	100.0
60.01690	1.5
65.71645	0.5
69.38358	0.8
69.38764	3.0
71.01381	12.9
71.05052	0.6
72.99290	0.7
73.02949	6.0
82.87646	0.5
83.01400	1.5
85.02946	4.1
89.02449	3.2
95.01431	1.1
97.02947	0.9
98.20625	0.7
99.00869	0.9
101.02437	5.3
109.89497	0.6
112.77800	0.5
113.02443	8.7
113.06119	0.5
119.03607	0.6
121.08205	0.5
122.03756	0.6
123.08182	0.7
136.05333	1.1
138.06888	4.1
139.07671	1.1
143.03535	0.7
145.92372	0.5
151.07622	4.1
152.08434	14.1
153.09216	25.7
154.09579	1.4
161.04602	1.9
163.11227	0.6
165.09201	1.2
166.75999	0.5
190.09898	0.8
192.96649	0.5
195.99620	0.5
205.12323	12.5
206.12750	0.7
212.65562	0.5
223.13434	2.6
261.15759	0.5
331.03622	0.5
367.17517	9.2
368.17932	1.5
385.18906	1.4
427.20132	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.9
59.01380	100.0
61.98806	2.3
65.58174	1.3
69.03448	3.3
69.58928	8.2
69.59343	2.6
71.01377	21.6
72.99329	2.4
73.02942	14.8
81.80438	1.8
83.01386	4.3
84.24139	1.6
85.02953	6.5
89.02438	7.6
95.01395	2.7
97.02936	1.9
99.00932	2.3
101.02444	14.0
102.98623	3.5
109.06576	2.2
113.02419	7.0
119.03454	2.9
121.02940	4.1
129.04805	1.4
138.06853	8.7
139.07651	2.6
143.03468	1.9
151.07689	8.6
152.08418	19.8
153.09215	42.3
154.09581	2.4
161.04550	5.6
185.00899	2.3
190.09875	1.4
202.03149	1.4
205.12341	17.7
223.13405	5.5
247.13400	3.6
265.14410	3.4
367.17566	2.3
385.18729	1.9
398.65219	1.5
427.15158	1.4
427.19659	11.5
428.20016	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12568	1.6
54.28520	1.6
55.01864	3.1
57.03429	5.3
59.01378	97.8
61.98830	69.8
69.03451	4.7
71.01382	51.5
71.54514	1.7
72.99300	6.1
73.02946	21.5
75.00880	4.1
80.96497	3.4
83.01389	13.6
85.02957	24.2
87.00871	7.1
89.02430	18.6
95.01376	4.8
96.96956	1.9
97.02954	3.8
99.00883	9.3
100.23760	1.7
101.02445	59.4
103.04031	1.9
108.02199	4.7
109.03010	2.1
113.02455	22.9
113.52108	1.7
119.03481	6.1
119.05016	4.0
121.02951	2.3
123.04560	2.8
125.02422	4.7
129.01901	1.9
137.02428	2.1
141.01959	1.9
143.03516	2.1
145.02937	2.7
148.05257	2.6
149.06093	4.8
154.56541	1.8
159.02997	5.0
159.08180	2.0
161.04541	17.9
161.05806	3.2
163.03969	5.0
163.07623	2.6
175.03957	3.5
177.05559	1.9
179.05737	2.4
188.04771	10.2
189.05466	2.8
199.91208	1.9
203.07109	10.6
206.05795	5.2
220.03729	4.9
221.08162	23.1
221.10291	94.4
222.10672	4.8
227.10359	1.8
247.13307	2.0
265.07565	6.5
367.16049	100.0
368.16455	11.9
409.08496	2.5
427.03381	3.9
427.13089	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	427.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96846	1.6
55.01871	7.6
57.03445	12.6
58.00586	4.8
59.01381	100.0
59.23814	1.7
61.98832	63.7
67.01907	1.9
68.99815	1.9
69.03455	30.0
69.93535	5.6
69.93949	3.6
71.01383	91.5
71.77142	1.7
72.01736	2.7
72.99306	17.1
73.02939	19.9
75.00860	4.8
83.01396	12.6
83.05029	7.7
85.02950	38.2
85.91924	1.7
87.00875	18.7
89.02447	67.3
93.03455	3.6
95.01385	8.5
95.05043	2.9
97.02963	8.4
99.00879	43.4
99.04528	4.0
101.02438	59.5
102.98575	8.1
107.05025	6.9
111.00884	5.8
113.02448	40.2
117.01917	4.2
119.03505	28.6
119.05018	5.2
121.06616	2.4
123.00828	2.7
123.04469	3.1
125.02477	4.2
129.01929	6.6
131.03488	3.0
131.08672	2.4
133.06615	2.6
135.08165	5.8
137.02440	6.2
139.04051	2.1
141.01929	14.5
143.03493	6.3
145.06529	2.3
147.04523	2.5
147.08095	2.6
149.04517	2.7
149.06065	3.0
152.01163	2.8
157.06522	2.0
159.03043	9.2
159.08029	3.2
161.04535	13.9
161.05936	3.9
163.03975	4.6
163.07590	10.7
171.08154	2.3
175.02429	1.9
175.11258	1.9
176.04680	2.7
177.05634	1.7
179.05568	5.7
179.07050	2.2
185.00894	14.0
187.11301	2.6
194.92064	1.7
199.11250	17.1
200.11665	1.7
201.12846	2.7
203.10774	3.8
205.03401	2.5
205.12233	1.9
217.12354	10.6
219.13773	4.2
220.03709	13.0
233.11711	2.8
235.06071	6.7
247.13216	2.0
265.07138	23.3
265.14362	2.7
273.14801	3.7
307.06680	7.8
324.40503	1.8
340.64847	2.2
409.18561	1.9
427.08063	3.4
427.20349	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	427.0882
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22277	0.7
55.01881	5.0
58.99599	1.0
59.01380	20.4
61.98802	0.8
65.89555	0.8
66.52721	0.7
69.38337	1.7
69.38770	4.7
71.01381	49.5
72.01734	0.9
72.99306	13.3
73.02947	2.0
77.55510	0.7
83.01385	26.6
85.02947	3.3
85.10085	0.9
87.00874	59.2
88.01232	1.5
89.02433	6.0
95.01404	0.8
97.02979	1.1
99.00877	18.1
101.02457	4.7
102.98588	4.5
110.42027	0.9
111.00883	1.1
113.02440	4.2
115.00396	5.1
119.03535	2.5
119.04942	0.9
121.02956	100.0
122.03316	3.8
127.00368	18.6
129.01993	1.3
141.01945	0.9
142.99873	13.2
147.21747	0.9
161.04550	0.9
165.09172	1.4
185.00842	1.3
203.10800	0.9
205.12321	1.2
209.04535	28.0
210.04906	1.7
213.89565	0.8
228.79340	0.8
247.13339	2.2
265.14487	3.2
273.02515	2.7
305.05026	1.3
427.09573	1.3
427.15146	0.9
427.19736	10.0
428.20038	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
54.91240	1.8
59.01384	21.4
61.98826	2.5
63.60271	1.4
63.70647	1.6
71.01375	5.6
71.55754	2.5
73.02943	1.8
86.51370	1.7
87.00871	2.4
89.02429	3.1
96.99321	8.9
97.34520	1.6
101.02422	2.4
113.02441	2.5
115.05533	5.6
131.03734	1.7
131.04970	2.6
147.04538	12.3
205.10193	6.0
219.23300	1.5
221.15498	4.1
233.09706	37.5
234.10033	4.2
265.14429	7.2
277.08655	15.8
295.09747	100.0
296.10117	12.1
402.56235	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2907
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71243	0.5
57.03424	0.5
59.01373	1.8
61.98843	0.7
83.05044	0.6
92.72978	0.5
93.08434	0.6
94.53252	0.5
97.61483	0.5
98.20683	0.9
177.12801	0.7
183.13892	11.3
184.14207	0.7
193.12361	1.3
195.13898	26.0
196.14153	1.1
202.43730	0.5
211.13394	32.4
212.13716	2.1
213.14948	8.5
217.07233	0.5
223.13432	0.8
229.24678	0.6
314.58786	0.6
315.26822	3.1
341.24710	0.9
359.25903	3.0
360.26010	0.6
363.61139	0.6
377.26822	3.1
395.27838	0.6
402.68378	0.6
407.27945	2.3
407.32928	0.5
425.29086	100.0
426.29459	16.5
426.35257	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.088
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48983	0.7
53.22709	0.6
55.01872	1.9
59.01381	19.1
63.69657	0.6
67.28051	0.6
69.03455	1.1
69.41850	5.3
71.01382	22.9
72.99310	7.8
73.02955	1.3
77.03950	0.6
83.01386	11.1
84.04620	0.7
85.02950	1.4
87.00880	36.3
89.02444	1.7
98.20712	1.3
99.00877	8.7
101.02462	1.9
102.98608	1.2
113.02452	1.2
115.00381	1.8
121.02959	100.0
122.03298	4.8
127.00375	5.9
142.99878	6.5
185.00832	1.2
198.42679	0.7
205.07437	0.6
209.04544	38.7
210.04890	2.2
223.13319	0.8
249.85767	0.7
258.70490	0.6
265.14175	0.7
267.94766	0.7
273.02499	1.1
359.63904	0.8
395.06192	1.1
427.19888	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	425.1947
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22405	8.2
52.36176	8.0
57.03437	11.2
59.01380	99.1
61.42221	8.8
61.98832	61.8
69.03432	13.6
71.01377	41.3
71.55410	12.9
72.99303	23.3
73.02950	19.8
75.00858	23.0
83.01390	16.0
85.02941	13.8
87.00866	30.2
89.02438	30.8
93.03453	67.0
99.00878	12.7
101.02427	33.4
109.02917	19.3
113.02449	22.7
116.88939	8.7
120.99596	10.1
121.02966	14.4
121.34160	7.8
137.02452	100.0
138.02795	12.8
138.05626	18.8
139.00380	13.3
139.05954	14.2
151.03946	16.6
151.07672	12.4
161.04520	9.3
163.07684	10.6
189.05528	15.5
203.10773	17.6
221.11810	19.7
231.06490	12.7
233.08145	18.5
233.11813	14.1
241.96263	9.3
245.04443	10.0
262.08420	13.8
263.09207	57.4
263.12622	15.6
270.33420	8.3
307.12000	8.6
327.26746	9.5
346.86548	8.9
407.07800	14.0
425.14694	50.3
425.19354	41.4
426.14856	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	425.2905
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01361	3.8
61.98816	2.4
71.55678	1.4
76.44997	1.0
78.28699	1.0
122.44138	1.1
129.98076	1.1
183.13916	10.4
193.12233	1.7
195.13887	23.0
211.13379	36.0
212.13731	1.6
213.14952	9.4
219.56291	1.1
263.11115	1.3
315.26880	2.0
342.11307	1.2
359.25922	2.2
377.26862	2.8
407.28152	2.0
425.29071	100.0
426.29468	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	425.1948
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94985	12.7
57.03447	25.3
59.01384	100.0
61.98827	70.0
69.03451	28.9
69.22836	88.9
69.23257	30.9
71.01382	59.5
72.99294	18.6
73.02971	17.7
74.99047	15.3
85.02946	29.4
87.00871	23.1
89.02440	30.7
93.03459	28.6
97.02937	18.0
98.20593	29.3
101.02409	33.0
109.02983	16.6
113.02447	28.1
125.02460	23.0
125.39233	11.6
130.08867	10.9
137.02451	78.2
147.04544	14.2
148.04060	13.8
151.03943	13.4
163.07678	12.8
172.27084	12.6
175.03874	14.0
187.09801	17.0
201.12837	22.6
203.10776	32.9
219.10257	23.5
221.11714	42.2
245.08278	16.6
263.12863	19.1
302.53070	12.8
349.17453	14.4
406.21823	13.1
407.07526	36.5
425.14508	50.4
425.19858	78.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2518
Annotation	Unknow
Peak:m/z	Relative Intensity
56.72963	0.4
61.98805	0.6
63.74532	0.3
70.95186	0.7
70.95522	0.7
78.95906	14.4
83.08597	0.4
104.97523	0.5
110.98535	9.2
137.00073	0.6
138.40431	0.4
152.99649	0.9
167.01146	11.9
168.01445	0.4
185.02199	2.3
255.23285	100.0
256.23633	10.3
297.56750	0.4
339.19980	1.2
423.25168	18.2
424.25479	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	425.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	5.3
57.03437	5.4
58.00586	5.0
59.01379	75.6
61.98829	8.5
68.99815	1.3
69.03431	1.6
71.01382	100.0
71.05013	4.2
72.01707	1.3
72.99291	3.7
73.02550	2.0
73.02945	29.4
74.91220	1.0
75.00861	2.7
78.95898	4.3
81.03460	2.2
83.01382	13.6
83.05009	3.4
85.02950	42.7
87.00874	8.5
89.02448	59.6
95.01378	7.3
95.05034	2.1
96.96027	1.7
96.96930	2.7
97.02946	5.0
99.00883	11.9
99.04495	3.9
101.02444	84.6
101.06070	11.2
102.02782	2.3
109.02934	3.4
111.00878	2.4
112.01667	1.4
113.02450	43.5
113.06075	5.5
115.03902	1.5
119.03498	25.4
119.07117	1.9
123.04510	1.7
125.02427	11.6
131.03477	7.1
131.07140	32.2
137.02438	2.5
138.99382	1.3
143.03487	10.5
146.27280	1.3
149.02467	1.2
149.04446	1.7
151.03979	3.4
152.01123	3.1
158.92575	1.3
159.03020	8.0
161.04555	40.6
161.08188	24.2
162.04886	1.9
167.03487	4.9
168.18172	1.2
179.05605	36.3
180.05933	1.9
185.08183	1.9
221.06660	12.3
222.07106	1.1
245.06563	2.1
263.08093	2.0
263.11346	45.4
264.11685	4.0
281.04471	1.3
407.02942	1.3
407.07574	7.4
420.63547	1.1
425.16650	74.1
426.17227	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	423.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	6.9
57.03452	4.9
58.00583	2.2
59.01381	43.6
60.01715	0.7
61.13464	0.5
69.03448	2.0
69.45187	1.2
69.45590	3.2
71.01382	64.6
72.01716	0.7
72.99319	2.8
73.02947	32.5
74.03275	0.8
75.00867	1.8
79.01881	0.7
81.03451	1.1
83.01385	15.7
85.02953	33.8
86.00092	2.1
86.03297	0.8
87.00867	5.8
89.02446	13.5
92.89236	0.6
95.01389	4.8
96.26004	0.6
97.02950	3.0
99.00255	1.0
99.00877	13.7
101.02445	70.4
102.02784	1.4
111.00850	3.0
112.34785	0.6
113.02452	23.4
114.02751	1.1
115.04002	2.4
118.30668	0.6
119.03477	1.7
121.02973	1.8
121.63818	0.6
125.02454	4.5
129.01924	1.3
129.12846	1.4
131.03506	3.4
139.00104	0.6
143.03502	3.0
149.04541	2.0
159.02968	4.5
161.04550	24.2
161.05887	1.4
165.01894	1.0
199.13359	1.0
233.06711	2.8
291.18137	99.8
292.18430	8.1
293.08694	2.1
335.16946	0.7
335.36865	0.7
386.93332	0.6
423.22345	100.0
424.22775	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	423.141
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	0.9
59.01375	2.9
61.98808	0.5
68.99821	0.5
69.25190	3.5
71.01360	1.0
72.99316	0.5
73.02944	2.4
75.00878	2.6
77.52542	0.4
82.02982	4.6
82.79432	0.3
83.01423	0.4
85.02960	0.6
85.06623	0.6
87.00880	1.2
87.04497	1.8
89.02442	0.8
94.02992	1.4
96.04565	4.7
97.02937	0.6
98.19923	0.8
101.06085	0.7
120.04584	0.6
122.03734	3.3
122.06123	2.1
127.11349	0.5
130.14912	0.4
135.03012	6.4
135.25310	0.4
136.04050	1.6
137.09737	0.5
138.05614	100.0
139.05969	4.2
150.03217	0.9
150.05417	0.4
150.12979	0.4
153.09294	0.3
161.04697	0.4
163.23030	0.3
165.05559	1.0
173.11879	0.6
178.08765	0.6
188.07097	0.5
190.08748	0.9
195.06584	0.5
201.11513	0.5
202.08626	0.9
203.12869	0.5
204.06671	0.7
216.10223	1.0
217.06102	0.5
218.06985	1.9
218.11876	1.5
233.09259	3.9
237.50578	0.4
243.12442	2.2
244.09610	1.8
245.09381	1.2
249.27171	0.4
261.12466	8.8
262.12775	1.4
287.10349	5.1
288.10577	0.7
289.20026	0.4
305.11414	49.6
306.11728	4.4
405.24985	4.4
423.13959	5.7
423.19080	0.8
423.25964	11.6
424.26382	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87816	0.6
55.01873	0.8
57.03440	0.9
59.01387	4.6
61.98819	0.7
64.86141	0.7
69.62300	2.8
71.01396	1.9
72.99322	0.8
73.02945	1.1
75.00893	0.6
83.01385	0.7
85.02946	0.8
87.00902	0.9
87.04514	1.2
95.05039	0.9
97.06593	4.0
113.02449	0.6
117.01923	1.1
121.02967	1.3
123.08165	14.1
123.09003	1.1
125.09722	51.9
126.10057	2.3
135.03027	1.3
139.07648	1.4
143.10782	4.6
149.02469	0.9
165.01892	0.6
169.08702	7.8
170.25230	0.6
187.09749	100.0
188.10123	4.9
223.06047	1.0
229.10674	0.6
236.22655	0.6
238.94862	0.6
305.12405	26.4
306.12756	2.3
417.28445	0.6
423.15027	32.8
424.15393	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	423.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19276	0.6
58.00613	0.7
59.01380	100.0
60.01719	1.2
61.98838	3.3
69.59129	4.5
71.01381	11.3
72.99321	1.9
73.02954	2.7
74.99090	0.8
75.00883	1.6
82.02985	1.0
85.02966	2.5
87.00853	1.2
87.04484	0.7
89.02448	14.5
96.04583	0.9
101.02448	4.8
101.06081	0.9
113.02464	4.8
119.03516	5.2
121.03040	0.8
122.03752	1.6
123.04545	0.9
125.09755	1.1
135.03040	3.1
136.14594	0.7
137.02478	0.8
138.05620	22.5
139.05977	0.7
143.03551	0.8
149.01431	0.7
149.02448	4.0
150.03239	8.0
151.00446	1.1
153.05614	1.5
161.04630	1.2
164.04799	1.7
165.05579	9.8
166.02818	1.1
171.04295	0.7
179.05634	4.1
179.07030	0.9
181.05153	1.6
183.06636	0.9
187.09706	3.1
195.06609	5.6
231.02975	0.8
233.09494	0.8
261.12515	1.2
287.10388	1.5
305.11456	10.3
306.11865	0.8
307.99326	0.6
331.12103	2.8
336.00751	0.7
336.05408	0.9
363.16315	1.1
423.07632	0.6
423.13254	0.8
423.18295	2.2
423.26379	4.5
423.31323	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	7.4
57.03451	5.2
57.20793	0.4
58.00586	1.3
59.01380	45.1
59.34167	0.4
60.01719	0.5
63.36846	0.4
68.99823	0.6
69.03458	2.7
69.39825	2.2
69.40266	1.5
69.54045	0.5
71.01382	61.8
71.81694	0.5
72.01730	0.9
72.35731	0.5
72.99309	3.4
73.02947	35.7
75.00874	1.9
81.03451	1.1
83.01385	13.9
85.02950	35.2
86.00114	2.5
86.03282	0.9
86.64175	0.4
87.00880	4.2
89.02444	13.9
95.01385	4.1
97.02954	4.7
97.65617	0.4
99.00880	15.5
101.02442	70.1
102.02776	1.6
109.02926	0.7
111.00891	2.1
113.02451	24.0
115.03990	2.8
116.62206	0.5
119.03487	1.0
121.02960	1.8
125.02448	4.3
127.11317	1.0
127.97853	0.5
129.01945	2.3
129.12793	1.0
131.03493	3.5
139.00374	0.5
143.03456	3.3
145.01434	0.6
149.04518	2.6
157.05132	0.5
159.02991	5.1
161.04553	23.4
162.04822	0.8
165.01917	1.1
183.02954	0.6
185.22565	0.5
191.05740	1.0
197.84093	0.5
199.13344	0.9
211.02454	0.7
233.06676	4.1
241.78763	0.5
261.11273	1.9
291.18134	100.0
291.74503	0.5
292.18436	8.4
293.08746	1.1
335.16953	0.8
423.22345	96.0
424.22668	11.3
438.07999	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.0933
Annotation	Unknow
Peak:m/z	Relative Intensity
54.91150	0.8
55.01869	2.6
59.01371	5.9
60.56752	0.8
61.27810	0.9
61.98822	1.8
68.99818	1.0
69.24070	6.5
69.24482	1.9
71.01380	56.6
72.01701	1.6
72.44653	0.8
72.99308	8.1
83.01403	5.2
87.00871	57.5
99.00877	16.0
102.71353	0.9
103.05533	2.6
111.00859	1.4
113.29446	0.8
115.00379	3.3
117.29810	0.8
119.05042	2.8
121.02933	4.1
122.06124	2.2
127.00359	8.7
142.98819	1.7
142.99854	14.2
147.04517	100.0
148.04868	5.0
152.07187	3.3
184.91216	1.0
187.02452	1.0
190.05054	2.0
191.10974	0.8
222.07700	1.0
223.07864	0.9
231.05013	1.2
235.06096	28.2
236.06366	1.2
261.12463	1.6
275.04068	3.4
330.14801	0.9
387.15588	6.3
388.15747	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.0935
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90709	1.3
51.91208	1.3
55.01876	2.7
59.01376	30.0
61.98822	8.9
67.01888	3.1
68.99823	7.0
69.03460	5.2
69.22818	12.9
71.01382	17.5
72.99297	11.0
73.02960	3.5
75.00830	1.3
77.89106	1.3
81.03443	3.9
83.01362	6.7
83.05046	1.8
85.02952	7.3
87.00886	10.0
89.02438	5.6
90.03463	1.5
91.01931	2.1
93.03458	6.2
95.01395	4.2
95.05035	1.9
96.99314	2.2
97.02938	3.8
98.19936	3.4
99.00872	10.8
99.04537	1.6
101.02445	7.1
107.01404	2.0
109.02960	13.3
111.00901	7.7
113.02454	7.2
119.03506	1.9
119.05029	6.7
120.99665	2.2
121.02957	100.0
122.03277	2.8
123.00887	6.9
123.08157	3.0
125.02464	10.6
125.09733	6.3
127.00365	4.0
129.01929	2.7
135.00887	7.0
135.02946	2.0
136.01678	2.2
136.07655	3.2
137.02434	20.8
138.05554	1.5
139.00381	9.0
139.04001	2.0
141.01964	5.1
147.04494	2.8
149.02422	4.6
151.00385	4.7
153.01900	7.4
155.03468	3.9
156.20033	1.5
163.04054	7.4
164.04785	2.8
165.01936	42.0
168.06685	2.0
169.01436	8.3
179.07135	2.3
181.01445	5.0
183.03001	25.3
187.09734	13.3
191.03462	1.4
193.01445	2.7
195.06607	2.3
205.63995	1.8
211.02451	20.2
212.02736	1.3
222.04111	1.7
263.12958	2.2
305.12378	3.7
305.18881	1.4
321.15933	1.4
423.16382	8.6
423.22073	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.0935
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	3.0
59.01373	3.7
61.20230	1.2
65.61613	1.0
71.01381	68.9
72.01727	1.3
72.99306	6.6
83.01391	5.3
85.02930	1.4
87.00874	79.1
88.01160	0.9
88.19491	1.1
96.95988	1.1
98.00105	1.2
98.20698	1.5
99.00882	16.9
101.28211	1.3
103.05553	4.5
115.00361	3.2
119.05012	1.4
120.99587	1.0
121.31171	1.2
127.00376	12.2
142.99875	13.7
143.36304	1.0
147.04520	100.0
148.04877	5.8
166.85770	1.0
197.91013	1.0
231.05069	2.2
235.06091	22.1
236.06418	1.5
275.04111	2.4
347.93127	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1628
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27316	8.4
59.01375	100.0
61.98812	18.1
71.01379	22.2
71.55361	9.0
72.99330	9.0
73.02937	36.7
74.31761	7.8
75.00869	16.1
76.87183	8.0
85.02969	10.0
87.00864	12.6
87.04543	9.0
89.02431	13.2
97.06615	12.4
99.00869	11.2
101.02475	10.9
106.79337	7.6
125.39478	8.6
135.03046	8.3
150.03217	25.5
165.05553	31.6
167.03476	29.3
191.95073	8.3
195.06587	9.0
217.14401	17.4
225.04008	15.0
259.15491	11.0
269.05582	12.3
275.55185	10.0
286.47412	8.1
303.17978	17.8
315.08731	12.3
331.08258	8.8
333.19092	29.7
361.22116	12.4
363.10931	10.3
421.16101	62.1
421.25076	60.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	2.1
57.10559	0.9
58.00588	1.5
59.01381	46.7
59.81091	0.8
61.98814	1.9
69.03445	1.2
69.42532	3.8
69.42960	2.6
71.01007	1.5
71.01382	22.4
72.92746	1.0
72.99284	2.9
73.02946	55.6
74.03259	1.2
78.15057	0.9
78.98597	1.0
79.95724	1.9
80.96515	14.5
83.01385	1.8
85.02944	4.9
87.00876	2.1
89.01926	1.6
89.02450	24.8
91.15802	0.9
94.98068	3.4
95.01371	2.1
97.02969	0.9
98.20652	1.5
101.02456	11.9
105.07072	3.5
107.05029	2.6
113.02460	7.9
119.03506	8.2
121.02940	2.9
121.06574	1.3
123.08176	23.6
124.08438	2.1
134.97586	1.0
143.03438	1.7
148.99106	1.7
161.04539	1.5
164.98608	2.9
167.07133	100.0
168.07509	5.5
179.05664	5.5
179.10730	3.8
185.08189	1.5
193.00275	1.0
197.11848	14.9
198.11995	1.0
216.98601	1.0
223.09746	2.0
225.00757	3.2
241.10814	84.2
242.11156	6.1
259.11853	1.9
299.04291	1.2
345.33542	0.9
347.09564	1.0
347.13394	5.4
421.08304	18.9
421.17068	82.4
422.08389	2.2
422.17392	10.4
425.20386	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2363
Annotation	Unknow
Peak:m/z	Relative Intensity
58.65121	1.2
61.98833	1.8
64.57854	1.2
67.54197	1.1
69.95507	6.7
73.56139	1.4
73.56558	1.3
78.95909	1.6
80.96525	2.2
96.53960	1.7
98.20635	1.9
110.98505	1.6
118.95848	1.3
147.58876	1.3
163.11281	100.0
164.11638	7.1
185.02173	4.5
257.23956	1.4
339.23282	66.8
340.23648	9.7
379.21118	1.4
421.22440	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	2.0
57.03435	1.3
58.00585	0.5
59.01382	70.6
60.01731	0.9
61.98838	0.6
71.01381	15.3
71.39534	0.4
71.55768	0.6
71.56200	0.4
72.99314	1.6
73.02950	5.9
73.23219	0.5
75.00857	0.6
79.95759	0.7
83.01396	3.9
85.02951	9.9
87.00887	1.1
89.02445	2.4
95.01390	1.4
97.03005	0.6
99.00874	3.0
101.02446	15.1
101.03101	0.9
108.75614	0.5
111.00885	0.8
113.02453	6.7
119.03453	0.7
119.04951	0.4
125.02470	0.6
126.08747	0.4
133.30048	0.5
138.67978	0.5
143.03484	0.5
147.04552	2.0
149.99541	2.7
159.03061	0.8
161.04533	3.2
161.71268	0.4
164.89523	0.4
177.61429	0.5
188.83719	0.5
243.23064	0.5
253.06035	0.7
295.09750	0.5
313.05618	4.3
361.22183	3.2
362.22693	0.9
403.23331	5.9
404.23535	0.7
421.24423	100.0
422.24774	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	421.2594
Annotation	spinosyn macrolactone
Peak:m/z	Relative Intensity
50.38619	1.4
54.84000	1.6
56.21367	1.4
59.01383	9.2
61.98834	2.6
71.10136	2.1
71.10460	2.8
74.38084	1.5
74.71793	2.0
81.03425	2.2
83.05026	8.9
85.06571	3.6
97.06595	2.6
109.06612	1.7
111.08143	3.8
125.09710	9.0
141.09183	1.9
171.10275	23.0
172.10718	2.3
187.15018	2.0
189.16356	1.8
205.15945	3.8
209.11821	3.1
211.13376	7.3
215.14359	3.6
221.15482	2.4
231.13770	2.0
233.15459	33.2
234.15762	3.0
249.14990	12.3
265.18225	1.9
312.20352	1.7
319.72977	1.6
331.26501	1.7
377.26834	3.1
385.23663	7.4
393.26486	2.9
403.24905	63.8
404.25262	7.1
421.25922	100.0
422.26346	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	421.1631
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32780	3.0
54.11609	3.2
57.03443	15.4
58.00595	4.1
59.01379	100.0
61.98830	18.5
66.96190	3.3
69.03442	4.8
69.27047	32.3
70.02998	4.7
71.01382	56.8
71.05019	11.6
72.99313	8.7
73.02936	34.6
75.00877	7.3
75.85559	3.3
83.01414	4.3
83.05055	5.2
85.02950	21.3
85.06572	4.1
87.00877	12.9
87.04518	22.0
89.02453	37.6
93.03457	6.5
95.01417	3.9
97.06597	6.3
99.00863	4.0
99.04518	8.5
101.02447	36.7
101.06070	8.4
109.06585	6.9
111.08155	3.5
113.02433	19.8
119.03520	19.6
121.02995	4.0
123.08163	5.0
125.09857	4.1
127.07686	5.8
130.03314	6.3
135.02917	4.5
135.08131	4.2
137.02446	4.6
137.09717	6.2
139.04065	3.6
141.09258	4.8
143.03488	5.4
146.08237	40.1
153.09256	5.7
157.08713	10.2
161.04543	11.4
163.04073	4.6
165.05559	4.7
173.58646	3.9
179.05650	4.5
187.09709	29.9
195.06462	4.6
197.11832	4.6
203.12787	5.3
215.07024	3.9
217.10657	27.0
241.10690	6.2
241.14493	10.1
255.06528	8.1
259.15503	8.5
269.05566	3.8
277.12216	57.5
278.12704	4.8
303.14609	3.7
303.17996	14.5
327.09680	9.0
332.12073	3.8
333.19263	6.3
361.22504	4.8
377.18008	7.9
379.23376	7.3
389.14301	3.8
403.23370	38.7
404.23740	5.1
421.16147	13.8
421.20258	20.2
421.25250	69.7
422.24432	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	421.0809
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	1.4
63.96244	0.8
69.03448	0.7
69.47764	1.3
69.48167	2.1
71.01382	8.3
72.99293	0.7
73.02939	2.0
78.98592	6.6
79.95737	11.2
80.96516	72.5
81.03445	0.7
83.01347	0.6
85.02943	3.1
87.00888	2.8
87.33173	0.5
94.98088	15.2
96.96033	0.7
97.02934	1.3
97.10603	0.4
98.19900	1.0
99.00912	0.6
99.95084	0.4
101.02448	1.9
102.75938	0.4
103.16588	0.4
106.98096	3.3
121.02955	8.1
122.97571	3.4
125.02457	1.9
134.97568	4.3
136.99118	1.5
148.23631	0.5
148.99123	6.0
152.98627	4.5
160.91737	0.5
164.98619	8.0
165.35461	0.6
167.07140	0.6
179.75635	0.4
206.33371	0.5
206.97949	0.5
206.99599	2.2
225.00729	9.7
226.00969	0.5
241.10806	2.0
299.04398	6.3
300.04913	0.9
421.08090	100.0
422.08426	14.5
437.47128	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.0774
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73095	0.1
54.03832	0.1
55.01873	0.5
57.03418	0.2
59.01374	1.8
61.98818	0.2
68.99819	0.2
69.03447	0.3
69.33670	1.1
71.01378	9.8
72.01731	0.1
72.99303	3.9
73.02945	1.0
83.01378	2.0
85.02927	0.7
87.00876	11.2
88.01192	0.3
89.02437	0.3
92.09528	0.1
97.02965	0.3
98.00052	0.2
98.19941	0.3
99.00881	2.9
101.02431	0.9
103.05527	2.5
111.00886	0.2
112.98767	0.2
113.02448	0.5
115.00369	0.8
119.05025	1.1
121.75710	0.1
127.00370	1.8
129.01929	0.3
134.02194	0.1
139.00328	0.2
139.03961	0.1
141.01913	0.3
141.17183	0.1
142.99866	1.7
147.04514	100.0
148.04855	5.2
156.22989	0.1
161.04517	0.3
167.96519	0.1
185.01006	0.2
195.08064	0.1
235.06087	11.7
236.06476	0.8
236.08450	0.1
259.19131	0.3
274.32281	0.1
289.16632	0.4
312.20810	0.1
346.06732	0.1
347.02005	0.1
388.29242	0.1
403.23468	0.2
415.02298	0.1
421.24539	3.2
422.24734	0.3
427.94214	0.2
434.23450	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.081
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04900	0.6
52.10553	0.5
59.01384	6.1
61.98820	2.9
63.96236	1.2
64.67722	0.5
69.03452	0.9
69.42355	4.2
71.01382	9.1
73.02948	4.4
78.98589	6.8
79.01913	0.6
79.95731	8.8
80.96519	69.9
81.03455	0.8
83.01399	0.6
85.02964	3.4
87.00866	2.4
89.02458	2.2
94.98084	15.8
95.01406	1.1
96.96027	0.8
97.02961	1.5
97.14550	0.6
98.20641	0.7
99.00903	0.6
101.02428	4.1
106.98086	3.2
113.02460	0.9
118.94761	0.4
119.03452	0.7
121.02962	11.0
122.03330	0.6
122.97587	7.6
125.02448	2.5
127.04021	1.1
134.97588	4.3
136.99112	1.1
148.99126	5.7
149.40981	0.5
152.98611	7.8
164.98625	9.1
167.07149	0.9
179.05566	0.9
182.99677	4.4
206.99669	3.2
217.97993	0.6
225.00737	16.5
226.01144	0.9
241.10692	1.2
243.01784	2.0
259.15430	1.4
266.98328	0.6
299.04449	6.8
299.07803	0.8
421.08090	100.0
422.08389	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	419.3016
Annotation	Unknow
Peak:m/z	Relative Intensity
55.51566	0.5
57.78347	0.5
58.77990	0.5
59.01375	2.1
59.48598	0.5
61.98833	0.8
71.01376	1.6
85.02966	0.5
98.20699	0.8
100.21195	0.6
101.02422	1.0
124.66070	0.5
163.06104	3.3
255.23299	100.0
256.23651	10.0
315.41980	0.7
330.87231	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.1513
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	0.7
59.01376	7.2
61.98831	100.0
69.47427	0.5
71.01387	2.6
71.05050	0.7
73.02941	2.6
83.01378	0.6
83.05023	0.7
85.02953	0.7
87.00858	0.8
89.02465	2.1
97.06622	0.6
101.02460	1.8
113.02441	1.1
119.03555	1.3
120.34521	0.5
125.90544	0.5
135.03021	0.6
150.03293	0.6
153.09302	0.6
217.10860	0.7
220.40056	0.6
241.14455	4.0
303.18204	2.0
333.19052	0.6
335.20752	0.8
377.18274	0.9
420.23877	0.9
421.19897	5.1
421.24872	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	420.2754
Annotation	6-Deacetylperegrine
Peak:m/z	Relative Intensity
59.01363	1.1
60.99311	0.7
61.98818	1.1
69.69306	3.8
72.34781	0.6
88.98823	0.6
93.03459	1.3
98.20646	0.8
121.02957	100.0
122.03283	3.9
159.86055	1.3
220.14485	0.9
220.89825	0.6
294.74805	0.7
336.26602	0.7
399.39264	0.8
420.27551	53.6
421.27841	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	421.0774
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.5
57.03440	0.3
58.00604	0.1
59.01380	7.1
61.98834	0.3
68.99794	0.1
69.03448	0.2
69.25122	1.3
71.01379	9.1
71.24958	0.1
72.01715	0.1
72.99306	3.9
73.02946	0.8
79.95711	0.1
83.01389	1.6
84.15804	0.2
85.02945	1.2
87.00874	9.0
88.01239	0.1
89.02443	0.3
93.03423	0.1
95.01398	0.2
96.96060	0.2
97.02940	0.1
98.00050	0.2
99.00882	2.7
99.01525	0.2
101.02438	1.6
101.03951	0.1
103.05526	1.8
111.00890	0.2
113.02459	0.7
115.00384	0.7
115.14854	0.1
119.05050	0.9
127.00370	1.3
129.01903	0.2
139.00400	0.1
142.99852	1.5
147.04517	100.0
148.04848	5.6
157.01506	0.2
159.02986	0.2
161.04564	0.4
181.33044	0.1
199.16898	0.2
235.06093	12.6
236.06444	0.9
273.02567	0.1
289.73758	0.1
324.55978	0.1
361.22568	0.2
403.23318	0.6
421.24396	9.2
422.24719	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1559
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	4.1
58.00590	3.8
59.01381	91.8
60.01683	2.1
61.98821	4.9
69.03456	4.0
69.34917	12.8
71.01382	42.4
72.99316	4.3
73.02942	8.2
75.00861	3.1
79.05512	2.7
83.01365	3.5
83.05031	5.0
85.02940	11.0
87.00858	4.6
87.04555	1.8
89.02444	45.5
90.02780	2.6
95.01413	4.0
95.05006	3.5
97.06571	3.0
99.00886	2.9
99.04527	7.0
101.02432	19.1
107.05032	3.5
107.08659	7.0
109.02928	2.4
113.02444	13.1
115.04040	2.1
118.97940	2.0
119.03503	15.8
121.03028	2.6
125.02451	2.2
133.10248	48.0
134.10617	3.1
135.02972	7.3
143.03514	3.6
149.04477	3.4
151.03937	2.3
151.11264	9.5
161.04570	4.7
165.09167	3.4
177.09209	100.0
178.09541	7.6
179.05626	5.8
186.16704	1.8
195.10278	23.7
221.08183	29.6
222.08443	4.3
237.58910	1.6
239.09216	31.0
239.12878	3.2
263.70847	1.8
284.26138	1.8
301.16504	5.4
317.16013	20.3
343.58926	1.9
375.16525	2.5
401.14401	28.9
402.14807	3.6
419.14819	18.8
420.26202	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	2.4
57.03431	5.0
58.00581	2.4
59.01382	90.0
61.98805	4.3
69.03464	2.2
70.26757	3.7
70.27164	2.6
71.01006	2.7
71.01384	43.4
71.05007	2.8
72.01662	1.5
72.99300	4.9
73.02947	11.9
75.00855	4.2
81.03432	2.5
83.01388	5.5
83.05027	3.2
85.02950	12.2
87.00870	5.5
87.04494	5.2
89.01927	2.5
89.02451	34.6
95.01389	2.8
95.05058	1.7
95.10541	1.4
97.06573	4.0
99.00875	3.2
99.04512	6.5
101.02455	26.0
107.05003	1.9
109.02942	2.8
109.06557	2.0
113.02453	14.1
113.06106	7.0
118.98092	1.5
119.03515	13.9
120.99639	2.9
125.06054	1.8
127.07598	1.4
129.01923	2.4
131.06915	1.3
135.03008	9.9
136.99129	2.6
139.04141	1.5
139.07596	3.3
141.05579	1.4
141.09210	3.4
151.03969	2.0
151.07661	2.0
156.20444	1.5
161.04530	3.7
168.02454	2.2
177.12825	2.8
179.05659	2.6
183.06255	1.5
195.10170	2.3
195.13884	14.2
213.14928	5.3
239.12883	17.2
241.10718	1.5
301.13187	2.5
301.16492	10.1
338.29919	1.5
359.11234	2.9
375.15668	2.1
375.20242	32.8
376.20456	4.5
377.21448	1.7
419.19067	100.0
420.19568	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	419.0962
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	59.5
61.98829	92.4
68.99835	10.5
69.03461	15.1
70.81298	9.1
70.81638	12.4
71.01368	53.1
72.99311	24.7
78.91926	6.3
80.91708	8.9
83.01380	15.4
85.02966	16.3
86.00081	9.0
87.00869	52.9
89.02464	11.2
95.01402	12.2
97.02933	7.0
99.00884	26.3
99.75481	6.0
101.02429	37.8
111.00886	23.7
111.04510	7.2
113.02416	14.5
115.00393	7.1
120.01231	24.0
121.02926	6.8
122.94078	6.4
125.02497	13.7
127.00394	100.0
129.01976	35.9
129.59866	6.1
130.03816	6.0
135.46645	6.6
139.58533	5.9
141.01920	10.3
154.05043	10.1
154.98151	8.1
155.03447	7.0
155.98877	32.4
157.01431	53.0
165.36093	6.1
169.01427	17.5
171.01244	19.7
175.02513	14.7
177.01811	6.0
178.05095	12.8
189.04056	19.3
197.08192	14.4
199.02446	23.2
229.03532	18.7
257.02985	10.6
287.04166	34.4
292.64667	6.4
299.07156	10.5
319.06702	23.5
333.06412	14.3
357.46368	6.0
372.44928	6.2
407.30618	7.1
407.94434	6.5
419.12115	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	419.1097
Annotation	Eiseniaiodide B
Peak:m/z	Relative Intensity
57.03442	2.1
59.01377	44.6
59.98494	1.1
60.01699	0.7
61.98828	2.3
63.87761	0.7
67.01823	0.7
69.03452	0.8
71.01381	6.6
71.05010	0.9
71.55362	0.9
72.99289	1.9
73.02951	8.1
75.00871	1.6
83.01398	1.5
85.02948	3.6
86.58114	0.8
87.00883	2.0
87.04520	1.5
89.02451	3.6
92.05037	2.1
95.01388	0.8
95.05041	0.7
97.02977	0.9
97.06573	2.6
99.00843	1.1
99.04496	1.0
101.02446	5.3
101.06082	1.2
104.05064	1.0
113.02462	3.1
113.06057	1.0
115.03960	0.8
119.03484	0.7
120.04538	4.8
120.99621	1.3
121.06561	0.8
122.06116	4.0
123.08160	1.8
125.06148	0.9
132.04515	1.3
133.01695	1.6
135.03024	2.5
138.38101	0.7
139.07617	1.4
141.09259	1.9
143.07146	1.3
147.03267	12.1
148.04044	9.4
149.02428	2.1
150.03188	3.7
150.05559	2.2
151.00436	1.2
153.09250	0.8
155.10719	1.0
157.08763	1.1
161.04591	0.9
162.05672	0.8
164.03508	1.3
164.04781	0.9
165.05603	4.2
165.09277	1.0
166.02635	1.8
167.03047	1.4
167.10806	2.0
168.03108	1.0
172.11325	1.2
175.02686	4.5
176.03537	10.2
179.05840	2.1
181.05055	2.5
182.05368	1.1
183.05450	1.3
184.06348	2.0
187.08672	1.0
192.02914	0.8
193.12250	1.1
195.06596	2.2
197.07063	1.1
198.07880	0.8
199.04990	1.1
199.08656	3.7
200.20853	0.7
206.04501	3.6
207.05354	1.4
208.03775	0.8
208.05913	0.8
210.07700	1.0
211.08740	1.1
212.05632	0.9
212.10921	1.8
213.06636	0.9
213.10249	1.0
215.08392	1.7
215.11868	12.9
216.12273	1.1
219.01646	1.1
223.06163	3.4
225.06682	3.1
225.10349	2.5
226.07413	1.7
227.04460	3.8
227.08127	4.5
227.11771	1.6
231.12395	1.4
237.06647	1.0
238.07376	3.0
239.08267	1.2
239.16504	0.9
240.09044	6.0
241.07541	1.2
241.09749	7.2
242.06967	1.5
243.07748	5.4
243.11365	2.4
244.08182	0.8
253.09837	4.4
254.10637	1.0
255.07692	2.1
255.11392	5.5
256.09671	2.6
257.09061	1.1
257.13943	1.5
265.06247	1.9
266.06918	6.6
267.07172	0.9
269.05615	4.2
269.09268	2.0
270.06158	1.2
271.07303	1.5
271.10880	6.8
276.58499	0.9
281.09271	16.3
282.09583	1.0
283.07291	2.0
284.08026	2.3
285.08850	0.9
297.08810	1.7
299.10352	11.0
300.10672	0.9
301.16586	6.9
303.09851	1.0
313.11920	2.6
317.10959	0.8
318.93777	0.7
325.08374	3.7
331.12997	3.1
331.17584	5.6
332.13443	0.9
343.09338	4.9
357.10849	3.6
359.16626	1.4
359.20740	1.7
369.07550	1.6
375.11926	5.8
375.20078	1.1
376.11887	1.1
377.21976	1.1
387.08310	2.9
389.11783	0.9
401.10019	2.6
401.21921	1.4
419.10931	100.0
419.18118	10.5
419.23969	11.5
420.11176	15.0
420.23691	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40033	1.0
55.01867	2.2
57.03441	2.9
58.00570	1.5
59.01380	100.0
60.01714	1.1
61.98834	9.6
62.00142	0.9
65.59586	0.9
69.03458	1.9
69.37354	7.7
71.01383	53.7
71.05029	1.4
72.01723	1.9
72.99306	3.9
73.02951	17.3
75.00847	1.3
81.03458	1.0
83.01386	5.9
83.05029	1.5
85.02945	24.3
87.00885	3.0
87.04434	1.3
88.48637	1.1
89.02446	17.8
95.01395	3.4
95.05042	1.1
97.02933	1.2
97.06581	1.3
99.00883	7.9
99.04567	1.1
101.02440	37.4
102.98602	1.5
106.04568	1.0
111.08180	5.2
113.02451	26.1
113.06040	1.3
119.03508	3.6
120.99609	2.6
121.02981	1.5
125.02440	1.3
135.02989	1.9
135.04552	1.4
136.99121	1.2
139.07649	28.2
140.08090	1.5
143.03503	2.5
159.02963	4.8
161.04558	50.7
162.04863	2.3
167.03413	1.1
176.08823	1.0
187.87656	1.0
193.12331	6.2
195.10248	4.0
209.54898	1.3
212.25259	1.1
237.11400	8.7
241.07245	1.6
299.14963	2.6
354.10989	2.1
357.15518	14.9
358.16028	1.4
373.18573	3.4
417.17801	32.3
418.17993	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	417.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01895	0.8
55.38014	0.6
57.03454	1.3
58.00591	1.0
59.01381	100.0
60.01740	0.8
61.98837	1.9
64.23008	0.8
69.03464	0.7
69.30206	1.3
69.30608	4.5
71.01382	24.0
72.01733	0.8
72.99315	2.4
73.02935	4.3
83.01388	3.0
83.05062	0.8
84.05225	0.6
85.02953	6.4
87.00882	2.2
88.88419	0.6
89.02446	22.6
89.52531	0.7
93.42525	0.6
95.01396	1.4
98.19917	1.0
99.00894	1.8
101.02444	15.8
102.98605	0.9
111.04543	0.8
113.02452	11.1
113.06094	1.9
116.29965	0.7
119.03490	9.5
125.02464	1.0
131.03531	1.6
135.03011	2.3
137.02480	0.6
143.03519	2.7
147.02106	0.7
149.04578	1.2
151.11284	0.8
159.03020	1.8
160.12796	0.6
161.04567	15.7
166.02759	1.3
177.09216	4.6
179.05624	5.1
181.05116	1.5
181.69565	0.6
193.12349	0.6
195.10394	0.7
237.11296	1.3
239.86449	0.8
254.03780	1.1
275.99619	0.6
299.14969	1.7
357.15546	18.5
357.19882	1.0
358.16000	2.5
375.20108	0.8
379.35901	0.6
381.77393	0.6
417.17453	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	417.3222
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
69.44994	31.4
69.45403	11.3
74.06836	4.1
74.47764	3.9
77.63174	4.9
84.78482	4.5
97.55190	4.7
98.19833	5.4
194.99614	4.6
417.21030	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	418.0837
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06398	0.7
59.01388	1.2
61.98830	100.0
63.03268	0.7
68.22928	0.7
71.01378	0.7
71.39507	0.6
71.53588	1.2
87.00887	1.5
111.00945	0.9
112.98527	1.1
113.02534	0.8
116.63367	0.8
127.00372	1.1
150.10655	0.7
175.02457	0.7
219.77231	0.7
319.44543	0.8
327.75919	0.7
364.64566	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1554
Annotation	Magnostellin B
Peak:m/z	Relative Intensity
55.01876	0.8
57.03452	0.4
58.13567	0.3
59.01382	5.0
60.01692	0.3
61.98828	0.7
67.01889	0.8
68.99811	0.9
69.03451	1.0
71.01379	3.2
71.55596	0.4
72.99302	0.6
73.02952	1.1
79.01939	0.3
80.18578	0.3
81.03468	0.9
83.01391	1.9
83.05061	0.4
84.02174	0.5
85.02950	2.0
85.06597	0.3
87.00875	0.9
88.54315	0.3
89.02436	0.8
89.83405	0.3
90.01723	0.3
93.03454	1.0
95.01389	2.0
95.01915	0.3
95.05013	0.8
95.34605	0.3
97.02949	1.2
99.00877	1.3
99.04509	0.8
99.38753	0.4
101.02456	1.8
103.05574	0.5
107.05047	0.7
108.02151	0.4
109.02963	4.3
111.00870	3.4
111.04520	0.7
111.08170	0.3
113.02488	1.4
114.79204	0.3
115.00421	0.6
119.03563	0.4
119.05038	0.6
121.02953	1.6
121.06608	0.4
123.00871	4.7
123.04546	0.9
124.01660	0.7
125.02444	2.3
127.00375	0.7
133.01491	0.3
133.02951	0.4
136.01666	0.4
137.02443	17.6
138.03038	0.7
139.00360	2.3
139.03989	1.1
145.02913	0.5
147.04520	8.7
148.04872	0.7
149.02446	2.1
149.06071	0.7
150.03232	0.5
151.00366	27.3
151.03989	2.3
152.01199	2.4
152.04778	3.3
153.01912	1.4
153.05522	0.3
157.01396	0.4
159.04543	0.9
160.05299	0.3
161.02399	0.8
162.03214	0.5
163.04005	0.8
164.01181	0.4
164.04828	0.5
165.01932	1.8
166.02713	67.0
166.99930	2.0
167.03400	5.5
169.01482	0.6
169.04976	0.3
173.02446	0.5
175.03976	1.3
177.01932	4.1
177.05450	0.3
177.69385	0.3
178.02689	0.9
179.03537	0.7
181.05066	100.0
182.05388	4.8
183.03067	0.4
184.03789	0.9
188.32204	0.3
189.05592	0.4
190.02779	0.7
190.06357	1.3
191.03510	1.0
192.04337	1.6
193.05048	1.0
195.02982	1.0
202.05983	0.3
203.03467	0.5
204.04213	0.4
205.05054	1.1
205.08647	2.1
207.06627	1.1
209.04608	0.7
211.02470	0.9
219.06416	0.6
224.03372	0.3
227.03500	8.1
228.03668	0.4
229.05060	0.3
237.14954	0.4
255.02992	10.6
255.12401	1.4
256.03568	2.0
284.03259	8.6
285.03870	2.9
287.16693	0.5
299.05615	0.4
299.15018	0.9
301.07297	0.7
311.09177	0.4
314.07886	0.5
329.10370	0.7
341.10239	0.4
344.08972	0.3
357.10025	0.8
359.11386	2.6
371.14935	0.9
372.15402	0.4
387.10864	16.3
388.11169	2.1
402.13199	13.1
403.13477	1.3
417.08298	13.5
417.15533	27.1
417.20517	1.2
417.25006	0.8
418.09073	2.2
418.15854	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	417.1767
Annotation	Ascleposide B
Peak:m/z	Relative Intensity
50.81772	0.7
55.01876	1.5
56.98029	0.8
57.03450	13.6
58.00592	1.9
59.01382	46.2
61.98833	14.8
69.03454	2.3
71.01384	28.8
71.01777	1.4
71.55364	1.0
72.97523	2.5
72.99303	4.1
73.02572	0.9
73.02940	5.0
74.99110	2.3
75.00868	1.8
79.05517	0.8
81.03470	1.2
83.01395	3.1
83.05040	4.4
85.02953	11.3
87.00883	3.8
89.02447	25.3
90.02813	0.8
90.09366	0.6
90.98578	0.7
93.03447	1.4
95.01387	2.6
95.05041	2.0
97.06599	1.6
99.00890	2.8
99.04486	1.0
101.02446	19.0
107.05064	1.0
108.08257	0.8
111.08159	2.1
113.02441	10.6
113.06078	1.0
115.04017	1.1
115.19537	0.7
118.98051	0.9
119.03503	10.8
119.04911	1.0
121.02975	0.8
121.39108	0.7
123.00867	0.9
123.04519	1.5
123.07419	1.0
123.08173	5.5
124.01669	1.9
125.02467	2.8
125.06062	0.8
129.01956	0.7
129.12036	0.6
131.03467	0.7
135.02992	2.2
135.08195	5.1
136.99066	1.0
137.02444	1.5
137.06117	1.0
138.03207	1.4
143.03497	0.8
144.90660	0.9
149.04590	0.9
149.06113	0.8
149.99614	2.9
151.11287	1.7
152.70186	0.6
155.07130	3.4
155.08444	0.6
161.04526	2.6
165.05501	0.7
166.99846	1.3
167.03497	1.0
168.00623	4.0
170.19899	0.9
175.11292	4.7
179.05669	0.8
182.08163	1.0
185.00966	0.8
191.05701	1.7
192.06032	1.2
193.12302	4.3
195.06619	1.4
197.04520	1.5
197.08061	0.7
211.13373	2.6
219.12373	1.0
237.07687	1.1
251.99097	1.5
255.08559	1.1
255.12503	1.3
284.38956	0.7
322.86533	0.7
331.06656	2.6
373.07800	3.0
399.05780	1.1
417.06479	3.0
417.17697	100.0
418.18106	12.9
426.93295	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
55.65007	0.9
57.03455	1.6
58.00584	2.7
58.99615	1.2
59.01379	82.3
61.98822	4.4
69.03438	2.4
71.01382	49.4
71.54094	1.4
72.99300	3.9
73.02943	13.5
74.99113	0.9
75.00866	1.1
83.01375	2.2
83.05029	1.2
85.02954	8.1
87.00869	3.9
89.02444	100.0
90.02739	1.8
95.05000	1.0
97.02962	2.0
97.05672	0.9
99.00884	25.2
99.04528	1.3
101.02441	40.1
107.04967	1.2
113.02447	10.7
113.06151	1.2
115.04013	1.1
119.03498	7.2
121.03023	0.9
123.04526	1.1
125.02467	2.9
131.03506	14.5
135.02971	3.5
143.03496	3.5
149.04558	60.1
149.09682	0.9
150.04828	1.2
159.58073	0.9
161.04601	4.5
167.01675	1.3
175.04083	0.9
179.07169	3.5
181.05034	1.2
185.00806	1.6
191.05586	13.1
193.12344	1.8
195.10117	1.1
219.10332	1.4
221.06607	4.5
237.11272	3.2
251.07683	4.3
287.09564	2.3
293.08817	1.6
299.11478	1.7
299.14871	1.6
311.09778	3.1
417.17886	11.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1403
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00122	1.0
53.86966	1.0
57.03458	1.1
58.00593	3.2
59.01379	69.0
61.98839	4.0
67.05630	0.8
69.03443	2.9
69.59743	2.2
69.60155	3.4
71.01384	47.5
72.01720	1.0
72.99316	3.1
73.02950	16.2
81.03448	1.2
83.01382	2.4
85.02946	6.9
87.00887	2.2
89.02446	100.0
89.55833	1.0
90.02782	1.0
95.01358	1.2
97.02943	1.3
97.06583	1.1
98.19889	1.7
99.00882	26.0
99.04524	0.9
101.02441	41.6
113.02457	11.2
115.03994	1.2
119.03498	5.7
123.04616	0.8
125.02437	2.8
131.03493	13.9
135.02979	2.8
143.03493	2.6
149.04556	60.8
150.04895	3.7
161.04543	5.6
167.01660	1.8
175.11241	1.1
176.07104	1.0
179.05589	1.2
179.07066	3.6
183.06276	0.8
191.05595	12.7
193.12312	1.2
195.10182	1.0
219.10297	1.0
220.06094	1.1
221.06610	6.4
237.11253	2.9
251.07704	4.0
287.09677	2.2
293.08789	2.0
299.11404	1.4
299.14850	2.0
311.09741	3.4
317.60522	0.9
339.67209	0.9
417.14282	1.5
417.17789	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	417.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33672	1.0
57.03436	1.4
59.01378	51.5
61.98829	68.0
69.34277	1.0
69.58171	6.6
71.01375	6.8
72.99311	3.7
74.99078	1.3
75.00863	1.6
78.91882	1.5
81.52896	1.1
83.01392	1.1
85.02954	2.9
87.00867	2.3
89.02447	5.8
95.01373	1.9
99.00889	1.9
101.02449	5.0
105.19852	1.1
108.02166	2.5
113.02436	3.2
119.03493	3.7
122.03709	2.0
123.04532	2.0
129.05505	1.8
137.06046	1.4
150.03229	45.6
151.03534	2.7
152.01146	3.0
161.04565	2.5
165.05565	44.8
166.05919	2.6
177.05548	1.3
179.05568	2.3
180.04283	12.4
181.05096	1.2
183.06575	1.1
195.06616	100.0
196.06952	5.0
300.07581	1.1
336.84857	1.1
417.10379	3.8
417.18076	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	417.0828
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33448	1.3
55.01881	8.7
57.03442	4.8
59.01107	2.1
59.01381	25.0
65.03967	1.8
67.01880	3.8
68.99815	6.3
69.03455	8.3
69.28418	10.7
71.01379	16.2
72.99306	3.3
73.02945	5.2
74.53735	1.2
75.00869	2.5
75.10223	1.4
81.03445	5.4
83.00932	1.3
83.01387	17.7
83.05025	2.0
85.02944	18.6
87.00879	5.2
87.04487	1.8
87.49676	1.6
93.03464	5.8
95.01373	9.9
95.05025	4.3
96.99303	1.5
97.02959	10.1
98.03307	1.3
99.00882	15.4
100.96861	1.2
101.02434	7.0
101.67172	1.6
103.05538	11.4
107.01367	2.2
107.04992	2.6
108.02122	2.3
109.02957	9.3
111.00883	38.4
111.04512	8.3
113.02465	13.4
115.00340	1.5
115.02251	1.9
117.01954	2.1
119.05028	3.6
121.02956	4.7
123.00879	11.6
123.04545	4.4
124.98839	1.7
125.02444	15.7
127.00370	5.7
129.01949	3.6
135.00920	2.3
137.02452	10.4
137.09769	1.5
137.99529	1.6
138.67973	1.4
139.00378	21.0
139.04033	7.0
141.01932	3.9
147.04524	100.0
148.04884	5.7
149.02425	3.5
151.00348	7.5
151.03989	3.6
152.01151	2.1
153.01936	7.6
154.99878	2.8
155.10747	2.1
157.01399	2.8
161.05919	1.4
165.01944	7.3
166.02718	11.4
166.99861	17.2
167.03484	5.0
167.66014	1.4
168.00545	2.3
169.01413	5.4
178.99858	1.7
179.03511	1.9
181.01454	3.8
181.05075	18.6
182.99312	1.6
183.02972	2.8
191.88123	1.2
193.01299	2.2
197.00993	2.2
209.00829	1.7
211.02502	8.9
214.01161	2.5
215.01707	1.7
220.05437	1.4
226.01263	1.8
227.03549	3.1
230.42426	1.3
255.02946	3.2
269.02875	6.0
284.03268	3.5
287.16821	3.1
357.22842	2.8
359.07593	3.4
375.18527	3.5
375.23843	10.4
387.10739	5.3
402.13208	4.3
417.08267	45.5
417.15414	6.1
417.20145	2.4
417.24936	7.5
418.08578	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	417.119
Annotation	Polygonimitin B
Peak:m/z	Relative Intensity
50.13180	0.5
55.01791	2.3
57.03375	0.9
58.00526	0.5
59.01286	12.7
59.01620	2.4
61.98734	2.9
63.02319	1.3
63.02602	0.5
65.00230	9.7
65.00610	1.4
65.03895	0.6
67.01796	1.8
68.59412	0.5
68.99719	2.2
69.03356	1.9
71.01283	14.5
71.01714	1.9
72.99207	2.2
73.02850	2.2
73.03220	0.8
75.00785	1.1
79.01788	0.7
81.03358	1.8
81.15679	0.5
82.27650	0.5
83.01283	12.2
83.01820	1.2
83.04974	1.0
83.05396	0.6
83.69529	0.4
85.02850	7.5
87.00765	2.0
89.02342	7.3
89.02945	1.1
92.44733	0.4
92.86711	0.4
93.03331	1.9
95.01386	3.4
95.04939	0.5
96.95921	0.6
96.99253	0.7
97.02946	4.0
98.19897	0.9
99.00879	5.4
101.02438	8.4
102.98485	0.7
103.05470	1.0
105.01949	4.2
107.01387	17.0
107.04952	0.8
108.02126	1.0
108.66564	0.5
109.02956	4.4
111.00882	10.4
111.04410	2.1
113.02449	8.8
119.03525	3.1
119.04946	0.8
121.02963	2.4
123.00873	2.9
123.04420	1.4
125.02438	5.3
127.00263	1.7
129.01878	0.9
133.02882	0.8
135.00760	1.5
136.01572	0.6
137.02473	4.8
137.99495	0.6
139.00378	6.6
139.03908	1.5
141.01837	2.0
141.07047	0.6
145.06479	2.0
147.04524	34.2
148.04771	1.7
149.02348	1.4
149.99512	0.5
151.00366	43.2
152.00662	2.5
153.01988	3.0
154.99826	0.7
157.01334	1.1
159.02885	1.0
161.04544	2.7
164.01105	1.0
165.01932	5.6
166.99855	5.7
167.03406	0.8
168.00328	0.7
169.01398	2.5
169.06548	1.2
171.04440	2.3
175.02510	0.5
177.00560	0.7
177.01932	10.8
178.02184	0.6
179.05553	1.0
181.01323	2.1
181.04797	0.7
183.03021	2.3
183.08046	1.1
187.07533	1.0
193.01309	1.4
193.06348	0.5
197.00775	0.7
209.00890	0.5
211.02434	3.6
211.07680	2.4
213.05550	6.7
214.01144	1.0
214.05885	0.8
215.01962	0.5
226.01230	1.1
227.03445	0.6
227.07095	1.3
240.04437	0.6
254.05875	1.2
255.06613	100.0
256.04062	0.8
256.06915	10.7
268.68274	0.5
269.02899	0.9
269.08081	1.1
279.06607	0.6
284.03342	1.4
285.11349	1.2
297.07632	2.7
359.07730	0.5
417.12231	55.7
417.24896	5.8
418.08057	1.0
418.12534	9.2
418.25439	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67444	0.3
57.03439	0.5
59.01378	100.0
60.01715	1.1
64.12028	0.3
68.63468	0.3
68.90225	0.3
69.27938	2.8
71.01383	4.4
72.99303	0.6
73.02942	1.4
75.28857	0.3
79.30132	0.3
83.01386	0.8
85.02952	2.2
85.86785	0.3
87.00889	0.9
87.52694	0.3
89.02437	1.5
92.86626	0.3
95.01452	0.4
99.00888	0.5
101.02430	2.7
102.98586	2.6
105.01949	2.0
105.91206	0.3
113.02434	2.0
117.97327	1.0
119.03572	0.4
119.05059	0.3
120.99646	0.4
133.44072	0.3
135.04535	0.4
137.09818	0.3
161.04562	1.6
211.07762	0.9
217.42191	0.3
236.13792	0.3
239.10811	0.4
253.08815	0.3
261.05716	0.3
261.56076	0.4
285.15326	0.6
297.14029	0.3
333.78903	0.3
373.17798	0.4
373.22455	0.9
415.19302	0.5
415.24014	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49411	0.7
57.59958	0.5
59.01379	100.0
60.01722	1.3
69.18787	5.8
71.01365	4.2
73.02954	1.7
85.02966	1.8
87.00819	0.6
89.02469	1.1
93.10413	0.5
95.46075	0.5
101.02458	2.3
102.01006	0.5
102.98619	1.7
104.98166	0.8
113.02467	1.4
134.03726	0.6
147.04549	1.1
149.06082	1.0
158.15289	0.5
161.04599	2.1
195.75659	0.6
253.07210	0.8
319.51166	0.6
353.08395	0.5
371.15039	0.9
373.22519	1.8
415.14172	1.1
415.19165	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.3428
Annotation	Unknow
Peak:m/z	Relative Intensity
55.63105	1.1
59.01048	1.2
71.29720	2.2
72.99316	16.4
73.02943	6.2
75.00875	86.1
76.01231	1.5
91.15993	1.2
94.90903	1.1
110.30690	1.4
128.27991	1.3
144.88266	1.3
188.35216	1.3
199.51514	1.1
216.63335	1.2
232.14781	1.2
247.08144	1.3
415.34271	100.0
416.34631	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	416.2571
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	3.5
73.17484	1.1
78.95907	100.0
91.56629	1.0
103.66666	1.2
110.98534	66.8
111.98970	1.2
154.02769	1.5
157.56090	1.1
188.23642	1.0
416.25696	49.4
416.31552	2.3
417.25958	8.5
418.36960	1.1
420.76779	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.0826
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	1.3
61.93578	0.7
72.35244	0.6
93.03448	1.0
107.01390	1.1
111.00963	0.7
111.21364	0.6
129.62926	0.7
147.04529	2.1
151.00334	1.4
153.01909	0.7
183.04491	0.9
187.04066	0.8
211.04092	1.3
227.03490	65.2
228.03864	4.4
229.05049	1.3
245.16907	0.6
255.02989	82.5
256.03564	12.6
257.04404	1.6
284.03268	83.5
285.03922	23.0
286.04446	1.7
327.04892	0.8
414.40582	0.7
417.08255	100.0
418.08560	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	415.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
54.64877	0.7
55.01873	1.0
57.03438	1.2
58.00591	2.4
59.01379	75.3
60.01717	0.8
69.03450	1.8
69.65650	4.1
71.01382	61.4
72.99303	3.9
73.02946	17.5
73.86283	0.7
75.00849	0.9
77.32954	0.7
83.01398	1.5
84.05672	0.8
85.02955	6.7
87.00866	2.3
89.02444	100.0
89.77441	0.8
90.02791	1.8
92.87632	0.7
93.03457	4.3
95.01357	1.4
96.99355	0.8
97.02974	1.5
99.00882	28.2
99.04527	0.8
100.01246	0.7
101.02443	33.0
102.98603	5.0
105.01929	3.1
111.00928	0.8
113.02447	13.6
119.03511	9.0
119.04938	3.5
121.03003	1.8
125.02476	4.6
131.03513	15.9
137.09660	0.7
143.03496	2.3
143.05035	3.0
145.02974	0.8
149.04559	52.2
150.04947	1.6
161.04552	4.3
163.04030	2.1
179.05618	3.1
191.05638	13.0
205.15761	0.8
211.07610	1.1
221.06665	2.6
237.09242	1.3
251.07790	3.1
265.08765	3.0
285.15247	0.9
297.13351	1.4
320.34387	0.8
327.08722	18.1
327.12354	1.4
328.09055	2.1
415.11066	1.4
415.15646	6.8
416.16217	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00991	2.6
55.01873	9.1
56.98018	3.2
57.03442	7.5
58.00560	2.2
58.99596	10.2
59.01381	73.4
69.03452	4.8
71.01385	100.0
71.55514	3.3
72.01705	2.6
72.99300	9.9
73.02942	29.4
74.99069	3.4
83.01405	14.8
85.02956	42.0
87.00874	20.1
89.02455	32.0
94.53266	2.4
95.01394	5.4
97.02933	3.4
99.00888	15.0
101.02448	69.3
102.98601	49.6
105.01943	6.5
105.15495	2.6
111.00900	3.5
113.02452	39.1
117.97301	7.5
119.03494	8.1
119.05032	4.7
120.99660	3.3
125.09734	4.7
129.01892	2.2
131.03528	3.5
137.09720	3.1
143.03532	4.8
159.02972	10.4
161.04555	57.2
163.00697	2.9
164.36523	2.0
179.05594	3.3
179.75662	3.3
205.12323	2.8
207.12126	4.2
211.07628	3.0
238.62987	2.4
261.05890	5.4
261.56030	14.0
262.06213	5.1
267.15997	3.5
268.51724	2.2
285.15329	4.3
297.13458	4.5
341.19565	5.0
353.19693	29.6
371.20459	4.6
373.16940	3.3
385.18631	11.9
415.19278	16.6
415.24179	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	415.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	11.3
57.03442	7.0
58.00590	3.1
59.01380	65.4
69.03427	2.0
71.01381	100.0
71.40670	1.3
72.01725	1.4
72.99304	2.5
73.02948	34.5
75.00878	2.9
77.52213	1.3
83.01388	19.1
85.02953	48.6
86.03279	1.5
87.00861	4.8
89.02445	25.4
92.87119	1.3
95.01416	8.4
97.02934	3.1
99.00874	14.4
101.02444	83.5
102.02824	1.5
106.89576	1.2
111.00829	2.2
113.02444	41.4
119.03461	7.5
125.02434	2.1
129.01991	2.1
135.04486	1.3
143.03464	5.6
159.03000	11.1
161.04553	64.8
162.04926	1.6
179.05606	2.9
188.39954	1.3
201.74602	1.2
206.26494	1.6
214.22867	1.3
229.51364	1.5
239.65805	1.3
341.19534	4.4
353.19675	45.3
353.83011	1.2
354.19791	6.9
371.20691	12.4
372.21060	1.5
385.18808	6.2
397.18536	5.0
398.19174	1.5
415.19629	25.9
416.19913	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	415.2313
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27971	0.7
59.01372	1.9
69.44693	0.8
71.54273	1.5
74.99100	6.6
77.00666	76.3
78.01003	0.9
78.95907	2.0
97.33860	0.7
110.98526	1.4
117.19706	0.8
133.03897	0.8
139.00058	0.7
147.08093	1.8
149.09705	1.6
161.09683	1.6
163.11287	2.3
187.11255	2.5
209.94672	0.7
233.08607	0.9
279.13919	1.1
279.23285	0.9
280.14505	1.0
307.16968	1.3
309.22198	2.0
337.21735	100.0
338.22079	14.2
415.23260	12.4
415.28217	1.2
416.23059	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.161
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.4
58.00592	3.7
59.01380	100.0
60.01688	1.7
61.98831	9.1
63.49746	1.4
64.09747	1.3
69.03439	1.8
70.77461	1.4
71.01383	65.3
71.01781	3.3
71.54747	1.8
72.22443	1.4
72.99308	9.4
73.02946	4.2
74.99100	1.8
75.00877	2.5
76.48370	1.4
83.01379	2.7
85.02942	14.4
87.00887	6.5
87.85741	1.2
89.02446	91.1
90.02769	2.1
93.03453	3.6
95.01395	4.3
97.02976	1.6
99.00882	2.9
101.02439	33.2
113.02447	26.0
119.03506	33.3
119.04990	2.3
120.03795	1.8
121.02971	2.2
123.04526	2.9
125.02444	2.0
129.76552	1.2
131.03543	2.9
134.03757	1.9
135.02974	4.5
136.04018	6.7
137.02477	2.2
137.04355	5.0
143.03476	4.6
147.82317	1.5
149.04588	3.4
149.05989	1.5
151.03999	2.4
159.04527	1.7
161.04543	7.9
161.05957	2.7
163.03975	2.6
163.07706	1.8
165.01961	2.1
165.04105	1.8
165.05554	2.9
171.71561	1.5
175.03951	2.1
179.05661	17.8
179.07140	3.0
182.23894	1.5
189.05534	6.5
190.06358	13.4
191.03459	1.8
191.06976	2.2
191.10815	1.9
193.04993	2.4
205.08702	24.1
208.00140	2.1
208.07396	2.1
209.04568	2.7
209.08173	2.0
217.08698	1.9
223.09734	8.2
235.06197	2.8
235.09712	9.9
236.05775	1.7
236.10117	1.8
253.07292	2.6
253.10947	3.2
254.10269	2.5
275.41531	1.4
415.11420	3.9
415.16058	10.5
416.11234	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1609
Annotation	2-Phenylethyl O-alpha-arabinopyranosyl-(1->6)-beta-glucopyranoside
Peak:m/z	Relative Intensity
55.01890	1.8
57.03460	1.1
58.00597	3.4
59.01380	77.1
68.59219	0.7
69.03456	2.7
70.73608	0.7
70.73943	2.0
71.01385	55.6
72.99312	4.6
73.02946	16.5
74.68726	0.9
75.00891	1.0
83.01388	2.9
85.02947	6.0
87.00893	3.5
89.02447	100.0
90.02766	1.7
93.03469	3.8
95.01416	1.9
97.02952	1.4
97.06599	0.8
99.00886	28.0
101.02448	37.5
102.02788	0.8
102.98590	4.3
104.11611	0.7
105.01922	4.0
109.02943	0.8
113.02462	14.6
119.03524	8.4
119.05023	3.0
120.99670	1.4
121.02975	1.8
125.02439	5.2
131.03503	16.5
131.05037	1.3
136.06569	0.7
143.03500	1.7
143.05042	3.8
149.04556	51.2
150.04843	1.3
161.04553	5.7
163.04016	2.5
164.04727	1.4
179.05626	2.8
191.05595	14.0
221.06639	2.2
237.09253	1.6
251.07690	2.9
265.08673	3.2
283.15439	0.8
285.15521	2.1
327.08749	19.4
328.09073	1.7
415.15567	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	415.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	2.0
56.94280	0.9
57.03440	2.3
58.00588	3.7
59.01379	100.0
60.01712	1.8
61.29861	0.8
61.98824	1.5
68.99833	0.9
69.03452	3.6
70.40244	1.2
70.40572	1.5
71.01384	71.4
72.01713	2.1
72.99307	7.7
73.02948	9.7
75.00876	1.1
81.03449	3.0
83.01392	7.4
85.02457	1.3
85.02946	17.0
85.57658	0.8
87.00877	12.8
89.02445	86.8
90.02782	1.4
91.04020	1.4
95.01399	3.1
97.02956	8.6
99.00885	3.7
101.02441	62.4
102.02780	1.9
113.02448	27.6
114.45019	1.0
119.03504	25.9
125.02445	12.8
127.04033	1.0
131.03476	4.4
143.03528	11.2
149.04543	3.5
161.04550	11.9
179.05602	24.5
185.04552	1.9
194.34167	0.8
211.87581	0.8
221.06642	6.4
235.08165	12.9
253.09258	8.0
263.07779	5.0
282.13702	0.9
287.07733	1.5
305.08871	1.9
317.57986	0.9
360.68350	1.0
415.14569	84.5
416.14902	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	414.2414
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	0.9
61.98816	0.8
70.10089	0.8
70.10437	2.0
78.95906	100.0
101.91843	0.6
110.98534	65.0
154.02715	1.0
154.59705	0.6
214.69701	0.6
225.44667	0.6
240.50069	0.5
245.08124	0.6
285.06696	0.5
414.24118	48.6
415.24387	6.8
415.28757	0.7
415.53772	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1035
Annotation	Galangin 3-rhamnoside
Peak:m/z	Relative Intensity
55.01859	0.3
59.01383	3.4
60.66875	0.2
63.02400	0.9
65.00004	0.3
65.00326	0.7
68.06734	0.3
69.65087	1.0
69.65498	0.4
71.01381	2.6
73.02943	0.5
82.40348	0.3
83.01389	1.1
83.61308	0.3
85.02933	0.8
89.02445	1.9
94.15382	0.2
94.42426	0.2
98.20679	0.2
101.02465	1.7
102.98606	1.0
107.01395	2.2
113.02424	1.0
116.30719	0.3
117.03444	1.8
119.03500	0.9
120.99604	0.2
125.27129	0.2
125.81931	0.2
148.01666	0.5
149.02423	1.8
149.99622	0.4
151.00352	3.6
153.97581	0.3
159.02969	0.2
159.04509	0.4
161.04478	0.9
171.04521	0.8
172.05231	0.6
175.01399	0.2
179.55240	0.3
183.04507	0.4
184.05252	0.5
185.02377	0.3
196.05336	0.3
199.03989	0.3
200.04797	0.8
201.05495	0.4
211.03993	1.4
212.04691	0.9
224.04852	0.3
225.05579	0.4
227.03450	0.3
239.03441	2.9
240.04247	3.4
241.04755	0.4
267.02933	1.9
268.03745	100.0
269.04343	20.1
270.04816	1.2
285.15045	0.3
295.06299	0.2
309.97183	0.2
311.05588	0.5
403.58582	0.3
415.10309	84.1
416.10645	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	413.2908
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59693	1.7
57.88499	1.7
58.38749	1.7
58.63744	1.5
59.01378	100.0
70.76949	3.9
70.77305	3.1
91.51162	1.5
103.70018	1.6
105.41248	1.6
163.11192	1.5
203.49300	1.6
225.81006	1.7
248.76855	1.6
368.25790	1.5
393.91919	1.7
413.30594	10.1
414.30869	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	413.2908
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37679	3.0
59.01379	100.0
59.71363	2.6
60.30113	2.5
61.98820	4.5
65.55634	2.7
70.55510	6.0
70.55871	5.0
75.79799	2.7
75.84687	2.3
81.11427	2.3
89.07162	2.5
249.10487	2.8
254.72719	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	414.104
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	0.4
58.00594	0.7
59.01379	10.1
61.98834	6.8
64.54961	0.4
64.80012	0.3
69.73727	2.1
71.01380	12.3
72.99310	1.3
73.02960	0.7
75.00877	0.4
76.37016	0.3
83.01382	0.4
85.02969	1.1
87.00876	1.4
88.04057	1.5
89.02443	8.2
91.01885	0.9
93.02867	0.6
93.03461	10.7
95.01371	0.8
95.05005	0.4
97.02940	0.5
99.00914	0.7
101.02438	4.1
107.77042	0.4
113.02460	2.9
115.00377	8.5
115.04018	0.5
118.02994	9.4
119.03477	4.0
119.05007	0.8
121.02928	0.9
121.33277	0.4
125.02477	0.5
131.03465	0.7
132.03043	0.6
136.04045	100.0
137.02446	4.9
137.04388	4.3
143.03503	1.0
146.06143	2.1
149.06226	0.4
161.04619	0.7
163.04002	0.6
164.07198	6.5
165.04030	0.5
165.05548	0.4
174.24200	0.4
179.05624	1.3
189.05518	0.6
190.06323	1.4
194.79469	0.4
196.56218	0.4
205.06833	0.4
205.08661	2.3
208.06134	9.7
209.04655	0.5
209.06470	0.6
223.09660	0.4
234.04153	2.1
235.06172	0.5
235.09796	0.9
252.05106	12.5
252.09090	0.6
260.58093	0.4
263.36325	0.4
298.09344	0.5
396.09189	0.9
414.10370	24.1
415.11084	2.8
415.16071	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
56.98023	0.8
58.99607	1.0
59.01381	100.0
60.01715	1.1
65.04632	0.5
69.32845	4.7
71.01392	6.7
73.02956	2.7
74.99107	1.0
83.01369	1.0
85.02936	3.3
87.00901	1.1
89.02455	4.9
95.01397	0.6
99.00880	0.9
101.02451	4.7
102.98597	9.3
107.76209	0.5
113.02448	3.8
119.03532	1.9
121.02940	1.0
137.97441	0.4
161.04620	1.3
163.00705	0.5
179.00188	0.6
224.56667	0.6
237.95331	0.5
261.05960	1.1
283.13791	1.2
413.17487	1.0
413.22040	2.1
414.22400	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
56.98023	0.8
58.99607	1.0
59.01381	100.0
60.01715	1.1
65.04632	0.5
69.32845	4.7
71.01392	6.7
73.02956	2.7
74.99107	1.0
83.01369	1.0
85.02936	3.3
87.00901	1.1
89.02455	4.9
95.01397	0.6
99.00880	0.9
101.02451	4.7
102.98597	9.3
107.76209	0.5
113.02448	3.8
119.03532	1.9
121.02940	1.0
137.97441	0.4
161.04620	1.3
163.00705	0.5
179.00188	0.6
224.56667	0.6
237.95331	0.5
261.05960	1.1
283.13791	1.2
413.17487	1.0
413.22040	2.1
414.22400	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	0.3
57.03448	1.0
58.00603	0.3
59.01379	100.0
60.01710	1.1
68.80809	0.2
69.03468	0.4
69.42237	2.0
71.01379	6.4
72.99300	0.5
73.02943	2.2
83.01408	1.0
85.02955	3.0
87.00881	0.5
89.02442	2.2
95.01405	0.8
99.00904	0.8
99.04564	0.6
101.02442	5.1
102.98573	1.6
113.02465	2.4
119.03530	1.1
135.02991	0.5
137.09702	0.3
143.03545	0.3
147.71913	0.3
151.11327	0.7
159.02980	0.5
161.04543	2.9
168.24959	0.3
175.07629	0.3
209.15512	1.1
233.11917	0.4
233.15465	0.4
251.13020	1.0
251.16623	0.5
267.58426	0.3
295.09796	1.7
353.19910	1.3
354.20001	0.4
371.20612	3.3
372.21033	0.5
413.21921	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1639
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	0.6
58.99602	15.8
59.01102	0.6
59.01381	7.6
62.59212	0.3
67.58215	0.3
69.03455	0.8
69.18095	2.3
69.18513	1.2
70.70876	0.4
71.01383	5.3
71.05009	1.2
71.49935	0.3
72.99310	0.8
73.02952	1.0
74.41363	0.3
74.99089	1.8
83.01379	0.8
85.02953	1.7
87.00874	1.1
89.02444	3.9
95.01364	0.6
97.02965	0.6
99.00886	1.2
101.02431	2.1
102.98595	100.0
103.98984	1.7
113.02465	1.7
113.04332	0.4
114.04263	0.4
119.03500	1.0
119.05019	4.7
120.05340	0.6
120.99660	5.2
121.02931	0.8
123.02723	4.6
124.03074	0.3
124.07769	0.4
124.57094	0.3
125.02440	1.7
129.01897	0.4
131.03539	0.5
132.04543	0.5
143.03532	0.3
146.25368	0.3
147.08142	0.8
149.04585	0.6
153.01915	0.4
153.07442	0.4
160.42027	0.4
161.04544	1.0
163.00694	7.6
163.04001	0.4
164.01068	0.4
167.02716	0.3
175.11359	0.4
181.06882	1.1
188.14912	0.4
195.08478	0.5
207.71489	0.3
226.52019	0.4
233.06578	0.7
251.12811	0.6
253.12704	1.5
261.05801	0.8
272.42389	0.4
283.13626	2.0
293.08743	0.8
322.01694	0.4
371.15378	0.5
412.48785	0.5
413.16040	1.5
413.21799	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1666
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	8.8
57.03439	5.9
58.00601	3.9
59.01380	100.0
59.56256	3.0
61.98829	61.6
62.33324	2.4
71.01384	70.5
71.05032	3.2
72.99297	7.5
73.02959	28.8
78.95885	5.2
80.91668	4.0
83.01396	18.1
85.02955	37.8
87.00860	8.9
88.98815	4.5
89.02444	29.1
95.01385	8.5
96.01897	2.5
96.96017	24.1
96.96957	6.3
97.02927	5.3
98.02490	3.1
99.00869	11.7
100.33964	2.5
101.02444	94.9
102.02748	3.6
108.04494	3.1
113.02460	37.9
115.00391	3.5
117.05552	7.4
119.03493	7.9
119.05060	4.0
125.02445	8.9
126.01727	3.4
127.00352	4.6
127.59791	2.4
129.01959	3.9
136.04027	10.3
137.02489	2.9
143.03461	4.4
145.42978	2.5
147.04564	3.7
149.02429	2.9
153.01895	3.4
159.02997	5.8
161.04559	31.9
163.04028	5.6
164.04803	2.9
165.05534	7.7
175.02495	3.4
179.05595	4.9
195.06633	2.9
207.06734	4.4
207.08716	70.6
235.88451	2.9
251.05611	5.2
251.11359	58.0
252.11670	4.0
353.14484	66.6
353.18668	4.3
354.14780	10.2
413.11160	8.6
413.16656	46.7
414.16840	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	413.1241
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14195	0.4
59.01366	2.1
60.70406	0.3
61.98829	2.1
68.65558	0.3
71.01380	0.5
71.32537	0.6
72.99313	0.7
75.00870	3.8
75.94774	0.4
89.02425	0.5
93.03452	0.7
96.99315	8.6
103.05534	1.4
112.72571	0.3
114.50917	0.4
115.05544	5.6
117.03440	1.3
119.05027	0.4
121.02964	0.7
131.04991	1.1
135.02998	9.2
147.04509	11.6
148.04868	0.7
191.08691	0.4
205.10216	3.2
206.10664	0.5
207.11700	0.9
233.09711	21.6
234.09976	3.2
251.10837	0.8
277.08667	8.0
278.09109	0.9
290.89792	0.4
295.09738	100.0
296.10068	12.2
343.47906	0.4
413.12448	2.5
413.21948	0.5
415.84424	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1241
Annotation	Unknow
Peak:m/z	Relative Intensity
56.44416	0.3
59.01379	6.7
69.20876	3.4
71.01378	1.7
72.99312	4.0
75.00871	38.0
87.00873	0.5
89.02452	1.6
91.05540	0.4
101.02450	0.7
103.05545	1.0
115.05481	0.4
117.01932	4.6
135.02998	100.0
136.03314	3.1
147.04524	13.3
148.04913	0.8
161.04514	0.6
207.11798	0.8
223.85796	0.4
233.09781	0.5
245.90968	0.4
251.10806	1.8
267.80991	0.4
274.24539	0.4
295.09766	9.6
296.10083	1.2
349.62329	0.5
418.84879	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.124
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53569	0.3
59.01369	0.6
66.59962	0.4
69.25451	2.3
69.25872	1.3
71.01380	0.5
75.00860	0.9
96.99313	8.7
98.20645	0.9
101.03896	0.3
103.05531	1.3
115.05537	7.2
117.03455	1.6
119.04993	0.5
121.02959	0.8
129.07086	0.5
131.05000	0.8
135.02988	2.8
137.09190	0.4
147.04517	11.2
148.04842	0.8
191.08635	0.6
195.01704	0.4
198.50021	0.4
205.10291	3.3
207.11761	1.4
233.09695	22.4
234.10062	3.3
238.69905	0.4
251.10696	0.9
277.08688	7.8
278.09009	0.7
295.09738	100.0
296.10089	11.6
379.92615	0.4
413.12344	0.8
437.24490	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1242
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40292	0.6
52.91631	0.6
57.03449	0.8
58.99586	1.8
59.01381	44.1
60.38911	0.6
65.03949	0.7
69.35697	3.6
71.01385	4.8
72.99310	1.2
73.02941	1.2
75.00877	4.6
83.01403	0.9
83.05009	0.7
85.02949	1.9
87.00877	0.9
89.02451	2.9
93.03429	0.9
96.99298	3.8
101.02448	2.1
101.95509	0.6
102.97934	1.0
102.98601	11.4
103.05594	0.9
111.00921	0.7
113.02446	2.2
115.05529	4.2
117.01995	0.6
117.03499	0.9
119.03490	1.5
120.99607	0.5
121.14417	0.6
131.05014	1.3
135.01996	1.0
135.03001	15.7
137.09718	0.9
139.11293	1.3
143.03481	0.6
143.10751	1.3
147.04520	9.2
148.04863	1.2
161.04567	1.3
163.00713	1.5
164.05205	0.6
189.55641	0.6
191.08670	0.6
195.08147	0.6
203.08658	0.7
205.10225	5.1
206.10548	1.0
207.11804	4.6
209.15445	1.7
231.14027	1.0
232.14288	0.8
233.07404	1.3
233.09700	18.9
234.10048	2.1
249.15073	1.2
251.10770	11.5
251.13255	1.1
251.16441	1.1
252.10771	1.2
277.08694	8.2
295.09753	100.0
296.10095	12.3
371.20599	0.7
413.12726	1.6
413.21457	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	411.275
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
62.40109	4.7
71.81745	4.8
98.19851	9.8
104.56303	5.1
120.27083	5.3
163.34666	4.7
163.83313	4.7
222.22110	5.0
231.97653	5.3
305.08734	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
55.03974	2.8
59.01382	100.0
61.89817	3.1
61.98814	3.4
70.29916	4.1
70.30248	9.2
84.91251	3.2
98.20540	3.8
99.92560	3.9
143.22192	3.0
171.43420	3.3
208.34962	3.1
254.21126	2.9
326.18597	4.3
368.20462	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	412.1825
Annotation	Unknow
Peak:m/z	Relative Intensity
55.46384	0.9
58.02974	3.7
59.01373	5.8
61.32642	0.9
61.98831	100.0
69.03463	1.3
69.89339	5.9
71.01395	6.1
72.99310	1.5
74.26366	1.1
82.02953	1.0
85.02975	2.7
89.02442	3.2
97.42323	1.1
99.00912	2.2
101.02462	2.6
102.98562	1.6
112.62469	1.3
113.02454	2.8
114.48720	1.1
137.02428	2.8
161.06046	2.0
169.67679	1.0
206.08151	5.5
230.52629	1.0
248.09186	1.7
267.13483	1.0
298.37405	1.2
412.13165	2.7
412.18488	1.3
413.15158	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
58.18247	0.5
59.01380	2.3
61.98830	100.0
69.59240	2.6
69.59650	1.1
71.01382	1.6
73.02903	0.6
81.36554	0.6
82.02999	2.0
85.02972	0.7
89.02428	0.9
101.02446	1.5
109.26730	0.6
121.02933	1.1
126.02004	1.0
149.75050	0.6
149.76343	0.6
188.07149	0.8
207.02950	0.6
232.10011	0.7
267.09845	1.0
343.91888	0.7
412.13635	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
56.98035	0.9
59.01370	1.6
61.98829	100.0
69.77968	4.3
71.01382	0.9
82.02974	2.1
85.02976	1.0
87.14680	0.7
98.20617	1.4
101.02428	0.9
102.98607	0.8
109.44221	0.8
126.01960	1.4
209.75685	0.7
267.10013	1.3
375.01001	0.7
412.13770	2.4
431.46561	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1242
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13672	0.7
58.99599	1.8
59.01377	44.7
60.01673	0.7
61.98816	2.5
63.34644	0.7
65.03952	1.3
69.69432	3.9
70.75534	0.6
71.01384	6.7
72.99297	0.9
73.02943	2.6
75.00860	1.6
83.01362	1.1
85.02963	3.1
87.00894	0.9
89.02442	4.1
95.01374	0.9
98.19890	1.0
101.02422	4.4
102.98595	11.8
103.05527	1.6
113.02440	2.1
115.05556	0.7
117.01945	0.6
119.03469	1.1
119.52423	0.6
135.03006	4.5
137.02206	0.7
137.09660	0.7
147.04543	8.4
147.11829	1.4
154.02615	0.7
161.04550	1.0
163.00729	0.8
163.02336	0.6
167.06131	0.7
205.10240	2.5
207.11789	9.3
208.12102	1.0
209.07285	0.9
228.10635	0.8
233.11842	2.1
251.10756	15.8
251.16437	1.0
252.11090	1.8
283.13580	1.0
295.09735	100.0
296.10077	10.5
353.19632	0.9
354.11118	0.8
413.12524	2.3
413.21866	4.4
414.22055	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1242
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87907	0.5
59.01365	1.6
71.01370	1.0
75.00880	1.9
84.61552	0.6
89.02450	1.1
96.99310	7.1
97.53667	0.7
101.02387	0.9
103.05569	1.2
107.65317	0.6
115.05537	7.7
117.03435	1.9
121.02906	0.7
131.05011	1.4
135.03014	4.7
136.03236	0.6
147.04515	10.6
175.09070	0.5
191.08595	0.7
205.10287	5.3
207.11848	1.1
233.09706	33.1
234.10077	4.1
249.08911	0.6
277.08658	12.6
278.09042	1.6
295.09753	100.0
296.10107	13.1
316.70361	0.6
351.96136	0.7
413.21667	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13310	0.5
58.00597	0.8
59.01378	100.0
60.01725	1.2
61.98826	1.0
70.56705	1.7
71.01378	17.9
72.99340	1.4
73.02946	12.7
81.03469	0.5
83.01397	4.0
85.02958	3.8
87.00893	0.8
89.02450	9.0
95.01398	1.1
99.00912	0.6
101.02442	16.2
102.98609	2.9
107.05081	0.7
113.02439	8.7
119.03490	3.2
121.06620	0.9
131.03545	1.3
137.09734	4.8
143.03519	1.2
149.04614	0.9
151.11322	1.2
161.04556	3.3
179.05624	1.5
189.12909	1.6
195.10266	3.8
213.11497	1.3
249.15002	0.6
375.16547	0.9
411.20474	1.6
412.20541	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38502	0.8
55.01857	0.9
57.03432	1.5
58.00571	1.0
58.99606	6.9
59.01378	100.0
60.01709	1.2
61.98831	1.3
68.96581	0.8
69.03453	1.7
69.27342	7.8
71.01379	30.0
72.99280	1.2
73.02551	1.6
73.02943	21.2
74.99086	1.6
83.01382	6.8
85.02955	6.7
87.00871	1.6
89.02441	12.6
95.01339	1.9
99.00870	1.7
101.02444	24.4
102.02770	0.8
102.98598	37.1
103.07941	0.8
113.02454	10.8
119.03531	4.7
120.99670	1.4
131.03448	1.6
133.64832	0.9
137.09740	6.2
143.03485	1.4
149.04541	1.8
153.01904	1.6
161.04584	4.3
161.05702	0.9
163.00687	3.3
179.05688	2.1
185.13266	0.7
189.12813	0.9
205.12306	3.0
231.13843	3.3
249.14888	2.6
250.51967	0.8
281.12076	1.8
353.90936	1.1
411.15689	1.3
411.20279	13.5
412.20566	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2024
Annotation	(+)-Ixerin H
Peak:m/z	Relative Intensity
56.59753	1.4
57.03440	2.4
58.00587	4.2
58.99596	4.3
59.01381	100.0
60.01727	1.9
69.03448	1.5
70.70226	3.0
71.01383	73.4
72.99305	5.7
73.02959	7.8
83.01384	6.4
85.02955	19.0
87.00860	4.1
89.02447	69.4
90.02773	1.5
95.01392	4.2
99.00894	3.9
101.02445	39.3
102.02804	1.9
102.98603	26.2
113.01714	2.1
113.02458	30.4
119.03517	26.1
120.99657	2.1
131.03491	1.4
143.03494	4.5
149.04559	1.9
161.04553	10.6
163.00601	1.6
179.05620	4.6
205.12367	1.5
207.13828	2.4
219.12094	1.5
231.13908	3.1
249.11302	2.5
249.14990	10.3
281.12173	7.1
344.55124	1.4
367.21133	2.0
411.15707	1.1
411.20248	26.4
412.20374	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	411.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.6
57.03442	0.7
58.99612	0.8
59.01380	14.9
59.78597	0.4
61.98833	2.4
65.80182	0.4
69.03447	0.8
71.01382	9.0
71.55837	0.3
71.56239	0.4
72.99304	1.2
73.02945	3.2
73.73672	0.3
74.99106	0.3
83.01389	1.5
85.02939	3.8
87.00859	0.8
89.02447	3.0
95.01385	0.4
97.02953	0.4
99.00890	0.9
101.02444	5.4
102.98602	7.4
113.02448	2.7
119.03490	1.1
119.04980	0.3
120.99644	0.7
151.29311	0.4
161.04539	0.6
161.13312	0.4
163.00761	0.3
167.03453	0.6
174.74104	0.3
183.01967	0.3
187.11270	0.7
205.12321	0.9
225.64687	0.3
231.10225	2.5
231.13893	1.6
232.10516	0.4
237.13309	0.4
249.11206	1.4
249.14946	35.6
250.15318	3.7
281.12146	1.5
281.15735	0.5
291.16171	0.6
308.18738	0.4
364.82318	0.4
396.18317	0.4
411.20230	100.0
412.20596	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	411.1061
Annotation	Ziprasidone
Peak:m/z	Relative Intensity
51.52398	10.5
59.01376	30.6
61.02733	11.2
63.87146	10.4
70.20490	46.0
71.01389	35.0
80.96526	15.4
87.00889	36.3
87.89409	12.7
89.02460	26.7
96.96013	37.5
96.96976	19.8
99.00863	26.5
109.76724	11.4
115.00347	14.0
149.02495	16.2
150.03239	28.5
165.05566	43.1
175.02420	18.1
188.16472	12.3
195.06631	22.5
202.28436	13.5
204.15297	11.0
211.06155	19.4
263.05792	18.4
323.01840	15.3
327.10834	17.4
411.09995	100.0
412.10480	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	411.1062
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	88.0
61.98826	60.5
62.04865	10.9
63.69118	10.8
70.80854	23.8
71.01383	62.2
71.43965	11.5
72.99302	29.6
75.00877	12.1
78.95896	17.3
80.91700	14.2
80.96509	54.2
82.27920	11.9
83.01368	20.6
85.02944	21.3
87.00885	85.3
89.02474	100.0
94.98103	14.5
96.95990	24.5
96.96960	33.7
99.00889	14.7
101.02437	45.0
111.00848	18.4
113.02453	38.0
119.03511	34.8
125.80031	12.7
127.00331	34.5
129.01927	17.9
145.02910	14.2
148.01598	17.6
150.03255	22.3
157.01382	21.8
161.02367	15.6
161.04514	32.7
162.03168	34.8
163.04022	23.2
165.05554	44.4
175.02484	49.5
175.18744	14.2
179.05626	59.7
181.05025	32.6
195.06618	25.1
211.06104	53.7
225.07538	14.1
287.04086	15.4
312.46078	12.9
323.01669	16.5
325.01340	25.3
327.10840	16.0
341.02606	13.9
351.01694	14.3
357.11838	23.6
375.12689	15.4
411.05899	51.4
411.10461	21.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1481
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85392	0.8
54.26995	0.8
57.03440	2.5
57.76719	0.8
58.99603	18.6
59.01382	11.0
61.98831	1.6
64.76534	1.0
69.55920	6.5
71.01381	3.0
71.05025	1.1
72.25689	0.9
72.26088	0.9
73.02938	1.3
74.99088	2.5
77.83693	0.8
80.27759	0.8
85.02939	2.1
87.00853	1.3
89.02434	1.4
95.25385	1.0
98.19885	1.1
101.02423	3.0
102.98595	100.0
103.98926	1.3
113.02393	1.5
120.99620	4.8
125.02530	0.8
133.06641	1.4
163.00691	6.4
165.12903	1.0
177.27907	1.0
196.63269	0.8
203.14369	3.0
205.02908	1.0
247.13388	8.7
248.13921	1.6
249.14815	2.3
263.10983	1.6
281.12234	1.3
331.19556	1.0
369.13638	1.5
411.14880	3.2
411.20267	7.8
412.20428	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1483
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99607	19.1
59.01382	12.0
61.98841	1.9
71.01389	2.8
71.55329	1.6
74.99097	3.7
85.02963	2.0
87.00828	1.1
89.02464	2.0
99.00896	0.9
101.02442	3.7
102.98603	100.0
104.42705	0.8
113.02454	2.2
115.00304	1.0
120.99654	3.6
145.43073	0.9
161.04530	1.2
162.02257	1.2
163.00697	5.4
203.14441	2.5
204.14771	1.2
213.27467	0.8
247.13548	5.0
249.14844	1.3
263.11020	1.2
281.12195	1.8
411.14954	3.0
411.20242	8.0
412.20029	1.0
438.45105	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2023
Annotation	3beta-Acetoxy-14-n-butyryloxy-10-deoxyfloridanolide
Peak:m/z	Relative Intensity
57.91142	0.5
59.01381	100.0
60.01722	1.1
61.98830	1.7
62.45012	0.5
71.01376	6.6
71.55304	0.7
73.02962	1.4
76.82456	0.5
83.01376	1.0
85.02932	0.9
88.11933	0.5
89.02467	3.7
101.02467	2.3
109.56439	0.7
113.02474	2.0
119.03490	1.3
134.63797	0.5
198.81956	0.5
199.71915	0.7
231.14005	1.4
284.12878	0.6
292.77051	0.6
362.59027	0.6
411.20041	7.1
412.20706	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	2.4
58.00597	2.0
59.01382	100.0
60.01709	1.6
61.98825	12.6
69.03433	2.0
69.20777	5.9
69.21190	10.5
71.01385	29.1
72.99323	6.8
73.02944	4.8
75.00874	2.7
83.01375	2.0
85.02950	7.6
86.74982	2.0
87.00871	3.4
89.02447	27.5
95.01392	2.2
101.02451	15.6
107.05016	1.7
111.04508	1.7
113.02451	12.1
119.03529	12.4
121.02999	1.9
124.04122	1.7
128.90506	2.1
135.04552	2.1
135.98389	4.6
136.99091	2.5
143.03513	3.4
149.02405	1.9
150.03229	3.2
151.03972	2.8
161.04541	7.4
161.08218	5.8
165.01932	8.8
165.05579	4.0
168.03729	1.7
179.03522	3.1
179.05617	9.9
180.04271	3.5
183.06561	1.8
187.13513	2.2
195.06604	6.1
195.89740	1.7
225.07680	4.0
229.14456	4.7
246.45140	1.9
294.88681	2.0
317.50519	1.9
349.18683	21.2
361.12894	3.5
373.72290	2.1
395.77859	1.6
409.12262	4.1
409.21072	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	409.2362
Annotation	1-palmitoyl-sn-glycerol 3-phosphate
Peak:m/z	Relative Intensity
54.93541	0.3
59.01384	0.5
60.19513	0.3
61.98828	1.2
62.96388	0.3
70.55367	0.7
70.55766	0.6
78.95905	70.7
96.96960	5.4
150.98071	1.9
152.99585	100.0
153.99922	2.4
171.00659	2.1
183.01173	0.7
205.66919	0.4
255.23227	2.1
325.18460	3.0
409.23566	12.4
410.23907	1.6
421.03079	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	3.6
61.98830	100.0
62.98532	0.5
71.01386	5.0
71.52724	0.7
72.99310	0.8
73.02958	1.5
75.00924	0.6
85.02963	2.2
87.00903	2.1
89.02453	2.7
96.96031	1.2
99.00883	0.8
101.02417	2.5
113.02487	1.4
119.03519	0.6
120.99683	0.5
127.00439	0.7
129.01952	0.8
150.03197	1.5
151.03542	0.7
161.04593	1.4
165.05605	2.1
166.05885	1.5
167.03477	0.7
175.02487	1.2
195.06671	0.7
207.57573	0.5
224.45480	0.5
293.12439	1.6
366.15082	0.7
402.03152	0.6
409.44388	0.5
410.08527	0.5
410.13760	2.8
411.14560	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	410.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39385	0.5
59.01376	4.4
61.98831	100.0
70.82058	0.6
70.82415	1.2
71.01389	3.5
72.99300	1.0
73.02932	1.1
79.78069	0.4
80.00551	0.4
83.01376	0.5
85.02969	1.8
87.00884	2.3
89.02428	2.6
89.37281	0.5
90.98639	0.5
97.27473	0.5
99.00899	0.8
101.02448	2.3
102.02797	0.5
113.02456	1.8
114.02847	0.5
115.00385	0.9
115.02946	0.4
118.76392	0.5
127.00413	1.5
129.01949	0.6
135.02960	0.7
149.02399	0.5
150.03197	0.8
151.03709	0.4
156.07826	0.5
157.01408	0.6
161.04593	0.9
165.05563	1.3
166.05896	1.2
167.03397	0.5
175.02510	1.3
181.05042	0.5
184.16226	0.5
195.06750	0.8
201.15193	0.4
293.12659	1.2
319.79755	0.5
323.01682	1.0
366.15054	0.7
410.08139	0.4
410.13834	0.9
411.14798	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	19.9
60.01715	1.2
61.98832	100.0
67.08378	0.8
69.03462	2.5
69.40841	0.8
71.01374	10.5
71.55271	1.0
72.99322	2.7
73.02944	3.2
74.79977	0.9
83.01406	1.2
85.02949	6.3
87.00885	2.2
89.02460	4.0
99.00890	2.0
101.02434	7.3
113.02466	4.4
119.03516	1.5
125.02467	1.4
135.40742	0.8
137.02499	2.3
161.04573	3.5
162.05617	1.3
165.01953	1.0
167.03494	1.5
185.00803	1.3
205.05045	1.9
249.03911	1.9
249.13402	1.4
258.14648	0.9
258.73273	0.8
260.88058	1.0
284.56570	1.1
323.54837	1.0
347.62173	0.9
349.12772	1.1
350.19174	1.4
351.19873	1.4
410.21176	6.8
411.13177	1.6
411.18854	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	409.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04782	0.4
59.01379	100.0
60.01721	1.1
61.98824	1.6
69.03442	0.8
71.01387	2.4
71.55449	0.6
72.99319	1.1
73.02953	1.7
83.01392	0.5
84.37911	0.4
85.02946	0.8
87.00903	1.0
89.02457	1.3
93.79633	0.5
101.02464	1.4
102.98621	0.9
104.73032	0.5
108.24354	0.4
113.02497	1.0
115.39866	0.4
121.03004	1.0
121.03846	0.5
161.04483	0.7
204.90755	0.6
210.66899	0.5
282.33115	0.5
349.19019	0.6
391.17468	0.5
409.19574	0.9
409.27246	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	409.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01913	0.7
58.33368	0.4
59.01379	100.0
60.01711	1.7
60.66458	0.4
60.97179	0.4
61.53819	0.4
61.98835	4.3
69.03452	0.5
70.03497	0.4
71.01378	3.9
71.55601	0.8
72.99316	1.8
73.02960	1.4
76.78143	0.4
80.30853	0.4
83.01369	0.8
83.07439	0.4
83.27720	0.4
85.02967	1.6
87.00891	1.1
89.02463	1.2
97.02953	0.7
99.17616	0.4
100.96494	0.4
101.02431	2.8
101.57314	0.4
102.98602	0.5
111.00861	1.0
113.02461	1.9
117.01959	1.0
119.03475	0.8
121.02953	4.6
135.04523	0.5
157.01524	0.5
161.04608	1.3
166.85776	0.4
185.09821	0.5
203.44511	0.6
205.12421	0.9
307.17578	2.4
329.73685	0.4
349.18851	1.1
409.20868	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	8.4
57.03459	4.5
58.00593	3.7
59.01381	95.2
60.01713	1.6
61.98834	4.1
68.99806	1.1
69.03461	1.4
69.89018	4.6
71.01384	100.0
72.01711	2.1
72.99305	5.0
73.02949	23.4
74.99084	1.1
75.00854	3.1
81.03482	1.4
83.01386	10.9
85.02950	34.5
86.03239	0.9
87.00887	7.7
89.02447	81.1
90.02779	2.2
95.01383	7.1
95.56038	0.9
97.02952	2.5
99.00879	9.6
101.02447	81.6
102.02795	1.8
113.02454	43.2
115.04011	1.0
119.03505	32.0
125.02426	4.2
131.03517	6.8
135.04602	4.4
135.98392	1.3
143.03516	9.0
149.04556	2.6
158.32173	1.0
159.02986	5.2
161.04564	31.0
162.04868	1.4
165.01915	1.2
165.05539	1.7
179.05611	45.6
180.05914	1.4
187.06149	1.1
195.06609	2.7
216.77866	0.9
221.06677	14.0
224.95761	1.0
247.11888	2.6
264.81760	0.9
381.13089	1.1
409.17111	16.4
410.17654	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1993
Annotation	Unknow
Peak:m/z	Relative Intensity
56.35502	6.0
59.01384	53.0
61.98824	13.6
69.50683	15.4
69.51081	37.1
71.01382	36.9
72.99317	17.4
85.02944	11.2
85.09714	6.6
87.00874	34.0
89.02454	10.8
101.02445	6.7
111.00861	20.2
113.02423	10.2
115.00368	7.6
117.97316	11.0
121.02950	100.0
157.01364	9.2
161.04597	11.2
205.12340	10.0
217.08693	8.5
227.02547	6.4
247.09778	13.8
318.70685	6.6
349.18591	10.6
377.12515	11.0
409.14938	16.6
409.19791	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	408.179
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06486	7.8
59.01383	37.6
61.98833	100.0
68.91482	7.9
71.01402	9.9
71.55452	13.8
78.73238	10.1
87.08202	9.6
96.95997	9.3
162.26395	8.7
408.13672	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	409.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65746	1.1
54.20906	1.0
55.01876	1.7
57.03428	1.1
58.00587	1.4
59.01380	45.2
61.98833	12.1
62.64556	1.2
63.58968	0.9
63.68830	0.9
68.99824	2.7
71.01382	32.5
71.54953	1.6
72.08364	1.0
72.08775	0.9
72.99314	5.6
73.02943	10.4
75.00878	4.5
77.27180	1.0
81.03488	1.4
83.01391	3.6
85.02919	6.1
87.00881	18.8
89.02447	39.2
92.64659	1.1
93.03474	2.6
95.01402	1.8
97.02985	1.9
99.00874	13.7
99.04529	1.1
101.02449	20.7
101.58511	1.3
103.04040	1.9
111.00909	2.4
113.02474	6.2
114.79346	1.1
115.00373	2.4
119.03511	3.9
119.04984	1.4
121.02947	7.6
122.03740	11.1
123.04526	2.5
125.02454	3.3
127.00375	13.2
129.01917	6.0
131.03511	5.1
133.02962	1.5
135.04536	7.8
136.01671	2.1
137.02428	2.5
139.00348	1.0
139.03995	1.2
143.03505	1.1
149.02438	43.5
149.04498	17.9
150.03230	70.2
151.03923	6.1
157.01405	6.3
159.03018	1.3
161.04593	4.5
164.04811	11.3
165.05562	100.0
166.05911	4.7
169.01477	2.0
175.02480	10.2
179.05707	1.6
180.04279	4.3
181.01288	1.1
185.06120	1.0
187.09702	1.9
187.70819	1.4
191.05658	5.2
195.06630	20.9
196.06975	2.0
199.02478	2.3
213.07715	1.6
225.05554	1.6
229.03528	1.5
277.12833	1.9
285.07639	6.1
286.08417	7.8
287.04111	4.3
301.10748	13.9
302.11212	1.4
319.06805	3.1
323.01688	7.7
349.14929	2.8
355.04297	5.8
361.12888	41.2
362.13199	4.9
409.08011	3.1
409.16815	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	409.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00474	0.8
51.45603	0.8
55.01873	5.6
57.03440	3.7
57.45368	0.9
58.00589	4.1
59.01381	96.7
60.01688	1.4
61.92550	0.9
61.98824	2.1
66.65280	1.1
69.03474	1.8
71.01382	100.0
72.01721	1.4
72.99326	4.5
73.02946	25.2
75.00861	2.1
83.01395	9.6
85.02951	31.1
87.00889	8.3
89.02444	85.8
90.02773	1.8
95.01384	6.8
97.02938	2.4
98.20676	1.7
99.00885	7.3
99.42232	0.8
101.02441	81.4
102.02781	2.0
113.02449	39.0
114.02767	1.6
119.02654	1.9
119.03506	35.6
120.03845	1.4
125.02438	5.3
129.01952	1.1
131.03499	10.1
135.04556	1.1
143.03499	11.0
149.04570	2.6
159.02997	5.7
161.04561	29.9
165.05565	1.4
179.05611	51.7
180.05905	1.9
221.06664	18.6
222.06979	1.3
247.11877	4.9
278.39914	0.9
316.49454	1.1
390.29510	1.0
409.17139	21.2
410.17334	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	407.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	3.4
57.03433	2.7
59.01381	74.9
60.01722	1.0
63.37696	0.9
65.58468	0.8
71.00356	1.5
71.00739	0.8
71.01003	1.3
71.01379	20.6
72.99295	1.6
73.02944	17.7
80.97093	0.7
83.01382	8.6
85.02949	14.3
86.00095	1.3
87.00877	1.9
87.04507	1.1
89.02425	2.5
89.23705	0.7
95.01396	2.2
96.96004	6.4
96.97343	0.8
97.02941	0.8
99.00875	3.6
101.01790	1.6
101.02438	27.4
111.00871	1.2
113.02448	8.7
114.02827	0.8
119.03477	0.9
127.11245	1.0
129.09213	1.1
148.65382	0.9
157.12346	2.6
161.04436	1.5
185.11810	1.2
201.15125	1.1
203.12904	6.6
209.08174	3.2
274.90866	0.8
319.17636	1.5
334.36670	0.9
347.17102	44.0
348.17477	3.9
365.18137	100.0
366.18509	10.4
369.25287	0.8
407.07410	1.9
407.19211	92.8
407.26373	9.8
408.19559	13.4
408.25546	1.1
408.26819	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	2.8
59.01382	7.2
61.98818	0.5
69.53890	0.8
69.54298	2.3
71.01384	2.1
71.05009	0.7
72.99290	1.2
73.02939	2.7
75.00817	0.6
83.05043	0.5
85.02955	1.2
85.06567	1.2
87.00898	0.8
87.04509	9.7
87.05001	0.8
89.02450	1.3
97.06570	0.8
101.02471	0.9
101.06087	1.9
101.22882	0.4
111.08150	1.1
114.08488	0.5
115.07640	1.9
117.05608	0.6
123.08171	2.0
123.74312	0.4
125.09714	0.6
127.11261	1.5
129.09140	0.8
137.09717	2.6
141.09238	1.2
143.10823	0.6
149.02434	0.4
149.09734	3.4
150.03339	0.7
151.11337	0.5
155.10773	2.7
159.10239	1.1
161.04659	0.6
165.05550	0.9
167.10762	3.6
171.10225	0.6
173.11781	1.0
178.88110	0.5
184.11072	0.6
195.13911	1.4
213.14949	1.0
235.16925	0.5
261.05841	0.9
271.19095	0.6
289.16672	0.6
295.57712	0.5
315.21548	0.8
329.23242	0.8
361.25986	1.3
371.98953	0.6
389.25494	0.9
407.26495	100.0
408.26846	13.8
408.32114	0.9
424.21729	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1093
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	1.4
59.01102	2.5
59.01378	30.4
65.99847	2.4
70.08311	4.7
70.08656	1.7
71.01380	14.6
72.99307	1.8
73.02949	8.4
74.99108	1.7
82.02979	10.6
83.01379	5.1
85.02947	4.8
87.00887	2.4
88.39475	1.1
89.02437	6.9
92.70354	1.2
93.03458	1.5
96.96034	2.3
98.19969	1.7
99.00888	2.4
101.02439	17.2
101.06087	2.3
113.02449	5.2
119.03537	3.5
136.04100	1.6
145.05360	1.3
149.96849	1.4
153.56171	1.3
154.99284	1.2
160.07651	3.6
161.04643	3.2
162.05624	1.6
164.03517	6.1
174.05553	2.6
174.09268	1.5
186.05583	1.6
188.07185	4.7
189.02954	1.7
191.04546	1.6
194.04556	1.6
202.08699	3.9
207.96777	1.3
215.04643	4.4
216.05405	6.7
216.10229	3.1
217.02440	6.1
217.06099	8.0
218.06863	2.9
228.06851	2.0
229.06061	10.7
230.03259	3.5
230.06874	4.4
231.07701	13.8
232.08430	5.9
241.06192	3.2
242.03380	1.5
243.04092	20.2
243.07759	4.5
244.04822	15.4
244.09804	9.5
245.09238	6.2
245.17537	4.9
246.06401	1.6
248.09242	3.0
249.05101	3.1
256.05032	6.4
257.05637	18.8
257.09427	2.0
258.06448	7.1
259.07205	47.6
259.10812	7.0
260.07410	2.1
269.09262	4.4
270.07288	2.3
271.07233	26.2
272.07822	3.0
285.05374	1.7
285.08789	5.0
287.10358	77.6
288.08575	5.6
288.10837	6.1
291.09937	9.3
298.94119	1.3
303.09921	2.0
313.08270	100.0
314.08661	11.3
331.09323	59.5
332.09644	5.1
335.08649	2.4
345.10760	8.6
347.17065	2.4
357.07355	2.3
365.18237	2.7
375.08383	20.8
376.08459	2.4
389.10025	3.6
407.10947	53.7
407.18427	10.8
407.23022	4.1
408.11194	6.2
408.19128	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	407.1099
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	3.0
57.03439	7.1
59.01380	85.4
61.98842	7.3
63.96239	2.1
69.03463	3.2
71.01385	32.8
71.05024	3.3
71.54782	1.6
71.55202	2.6
72.99306	6.0
73.02947	33.8
74.99102	3.8
75.00861	3.2
82.02988	13.5
83.01388	9.4
83.05016	1.8
85.02946	17.9
85.06574	2.8
87.00876	6.6
87.04539	11.3
89.02444	15.6
93.03461	2.3
95.01404	1.8
96.95969	2.3
97.02933	4.4
97.06609	3.3
99.00867	5.7
99.04507	3.9
99.72855	1.6
101.02449	29.6
101.06060	3.4
102.98566	3.2
106.02921	1.9
109.06570	1.9
111.00867	2.2
111.08080	2.9
113.02443	12.1
119.03500	3.8
120.99660	2.7
123.08186	1.8
129.09235	8.2
135.03006	3.7
135.98349	5.0
136.99165	1.6
137.02489	2.0
138.05614	17.1
141.01958	2.5
143.03447	2.4
143.07217	1.9
147.04521	1.5
153.09190	2.1
159.03008	2.2
159.10347	2.1
160.07643	4.3
161.04602	13.6
164.03543	8.5
164.04666	1.5
167.10660	1.9
172.07573	1.8
173.11803	2.1
174.05568	3.6
179.05582	2.9
186.05460	2.0
188.07132	5.8
189.03053	2.2
191.04570	1.9
198.77312	1.6
200.71790	1.6
202.08614	3.1
203.12721	1.5
215.04601	5.0
215.08127	1.4
216.05280	5.7
216.06892	4.4
216.10266	2.1
217.02477	6.3
217.06064	7.8
217.14449	2.0
218.06679	3.1
227.16487	1.5
228.06714	3.3
229.06044	9.0
229.14333	1.8
230.03325	3.0
230.06917	5.5
231.07724	13.2
232.08385	4.7
234.77570	1.6
241.06134	3.9
242.03378	2.7
243.04070	20.3
243.07771	2.7
244.04871	13.1
244.09796	11.8
245.09294	6.2
248.09367	3.0
254.07158	1.7
256.04868	7.9
257.05679	18.8
258.06268	6.4
259.07199	43.8
259.10696	6.9
260.07397	2.2
261.13455	27.8
269.09235	2.0
270.07614	1.6
271.07242	22.5
272.07703	4.4
285.08780	5.0
287.10376	76.5
288.08633	7.5
288.10983	6.2
289.16519	9.3
291.09879	12.2
303.09894	1.9
305.11465	8.5
313.08289	100.0
314.08508	10.0
319.12195	1.6
331.09305	57.0
332.09583	6.4
333.22852	2.0
335.08661	3.1
345.10834	8.5
347.17068	9.7
357.07199	3.0
365.18243	7.9
375.08237	20.9
389.09875	3.1
389.25543	4.1
407.10864	58.2
407.18872	24.9
407.26440	99.3
408.11362	7.8
408.19177	3.2
408.26935	10.0
430.83188	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	0.6
59.01376	3.3
61.98823	2.0
64.93895	0.4
69.52398	1.0
69.52802	2.1
70.92301	0.5
71.01379	1.8
71.05009	1.5
72.41512	0.4
73.02943	4.4
75.00871	0.8
85.02944	0.6
85.06567	0.5
85.60448	0.4
89.02454	1.0
95.05008	1.1
97.06606	2.8
97.07105	0.4
99.00857	0.5
101.02422	0.9
109.06596	0.9
111.08163	3.9
113.09708	1.1
115.07683	0.5
117.01939	0.6
125.09750	0.9
127.11238	0.6
135.02977	2.5
137.09656	0.6
164.61946	0.4
183.17569	0.7
192.84528	0.4
205.16138	0.5
207.17531	8.8
209.15451	1.6
217.65646	0.4
225.18646	1.2
233.82434	0.4
243.06749	0.5
243.19633	1.4
251.16515	41.6
252.16840	3.7
269.17563	27.2
270.17950	2.6
274.27856	0.5
287.18625	100.0
288.18942	9.5
405.21262	30.1
406.21603	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	405.2644
Annotation	3alpha,7alpha-Dihydroxy-12-oxo-5beta-cholanate
Peak:m/z	Relative Intensity
59.01376	7.2
61.98836	6.0
69.03455	1.3
70.40427	3.9
71.01385	1.9
71.54015	0.9
83.05008	1.5
85.37765	1.1
98.19960	1.1
101.02411	1.4
111.08134	1.8
114.41344	1.1
141.59586	0.9
159.11800	1.1
211.13179	1.1
213.08255	0.9
213.15063	1.9
237.14975	1.5
239.16512	1.7
241.18132	1.8
247.13368	1.2
260.99677	0.9
265.17911	1.1
267.19641	1.1
304.31635	1.1
315.26877	1.8
325.25397	5.0
326.25778	1.0
333.28006	1.3
343.26596	4.7
359.25677	2.8
361.27512	3.8
369.24298	6.5
377.27222	1.1
387.25314	12.3
388.25546	1.4
405.26440	100.0
406.26767	16.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	9.9
57.03440	5.6
58.00589	3.2
59.01379	74.4
68.86221	0.9
69.27142	10.3
71.01382	62.4
71.23862	1.0
72.99297	3.7
73.02942	23.4
83.01395	16.3
85.02950	32.5
87.00877	2.7
89.02439	18.0
95.01378	3.9
97.02887	1.2
99.00888	8.4
101.02442	100.0
101.06087	14.6
102.02783	3.0
102.98547	1.5
113.02449	22.6
119.03485	7.0
120.99666	1.3
130.16548	1.1
139.07745	1.4
140.74191	1.2
143.03502	4.3
144.64865	1.0
159.03041	2.5
161.04546	20.4
165.07750	1.1
165.12820	3.4
179.05577	1.5
181.05058	1.2
199.13310	4.0
205.12421	1.0
220.96060	1.1
225.14775	1.4
243.15999	51.6
244.16319	4.0
287.15100	5.4
303.18259	1.4
327.08286	1.7
357.13580	3.7
405.21280	69.4
406.21619	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	405.2129
Annotation	Breyniaionoside C
Peak:m/z	Relative Intensity
55.01878	7.6
57.03439	5.2
58.00587	3.7
59.01379	100.0
60.01711	1.8
71.01382	66.0
72.01723	1.3
72.99315	2.8
73.02943	21.9
74.99123	1.0
75.00874	1.3
83.01393	13.6
83.05056	0.8
84.02228	0.8
85.02950	28.3
87.00882	2.9
89.02445	24.6
95.01408	3.9
97.02985	1.8
97.06623	1.1
98.19849	1.7
99.00884	6.7
101.02441	79.7
101.06093	7.9
102.02763	1.7
102.98588	1.4
107.66067	0.7
113.02450	27.1
119.03513	9.8
123.08218	0.8
125.02447	1.6
128.03535	1.4
129.09244	0.7
131.03506	1.0
135.02986	1.9
139.07703	1.3
143.03503	4.7
143.04608	1.8
149.09718	1.7
151.03992	1.3
153.01933	9.0
153.09229	3.3
159.02960	4.6
161.04550	29.1
162.04912	0.9
163.11430	1.2
165.12857	1.2
167.10771	3.9
168.04266	10.3
179.05647	2.4
181.12302	3.8
183.06616	9.5
199.13399	2.6
207.13914	1.7
223.13467	0.8
241.14543	1.5
243.15990	52.3
244.16327	6.3
254.07692	0.7
287.14920	4.2
303.17957	0.9
306.07474	0.9
307.08054	1.2
389.80035	0.7
405.21320	48.2
406.21674	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	405.2129
Annotation	Breyniaionoside C
Peak:m/z	Relative Intensity
55.01879	8.7
57.03445	7.3
58.00596	3.0
58.99617	1.0
59.01379	65.8
60.01711	1.0
61.98834	2.2
69.03461	2.1
71.01383	100.0
71.39556	0.9
72.01717	2.8
72.99317	3.3
73.02947	33.9
74.99107	1.1
75.00882	1.6
81.03472	0.9
83.01386	17.1
83.05032	1.1
85.02953	44.7
86.03307	1.3
86.97153	0.9
87.00888	5.1
87.04524	1.3
89.02446	21.0
89.93011	0.8
95.01382	7.7
97.02956	2.2
98.20641	2.1
99.00875	14.6
99.04565	1.2
100.43480	0.8
101.02443	95.7
101.06068	13.6
101.62891	1.0
102.02828	1.8
102.06438	0.9
102.98600	2.6
104.98175	1.6
111.00829	1.0
113.02448	42.6
119.03511	5.3
120.99642	5.7
125.02430	2.2
128.03583	1.6
129.01973	1.4
135.03259	4.5
139.07642	1.5
143.03551	5.5
143.04570	1.4
159.02995	10.7
161.04552	53.8
162.04869	3.0
165.12892	2.0
169.42101	0.9
176.54544	0.8
179.05641	2.2
179.10709	1.1
190.01514	1.0
197.11813	1.5
199.13383	3.6
206.81773	0.9
207.01683	1.8
207.13844	1.5
225.14967	1.2
243.12292	1.3
243.15999	30.7
244.16359	3.7
287.15005	5.0
371.88458	1.1
373.10486	2.0
375.63916	1.0
387.20175	1.3
405.13077	7.0
405.21262	29.6
406.21600	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	405.2129
Annotation	Breyniaionoside C
Peak:m/z	Relative Intensity
53.69719	0.5
55.01881	2.3
56.73158	0.5
57.03448	2.5
58.00597	5.1
59.01380	100.0
60.01707	1.5
60.99299	0.6
61.98831	7.6
69.03461	1.8
69.91479	2.2
71.01382	60.2
72.01729	1.6
72.99309	5.4
73.02944	4.9
74.99072	0.7
75.00900	0.8
83.01387	3.5
85.02953	13.4
87.00877	5.6
87.04489	0.8
88.98797	1.8
89.02446	74.3
90.02767	1.4
95.01398	5.1
97.02922	0.9
98.19970	0.9
99.00874	2.0
99.04528	0.7
101.02441	36.4
102.02776	0.9
102.98595	1.1
113.02450	27.4
114.02778	0.9
119.03503	32.0
120.03825	0.7
120.99625	3.2
121.05338	1.9
122.06128	6.1
125.02459	1.6
125.06059	0.8
131.03516	3.1
135.02982	3.2
136.99086	0.9
137.09671	0.6
139.00365	0.6
139.07658	0.5
143.03471	4.2
145.02922	1.0
149.02429	0.5
149.04515	2.2
151.04028	1.2
153.01947	4.0
153.04315	1.2
155.10773	0.6
159.02963	1.0
161.04553	6.9
163.11305	1.0
165.09192	0.6
168.04192	2.2
176.59018	0.5
177.12747	0.5
179.03340	0.6
179.05606	5.4
197.01001	0.5
207.13976	0.5
225.14870	1.0
243.16042	5.5
245.12927	3.4
259.07980	0.8
277.76791	0.6
288.97342	0.6
289.11844	4.1
333.10678	0.7
371.19247	0.7
405.13141	1.0
405.18164	0.9
405.21817	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	405.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33097	0.9
58.00594	1.5
59.01379	39.0
69.34660	6.9
71.01382	20.1
72.99303	1.5
73.02954	4.6
73.03293	0.9
85.02956	4.8
89.02443	20.0
90.02743	0.8
95.01376	1.9
95.05045	1.0
98.20647	1.7
99.04557	1.0
101.02448	8.3
113.02442	5.8
119.03510	7.5
143.03508	1.2
163.11267	3.4
179.05533	1.0
181.12344	24.4
182.12677	2.3
207.10202	1.0
225.11308	100.0
226.11658	8.4
243.12369	1.5
259.34860	0.8
284.03043	0.9
363.23880	1.3
405.17603	37.8
405.24759	2.8
406.17920	6.7
418.41110	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2129
Annotation	Breyniaionoside B
Peak:m/z	Relative Intensity
55.01872	2.3
57.03440	4.6
58.00598	3.1
58.99606	1.9
59.01381	97.8
61.98830	5.6
62.65697	1.4
66.52654	1.2
69.03449	2.7
71.01382	42.7
71.05016	2.0
71.55260	2.2
72.99322	5.9
73.02945	18.3
74.99108	4.0
83.01391	4.7
85.02947	13.6
87.00888	7.3
87.04525	3.0
88.98798	1.4
89.02448	43.2
95.01408	4.0
97.06578	2.3
99.00894	1.8
99.04537	1.3
101.02448	25.2
102.98595	7.9
111.00884	1.7
111.08167	1.6
113.02446	17.8
115.07691	1.3
118.65045	1.2
119.03509	15.7
119.04978	1.8
120.99666	3.0
121.02976	2.6
122.03696	1.5
122.06008	1.5
122.16798	1.4
122.45045	1.3
123.08159	2.0
125.09731	3.9
129.01851	1.3
131.03564	2.1
135.03036	1.8
135.04453	2.2
136.99118	4.0
137.09741	3.2
139.07780	1.3
139.11288	2.3
143.03490	2.3
143.10754	2.3
148.96402	1.2
149.02408	7.5
149.04494	1.5
150.03209	15.9
153.09216	1.8
155.10783	2.3
157.06891	2.7
158.11542	1.2
161.04567	5.8
164.04721	1.8
165.05565	17.0
177.12830	3.6
177.93448	1.4
179.03560	2.9
179.05641	4.4
180.28085	1.2
181.12369	5.8
183.10239	10.0
195.06598	10.9
195.13907	24.5
196.14305	3.2
199.13504	2.7
201.11313	3.1
207.14006	1.7
209.08174	2.0
225.11301	8.2
225.14952	100.0
226.15247	9.6
243.12337	21.0
243.16040	4.9
244.12663	2.2
287.14996	5.1
287.18311	2.9
301.09787	1.7
311.10303	4.4
317.11197	2.8
317.19669	5.0
323.79251	1.7
343.13138	2.2
345.09174	1.3
345.22940	1.5
353.95660	1.4
357.13342	6.7
361.18661	3.1
363.09647	1.5
363.23880	2.3
387.23880	2.3
405.16632	3.9
405.21204	57.9
405.25177	24.7
406.20947	8.0
406.25766	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	405.1683
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05553	6.3
57.03443	16.3
58.00560	8.3
59.01376	100.0
60.27224	6.8
61.98840	9.8
69.03447	8.4
71.01391	37.9
73.02941	38.9
75.00880	6.1
78.00269	6.2
83.01369	11.3
85.02962	19.8
89.02435	16.1
97.06618	6.9
98.19915	27.0
99.00857	12.1
101.02453	27.7
111.08234	7.0
113.02432	13.8
119.03449	9.8
157.08743	11.3
171.10307	10.8
199.07710	6.7
201.11261	13.3
227.51375	7.6
241.14316	7.0
287.14926	17.6
287.18613	18.7
317.19662	33.8
319.21262	6.7
345.22678	14.1
361.22018	10.1
363.23856	21.7
405.16351	13.3
405.21094	46.3
405.25720	63.2
406.25613	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	405.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	3.6
57.03447	3.4
58.00598	1.7
58.02972	0.6
59.01381	100.0
60.01714	1.4
61.98864	0.6
71.01382	45.2
71.05032	0.6
72.01701	0.7
72.99311	2.3
73.02946	13.3
74.02509	1.0
74.99079	0.8
75.00872	1.2
83.01389	8.0
84.52761	0.5
85.02946	18.7
87.00893	2.3
89.02444	19.1
90.02803	0.6
95.01393	2.8
97.02969	1.3
98.19837	1.2
99.00880	4.4
99.04527	0.5
99.05669	0.7
101.02444	47.4
101.06087	3.2
101.19587	0.6
102.02817	1.0
111.68237	0.5
113.02454	18.3
113.06133	0.6
119.03505	7.5
122.97520	0.5
123.08179	0.9
125.02448	1.3
128.03552	0.7
131.03552	0.9
135.00862	1.1
135.03006	1.2
136.99185	0.7
137.09764	0.7
138.06900	0.8
141.09259	0.7
143.03529	3.1
143.04640	1.6
153.01935	16.2
153.03142	0.9
153.09262	1.9
156.95703	0.6
159.02966	2.9
161.04555	18.3
162.04861	0.8
165.09314	1.1
168.04259	15.3
179.03632	0.6
179.05656	2.1
181.12332	1.2
183.06621	14.8
184.06972	0.6
194.17238	0.5
199.13464	1.8
207.13863	1.0
225.15031	1.1
241.14615	0.6
243.16002	28.1
244.16402	2.8
287.15036	1.6
304.77026	0.6
306.07544	1.1
307.07965	1.7
384.69284	0.9
405.21396	27.8
406.17041	0.7
406.21732	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	405.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
54.87373	0.7
55.01870	1.8
57.03445	2.8
58.00600	1.9
59.01379	100.0
60.01718	1.4
61.98836	4.7
69.03455	9.3
71.01382	32.4
72.01711	1.0
72.99316	2.6
73.02945	7.6
74.02494	1.8
74.99105	1.6
75.00895	1.7
81.03477	1.0
83.01387	4.8
83.05025	0.9
84.60864	0.8
85.02945	14.6
87.00898	2.8
87.04527	2.4
89.02444	24.3
95.01391	2.6
97.02960	3.6
97.06596	1.0
99.00892	5.7
99.04540	2.1
99.05645	0.8
101.02445	25.7
102.98627	2.3
107.05014	0.9
109.02961	1.1
113.02451	13.7
119.03503	11.5
120.99713	1.7
123.08186	1.1
125.02509	1.4
128.03580	2.3
129.03862	1.0
131.03520	1.8
131.14359	0.8
135.00897	1.2
135.03018	4.2
136.99142	1.2
141.01976	1.1
141.09195	1.2
143.03520	2.4
143.04660	3.6
144.04953	1.1
153.01933	16.5
153.09242	0.9
159.03003	2.7
161.04543	14.2
163.11145	0.8
164.03458	0.8
165.09166	1.1
167.10818	3.0
168.04272	14.6
179.03470	1.2
179.05666	3.8
181.05032	0.9
183.06635	13.8
184.07036	1.3
185.00919	5.7
195.93585	0.8
206.36160	0.7
225.11467	1.2
227.25584	0.8
243.15968	6.1
255.08122	0.8
269.89667	0.8
272.08936	1.0
273.09534	1.1
287.15051	2.3
306.08032	1.1
307.07947	2.5
308.07645	0.9
357.13647	1.6
405.13263	2.1
405.17307	2.9
405.21814	10.1
406.21954	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	1.2
59.01379	100.0
60.01704	0.9
61.98839	4.2
68.66819	0.6
69.70109	2.7
71.01375	7.0
73.02943	1.3
74.99097	0.6
83.01380	0.9
85.02972	2.4
88.98797	1.3
89.02456	6.5
95.01401	1.1
97.65434	0.6
98.19904	1.1
100.97340	0.6
101.02435	4.3
113.02465	3.2
119.03550	3.1
149.09785	1.7
150.03244	0.8
152.01096	0.7
153.01962	2.5
153.05588	0.8
153.09291	0.7
161.04608	2.6
167.03493	0.9
167.10834	2.7
168.04272	4.0
179.05746	1.0
183.06609	16.1
184.07089	1.1
243.08725	2.3
243.16096	0.8
309.30682	0.7
367.28644	0.7
405.21732	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.0805
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03689	3.1
56.54818	2.5
57.03442	4.6
59.01383	41.3
61.98836	100.0
68.99820	4.8
69.03458	3.6
70.47826	9.4
71.01384	37.8
72.99313	19.8
73.02962	5.9
74.77733	2.8
75.00883	3.4
80.70564	2.7
83.01370	7.8
85.02929	15.2
87.00885	27.0
89.02457	33.1
89.22351	2.8
95.01357	3.3
97.02951	5.5
98.20589	2.9
99.00880	10.6
101.02467	19.7
109.02983	3.1
109.61356	2.9
111.00908	14.2
113.02458	15.2
115.00357	8.9
117.01995	4.0
119.03500	10.1
125.02425	4.6
127.00381	69.7
129.01959	20.1
135.04591	5.3
139.00426	3.7
141.01956	3.1
148.51314	3.3
149.02435	6.6
157.01448	27.6
161.04573	2.7
169.01398	4.7
175.02469	19.1
177.01927	39.0
183.03033	3.4
192.04344	21.2
193.23738	2.9
195.02879	3.8
199.02435	13.9
199.26094	2.7
207.06602	6.8
210.05341	3.1
225.07721	10.3
229.03584	14.9
247.04573	5.1
257.03006	5.0
259.41174	3.2
287.04105	31.3
305.05176	11.1
319.06500	4.8
347.28973	3.5
384.31992	3.0
406.13632	3.9
406.93454	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	405.0805
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	4.2
59.01382	33.8
61.98833	100.0
68.99834	4.5
71.01379	37.1
71.53663	4.5
72.99310	24.3
73.02935	5.4
75.00874	3.4
78.95918	3.6
80.91662	3.6
81.03471	2.8
83.01389	11.3
85.02940	14.2
87.00881	29.1
89.02451	15.3
95.01377	6.2
96.96017	2.9
97.02991	4.3
99.00870	13.5
101.02444	13.4
109.02944	3.6
111.00872	15.0
111.04534	2.8
113.02426	10.5
115.00390	6.6
117.01934	2.5
117.14301	2.4
117.53726	2.5
119.03518	7.3
125.02441	4.4
127.00375	54.9
127.03990	2.9
129.01945	13.4
135.03093	3.2
135.04529	5.6
139.00372	2.4
141.01967	6.7
150.65977	2.4
153.01900	3.8
154.99930	3.3
157.01437	28.1
169.01437	8.8
175.02522	17.3
181.01561	3.1
199.02522	7.1
229.03551	13.7
234.69891	2.2
248.41287	2.4
257.03061	4.6
287.04111	31.0
288.04456	3.0
295.21698	3.3
305.05054	12.5
319.06573	5.3
395.99472	2.7
398.19400	3.1
405.13513	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	403.1975
Annotation	Breyniaionoside A
Peak:m/z	Relative Intensity
52.93006	1.0
54.19475	1.2
55.01872	1.6
57.03415	1.8
58.00590	4.2
59.01381	100.0
61.98833	6.7
69.69283	4.0
69.69712	2.6
71.01384	53.7
71.05033	9.3
72.99310	6.3
73.02944	5.4
75.00869	2.0
83.01389	3.4
83.05022	1.2
85.02943	10.1
87.00864	3.6
89.02444	67.9
90.02766	1.7
95.01389	3.4
97.06585	1.9
98.20660	1.3
99.00864	1.3
99.04533	7.1
99.05084	1.3
101.02451	27.7
108.84954	1.0
111.08113	1.8
111.11639	1.1
113.02453	18.2
119.03515	27.7
120.99654	2.9
122.02451	4.5
123.04516	1.0
130.35077	1.0
131.03526	2.1
137.02490	1.2
137.09656	1.6
139.07671	1.1
143.03487	3.2
149.04504	2.1
161.04555	5.7
167.06168	10.2
171.10199	1.1
179.05605	7.5
179.14386	1.3
187.09697	1.1
197.11743	1.7
211.05101	8.9
215.12843	1.6
223.13391	62.7
224.13722	4.3
241.05113	1.2
241.14388	1.3
241.62749	1.2
255.04039	2.1
265.01370	1.1
285.13428	3.3
285.17041	2.9
315.17969	2.8
343.21106	1.5
361.22333	3.4
403.19434	8.9
403.24084	11.5
404.23981	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	404.1494
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50719	2.0
55.01885	4.9
57.03453	10.5
58.00582	2.8
58.02968	10.3
58.99585	1.9
59.01380	100.0
61.98829	16.2
69.03459	3.3
69.46701	9.4
69.47115	4.2
71.01005	3.7
71.01384	67.2
71.05000	3.6
72.99294	5.9
73.02946	16.6
74.02470	23.0
75.00884	3.1
80.94493	1.9
82.02988	2.9
83.01368	9.0
83.05003	2.2
85.02949	22.1
86.02464	9.1
87.00877	5.5
87.05638	6.6
89.02442	59.2
90.00208	3.1
95.01375	5.0
97.02940	5.8
97.04066	2.7
99.00874	6.9
99.05643	19.9
101.02438	45.0
101.06080	2.3
101.07196	4.8
102.05608	2.9
102.98614	6.0
109.02943	2.6
109.04067	2.2
112.03960	2.9
113.02454	25.8
113.03618	2.1
114.50130	1.9
119.03497	25.8
120.99638	4.2
123.08156	4.9
127.05144	5.4
128.03534	61.3
135.02962	5.0
135.05606	4.2
136.99158	2.2
141.06691	6.1
143.03586	4.8
143.04611	85.9
145.06133	2.2
146.04604	9.5
149.09727	2.4
153.06628	4.3
159.02972	2.1
160.00719	24.1
161.04530	19.5
163.11278	2.4
166.09836	6.4
167.04582	8.0
167.08250	3.3
167.10780	2.3
174.72722	2.1
175.05563	2.3
176.36777	2.0
177.03360	9.2
179.04488	12.8
179.05951	2.9
185.05656	2.6
189.12857	2.4
197.05748	4.7
198.06938	2.5
198.08743	2.4
207.13957	9.3
207.15671	1.9
210.08832	16.9
225.14888	7.1
242.07860	2.9
243.15994	57.6
254.07813	28.1
255.08032	2.8
272.08899	35.5
273.09314	2.3
287.14966	4.1
288.06519	8.9
298.03513	2.2
306.07642	93.1
307.07950	7.0
341.08432	2.0
404.19998	6.6
405.16870	5.6
405.21405	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	403.1973
Annotation	Breyniaionoside A
Peak:m/z	Relative Intensity
55.01881	2.3
57.03452	3.6
58.00595	4.0
58.65673	0.6
58.88448	0.7
58.99599	1.8
59.01380	100.0
60.01721	1.7
61.98827	3.7
62.24142	0.6
69.03450	3.7
71.01382	66.7
72.01717	1.3
72.99316	4.9
73.02955	5.1
74.02465	0.9
74.25027	0.6
74.99100	1.2
77.97659	0.6
81.03455	0.9
83.01381	3.4
85.02954	13.2
86.03294	1.0
87.00866	5.3
89.02447	78.9
90.02774	1.5
95.01396	4.3
97.03009	1.0
99.00901	1.7
101.02444	34.9
102.98594	4.6
108.02164	1.1
109.02988	1.9
109.06600	1.0
111.04513	0.8
111.91187	0.7
113.02452	24.6
114.02772	1.2
119.03504	31.2
120.99659	1.1
125.02489	1.2
125.45866	0.6
128.03600	1.4
131.03505	3.7
135.02998	0.7
135.08191	0.7
136.99101	0.6
138.06854	2.9
143.03502	3.5
143.04620	1.7
147.80208	0.6
149.04584	2.1
153.02014	2.3
153.09210	4.6
161.04602	4.1
163.11238	0.9
179.05647	4.6
179.10852	1.0
195.08232	0.7
205.12352	2.5
223.09631	0.7
223.13393	3.5
241.14424	9.8
242.14919	0.9
306.07739	1.0
403.15546	1.3
403.19910	6.6
404.20468	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50439	1.3
55.01879	5.3
55.02091	1.1
57.03431	2.3
57.05810	1.1
58.99586	1.1
59.01111	1.5
59.01384	28.8
61.98816	3.9
62.90985	1.2
69.03455	100.0
70.03772	4.2
71.01382	15.9
71.05016	1.2
71.54913	1.5
72.99298	9.1
73.02943	6.6
75.00874	1.2
79.01890	5.7
83.01380	1.8
83.04988	1.6
85.02941	5.8
87.00854	3.0
87.04501	1.3
89.02445	10.7
91.58094	1.2
95.01383	5.1
97.02946	22.5
97.06597	2.2
99.00877	31.2
99.04498	1.4
101.02423	8.5
101.06057	1.4
102.98618	2.1
109.02932	1.8
109.06604	1.9
113.02429	5.0
117.03468	1.3
119.03528	2.2
119.05005	2.3
120.99642	3.4
134.03716	2.5
135.02968	3.9
135.04529	6.2
135.11823	1.5
136.99144	1.6
137.02460	2.5
141.01950	13.0
143.03429	1.3
149.02448	1.3
151.04080	1.2
161.04527	3.0
178.02704	1.3
179.05617	1.5
179.10759	7.5
179.72389	1.1
181.08653	1.4
185.00902	78.3
186.01180	2.5
193.05125	1.7
217.14395	4.9
223.09686	5.1
223.13385	2.1
224.10065	1.3
237.09166	1.5
241.10799	3.8
241.14381	1.8
253.08499	1.3
281.08182	2.8
285.13623	2.8
285.17035	6.8
297.07681	1.4
299.09180	3.6
315.08664	1.9
321.37741	1.1
325.07172	1.9
343.08240	4.2
344.08826	2.5
344.79385	1.1
359.11591	1.6
361.09201	4.2
361.22400	1.7
403.10428	1.6
403.15491	20.6
403.24423	6.0
404.15845	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	403.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77561	1.2
57.03450	3.6
57.15902	1.2
58.00578	3.6
59.01378	85.9
61.98822	3.8
62.41897	1.2
65.12739	1.1
67.05547	1.5
67.51836	1.2
69.03487	1.5
69.76006	7.1
71.01384	37.5
71.05029	1.9
72.99301	4.7
73.02943	9.4
74.99104	1.8
83.01389	2.8
83.05010	1.5
85.02954	8.5
87.00880	2.9
87.04505	1.8
89.02442	41.8
90.02747	1.3
93.03448	1.2
93.54359	1.1
95.01382	3.4
97.06606	3.0
99.00866	2.2
99.04527	4.0
101.02445	19.5
109.06588	1.9
113.02449	15.4
119.03504	17.9
120.99619	3.2
122.06097	2.5
123.08154	1.5
124.05268	1.8
132.04605	1.3
135.02995	1.3
135.11797	5.1
139.07669	1.2
143.03448	2.4
143.27721	1.7
147.03305	2.6
149.04564	1.3
151.00729	2.6
152.07156	1.8
155.10762	1.9
161.04523	2.5
161.09724	4.4
167.06155	3.5
179.05603	5.3
179.10767	52.1
180.11116	4.0
190.05089	1.5
206.04642	1.4
211.05150	1.4
223.09760	100.0
223.13347	4.4
224.10080	6.1
241.14516	3.3
253.06180	1.9
283.10858	5.2
285.13773	2.1
285.17078	6.5
309.08603	1.8
315.17908	2.3
327.09863	7.3
343.21268	2.6
361.22232	5.4
371.08896	4.8
403.15244	18.1
403.19641	8.7
403.24405	11.2
404.15921	2.9
404.23886	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	402.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
55.17822	12.6
59.01361	21.4
61.98830	100.0
62.42429	12.7
69.53496	87.9
78.95996	15.4
101.38474	12.7
101.81134	14.4
112.97183	14.5
130.64487	12.5
142.28975	14.7
146.96584	45.6
164.85445	13.8
167.72354	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	403.1247
Annotation	10-Acetylmonomelittoside
Peak:m/z	Relative Intensity
57.03432	2.9
58.00579	2.0
59.01381	44.0
61.98832	64.9
67.02634	1.7
69.03428	3.2
71.01383	29.3
71.13707	4.1
72.99310	37.0
73.02922	6.2
74.99072	6.7
75.00835	3.3
78.95859	2.1
83.01385	3.6
85.02943	11.1
86.03255	1.6
87.00876	11.7
89.02442	27.5
93.03416	2.4
95.01378	3.6
96.95995	2.0
96.96964	2.1
99.00855	4.2
101.02429	20.0
101.75715	1.7
102.98582	3.2
108.02178	30.4
109.06448	1.8
113.02444	13.0
117.01926	2.0
119.03481	8.2
120.99630	7.1
121.02946	1.9
123.00847	7.1
123.04531	14.5
125.02448	3.9
129.09111	1.8
135.04474	3.7
135.08101	2.0
136.99097	5.4
137.02423	5.0
138.03183	7.9
139.03981	2.9
143.03452	4.3
149.02441	23.1
150.03133	2.4
151.03957	6.4
152.01154	62.6
152.04773	4.1
153.01645	3.3
153.05545	5.9
161.04575	9.9
161.05779	2.4
161.09659	2.0
164.04803	32.9
165.01865	5.8
167.03500	100.0
168.03806	3.7
179.03415	5.7
179.05673	2.7
179.07118	15.1
179.10797	2.9
180.04248	5.2
181.04955	3.0
193.01335	3.0
195.06525	7.8
205.12285	2.3
208.03787	10.6
223.06143	32.7
241.07170	87.1
242.07437	6.9
341.08307	1.7
355.81482	1.7
403.12320	67.5
403.19824	2.8
404.12646	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	403.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	4.0
57.03445	3.7
59.01380	37.5
59.83641	1.6
61.98830	3.6
67.05504	1.1
69.03455	100.0
70.03782	3.0
70.14966	5.4
71.01385	19.3
72.99306	12.4
73.02950	7.5
74.99087	2.3
75.00878	1.5
79.01913	5.0
83.01408	2.3
83.05041	2.6
85.02948	8.0
87.00876	4.2
89.02448	15.1
95.01398	5.1
95.67802	1.3
97.02953	19.5
97.06599	1.3
98.20051	1.6
99.00877	24.6
99.04502	2.1
101.02455	10.3
107.04997	1.5
109.06567	1.6
111.08168	1.9
113.02454	4.8
117.03439	1.8
119.03529	6.1
119.05021	2.3
120.10903	1.3
120.99644	3.2
123.08162	1.6
127.11270	2.1
134.03743	4.1
135.02957	3.2
135.04510	12.0
135.98390	2.3
136.99077	1.6
137.02496	1.2
137.09802	1.6
138.65042	1.2
141.01920	9.0
149.12167	1.4
150.03206	1.5
151.03966	2.3
153.96938	1.4
161.04558	2.5
166.44611	1.3
167.03470	1.5
179.03450	1.7
179.05646	2.2
179.10771	14.8
180.11075	1.8
185.00906	69.4
186.01253	3.9
193.05019	2.3
197.11769	1.6
217.14429	5.3
223.09727	13.2
223.13432	3.0
224.10020	1.6
237.09196	3.9
241.10628	6.2
241.14429	1.7
253.08592	2.2
281.08142	4.9
285.13632	3.1
285.17114	10.8
297.07535	1.7
299.09140	7.0
315.08701	3.0
325.07071	1.8
343.08295	10.7
359.11389	3.6
361.09363	6.1
361.22180	1.5
371.08453	1.7
403.10278	3.1
403.15393	22.0
403.20782	2.2
403.24387	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	402.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98397	7.9
55.93773	7.8
59.01377	63.8
61.98819	23.9
71.01353	12.2
71.55163	13.4
73.02967	8.2
101.02435	10.1
111.08116	12.7
121.02964	100.0
122.03286	41.7
194.14560	8.9
285.17273	13.2
314.07483	20.4
402.09018	29.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.0675
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10848	0.3
57.03445	0.5
57.36707	0.3
58.00582	0.5
58.99606	0.5
59.01380	8.5
60.01718	0.4
60.26785	0.2
61.98831	100.0
63.24540	0.3
66.03480	0.3
69.03455	0.6
69.21626	0.5
69.22037	2.5
71.01385	5.3
72.97513	0.5
72.99318	1.0
73.02959	1.2
74.99100	1.8
75.00880	1.0
78.48849	0.3
78.91801	0.3
78.95907	0.8
80.96531	0.5
83.01385	0.4
85.02936	2.3
87.00881	0.9
89.02448	4.7
93.09057	0.3
95.01371	0.5
96.96027	1.8
96.96976	1.5
97.02943	0.4
98.20591	0.7
99.00909	0.4
101.02430	3.3
102.98621	2.7
106.10296	0.3
109.02972	0.5
109.06596	0.4
109.89182	0.3
111.00893	0.6
113.02462	2.4
117.97280	0.4
119.03502	1.9
119.04984	0.3
119.42018	0.3
120.99669	1.3
125.02485	1.0
135.02997	2.0
135.04544	0.6
135.98326	0.4
136.05255	0.3
136.99124	1.6
137.02518	0.6
138.02000	0.4
139.07681	0.3
143.03481	0.4
147.04538	0.9
148.05359	0.7
149.06099	1.8
150.03262	0.4
151.07681	0.9
153.09235	0.6
154.07646	0.3
161.04585	1.3
161.06013	0.7
163.04077	0.7
163.07640	0.5
165.05605	0.5
175.04042	1.0
176.04645	0.3
177.05498	0.4
179.05704	0.7
179.07179	0.5
179.10818	0.5
180.07921	0.5
181.08795	0.5
182.64772	0.3
189.05615	0.9
191.03601	0.3
191.07158	0.8
215.51523	0.3
217.05087	1.0
219.02885	0.4
221.11783	0.6
223.09879	0.4
223.13362	2.8
235.06154	1.3
237.04100	0.8
240.03499	0.8
240.08856	0.4
241.14502	0.8
279.05106	0.6
295.08334	0.8
297.83588	0.4
305.06775	0.6
339.07181	6.7
340.07632	0.9
385.14957	0.4
402.10736	0.8
402.15503	0.5
403.15561	0.7
403.19955	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	2.3
55.42331	1.5
57.03444	23.7
58.00596	2.6
59.01380	75.9
61.98840	3.0
63.16872	1.6
67.01923	1.3
67.32187	1.6
68.97828	1.6
69.03453	4.2
69.58057	11.3
71.01381	57.9
71.01776	2.8
72.99290	3.6
73.02959	8.5
73.05016	1.7
74.99104	1.7
83.01393	4.0
83.05017	2.2
85.02940	19.3
87.00883	5.4
89.02447	45.1
93.03474	1.8
95.01385	5.4
95.05045	2.6
97.02926	2.2
99.00878	2.7
101.02442	31.7
102.98602	3.8
108.02208	3.1
109.06563	2.0
111.00875	1.8
113.02457	21.0
119.03500	14.1
119.04925	2.1
120.99625	3.1
121.06574	3.6
123.04566	8.4
123.08148	8.3
125.02481	2.5
131.03535	2.5
133.06563	2.1
133.10229	2.4
134.03687	2.3
135.04498	8.4
135.08136	2.5
139.07649	2.0
143.03511	2.6
148.05261	1.9
149.09669	4.3
151.07660	24.3
159.02962	3.0
160.08882	1.6
161.04532	11.0
161.09703	11.6
163.07660	20.2
165.09189	12.2
168.07848	2.0
173.09680	2.1
175.11281	1.7
177.09225	18.8
177.12827	3.0
179.05669	2.3
179.10780	22.3
186.68410	1.6
187.07692	2.9
188.08397	10.4
195.10255	2.2
203.10768	63.6
203.12689	3.1
204.11082	5.2
206.09367	3.1
221.11815	100.0
222.12131	9.8
239.12932	5.0
241.07175	5.9
271.10016	1.9
283.15509	5.1
355.79449	1.8
401.18143	6.0
404.82263	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.3
57.03455	2.6
58.00587	5.1
59.01377	100.0
60.01703	1.3
61.74165	0.7
61.98827	3.4
69.03448	2.2
71.01379	70.2
71.54469	0.7
72.01708	1.5
72.97546	0.8
72.99303	6.8
73.02956	4.6
74.02523	0.8
74.99124	1.7
75.00872	1.3
81.03485	1.0
83.01380	4.0
85.02951	16.1
87.00859	4.6
87.04523	0.8
89.02442	77.8
90.02794	0.7
93.03465	4.0
95.01392	4.3
95.05042	1.1
97.02950	2.2
99.00889	2.6
101.02441	36.1
102.02782	1.0
102.98549	0.8
108.02199	1.7
109.02998	0.8
109.42880	0.8
111.00883	1.1
111.04556	0.9
113.02449	26.9
119.03500	30.7
120.03867	0.9
120.99677	1.9
121.02985	2.1
123.04513	6.1
123.08170	1.0
125.02468	1.4
125.06098	0.9
131.03494	3.6
135.03064	1.1
135.04536	1.6
136.05367	1.1
136.07610	1.1
136.99178	0.8
137.02406	5.5
137.06053	0.8
138.06909	2.8
139.00403	1.0
139.07657	0.8
141.05649	0.8
143.03479	3.5
144.17924	0.6
149.02414	0.7
149.04575	1.7
149.06174	0.8
151.04120	0.9
151.07614	4.1
152.08415	1.5
153.09221	10.6
161.04578	4.6
161.09583	0.7
164.08424	1.3
165.09186	3.8
167.03528	2.2
172.86180	0.7
175.04066	0.7
175.11267	0.7
177.02055	0.8
177.09129	0.7
179.03580	1.3
179.05618	5.2
179.07184	3.2
179.10793	1.5
185.00844	0.7
187.07639	2.2
188.08374	1.2
193.05026	1.0
193.61964	0.7
197.04654	0.9
198.44193	0.7
203.10806	5.5
204.11053	1.3
206.09462	5.7
209.04524	1.1
220.11098	1.1
221.11815	11.5
222.12183	1.7
239.05663	1.6
239.12915	3.2
241.07156	6.4
257.33386	0.7
267.07425	1.0
281.06845	1.2
283.08301	2.4
283.11401	0.7
283.15195	0.8
311.07773	2.5
362.60718	0.8
401.10233	4.8
401.18170	1.9
402.18698	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	9.6
57.03450	8.2
58.00588	1.9
59.01379	61.6
59.06183	1.3
61.98841	3.1
67.01875	1.3
69.03457	19.1
71.01385	99.8
72.01710	2.6
72.97536	2.5
72.99295	6.2
73.02947	47.6
74.99087	6.0
75.00857	4.6
80.11700	1.2
81.03442	2.0
83.01385	16.0
85.02454	2.6
85.02951	46.4
87.00886	11.1
89.02441	32.7
90.98576	4.2
91.72913	1.3
92.05072	1.4
93.03416	1.5
95.01394	7.3
95.05015	2.2
97.02945	8.2
97.06560	2.3
99.00264	2.2
99.00880	26.3
99.04557	1.9
101.02440	78.3
102.02787	1.7
102.39786	1.4
102.98582	5.7
107.08610	1.3
109.02927	2.0
109.06590	1.6
111.00850	2.4
113.02449	42.9
115.03973	5.4
119.03476	4.5
120.99632	3.1
125.02475	7.3
125.06045	1.8
126.02790	1.8
129.01891	2.1
131.03485	6.0
135.02995	3.8
135.08145	1.9
135.56596	1.5
136.99141	1.6
141.01930	3.1
143.03482	6.1
149.04573	1.6
153.09286	1.6
159.03030	7.5
161.03258	3.0
161.04555	51.9
161.05888	3.3
162.04814	2.4
165.09174	2.4
177.09158	2.4
179.00171	6.0
179.05591	2.3
179.07022	1.4
179.10783	2.1
185.00917	12.0
191.05579	2.4
195.05515	1.6
195.10194	1.8
203.10846	3.4
221.11813	5.2
233.06660	10.2
239.09256	2.3
239.12901	2.1
240.08815	1.4
252.53577	1.3
269.10297	100.0
270.10709	7.9
271.10330	1.9
271.95001	1.4
283.12207	2.6
283.15482	8.3
293.08701	2.6
374.57657	1.7
401.14420	81.9
402.14636	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1088
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	4.8
68.99831	3.0
69.20708	18.6
71.01385	4.5
73.02944	6.1
74.83358	1.7
77.72706	1.6
85.02946	7.1
87.00874	61.3
96.10709	1.7
99.53620	1.6
101.02435	4.7
109.02995	1.9
113.02430	3.3
116.88561	1.9
121.02999	3.6
123.00887	5.3
124.01703	2.0
131.03476	2.9
135.04475	3.6
138.03282	3.5
149.02431	5.3
151.00435	4.6
153.05551	2.4
157.62869	1.8
161.02376	9.5
161.06027	2.1
163.04007	26.1
164.04802	17.0
165.05569	4.4
166.02710	11.2
173.02435	2.0
175.03995	7.2
176.01109	2.6
176.04774	12.0
177.01913	5.8
177.05435	1.8
178.06355	23.2
179.03523	13.1
179.07124	32.0
180.07439	3.2
181.05072	11.0
187.04047	3.0
188.04724	2.8
190.02696	4.0
191.03502	25.5
191.07115	9.9
192.04131	5.1
193.04980	11.0
193.08784	3.4
194.05867	11.0
202.02818	2.0
203.03526	9.1
204.04219	2.0
205.01373	2.3
205.05040	10.3
206.05835	10.2
207.02989	2.8
207.06563	4.5
209.08255	9.8
218.05905	5.5
219.03033	7.0
219.06570	2.5
220.03546	2.5
221.04492	4.4
221.08054	9.4
233.08134	2.3
234.05377	3.6
235.06091	3.2
236.06897	3.8
237.07582	3.7
238.04836	2.9
247.02391	8.8
247.06123	4.4
249.07689	7.6
251.09386	2.4
262.04944	13.1
262.07428	2.0
265.07159	69.9
266.07523	6.1
277.07178	32.6
278.07373	4.4
295.08215	100.0
296.08527	8.2
325.09366	2.8
337.09338	3.7
355.10312	22.3
356.10342	2.4
383.09824	10.1
401.10895	91.2
402.11252	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	401.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
54.86906	1.0
57.03432	2.7
59.01381	22.5
61.98828	10.0
68.99809	3.0
69.03468	1.9
69.47795	6.9
71.01378	22.2
71.31786	0.9
72.99316	5.5
73.02944	2.0
74.91103	1.0
75.00874	19.5
76.46656	1.0
79.43142	1.1
79.55058	1.2
84.38631	0.9
85.02953	27.6
85.03456	1.8
86.24935	0.9
87.00872	10.4
89.02444	5.8
90.22339	1.0
93.03461	1.6
95.01384	6.8
99.00896	11.1
101.02429	1.6
103.00352	2.8
106.04212	3.6
107.05035	11.3
113.02453	32.1
115.00343	1.7
117.01933	2.3
121.02960	3.0
123.00906	1.9
123.04517	5.1
129.01906	1.6
133.02972	7.7
138.03223	2.5
149.06122	1.4
151.04005	22.5
152.04350	1.3
153.05594	1.4
157.01514	1.5
175.02475	3.5
182.02284	2.5
197.04565	5.6
205.07210	1.4
207.05101	2.0
221.11864	1.5
224.51329	1.1
225.07672	1.5
231.05154	2.1
239.05566	2.3
249.06145	34.1
250.06435	1.5
267.07199	57.3
268.07602	2.9
341.08890	1.8
383.09717	2.9
401.10861	100.0
402.11139	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	399.1656
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	4.8
55.48823	1.9
55.58592	1.9
57.03444	7.5
59.01380	100.0
61.08780	2.3
61.98837	6.0
69.03462	6.0
71.01382	37.2
71.38008	2.1
71.55379	3.3
72.99307	6.4
73.02950	11.2
74.99098	7.1
75.00906	2.5
75.60768	2.2
78.40289	2.1
83.01399	8.0
83.05021	4.9
85.02945	22.2
86.03346	2.6
87.00880	6.2
89.02448	13.4
95.01380	3.7
95.05074	2.5
97.02959	3.9
99.00882	5.5
99.04511	4.1
100.91662	2.1
101.02454	22.1
102.98605	3.5
111.00878	3.4
113.02438	12.6
115.04014	3.3
119.03485	2.9
119.05024	4.7
120.99651	4.5
121.02984	6.2
135.02997	7.8
135.04500	7.2
136.99123	6.9
145.76045	2.2
147.04402	4.3
148.32637	2.1
151.07591	2.7
161.04559	5.2
163.04050	2.4
163.11328	4.8
177.09187	4.3
178.46466	2.2
179.07202	3.0
180.07898	34.3
181.08531	2.5
195.10271	39.0
196.10579	2.4
219.10222	3.5
219.13838	2.2
237.11244	4.4
237.14908	14.6
281.13910	12.1
291.96759	2.1
311.09152	7.1
324.12335	3.2
339.14481	78.8
339.18491	4.8
340.14825	9.7
346.90332	2.3
357.15570	61.0
357.19656	3.7
358.15833	9.1
399.16177	14.2
399.20898	4.3
399.24878	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	400.073
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21014	0.8
55.43481	0.9
59.01374	2.0
61.89611	0.9
61.98830	100.0
71.01399	2.0
71.53886	2.0
85.02949	0.9
87.00893	2.5
97.22408	0.8
101.02468	1.1
149.83908	0.9
179.07120	1.1
184.19592	1.0
265.07166	1.6
295.08185	0.9
332.37698	0.9
375.38831	0.9
386.02435	0.9
401.10831	3.1
406.00668	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	2.0
57.03442	1.8
58.00586	2.3
59.01381	100.0
60.01697	1.1
69.03450	4.7
69.31902	10.4
71.01383	24.7
72.99293	2.7
73.02954	4.8
75.00883	1.7
79.05530	2.9
83.01384	2.9
83.05033	3.3
85.02950	9.9
87.00852	1.9
89.02451	20.6
93.07103	1.7
95.01402	2.2
96.39340	1.3
97.02934	2.2
99.00843	1.9
101.02449	16.0
102.98591	2.9
113.02447	8.8
119.03487	7.0
119.05018	2.7
121.02976	1.7
133.10251	2.9
135.02962	4.4
143.03477	1.6
145.06543	5.2
149.09726	1.5
157.10188	1.7
159.08157	4.0
160.08946	31.4
161.04543	4.8
161.09267	2.2
173.09724	4.6
175.11279	61.0
176.11653	6.4
177.25826	1.1
179.05522	1.3
185.00871	3.2
204.13121	1.1
219.10254	67.0
220.10582	4.9
225.39908	1.0
251.11327	9.7
255.11002	1.4
279.08752	1.9
281.10263	2.3
281.13672	2.4
285.04071	1.6
344.86322	1.3
399.16684	29.5
400.16956	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1481
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99604	16.7
59.01383	4.4
61.98826	1.3
69.76240	0.8
69.76653	0.9
71.01396	1.8
72.74461	0.3
72.99311	0.5
73.02944	0.7
74.99097	2.4
84.27686	0.3
85.02943	0.7
87.00865	0.6
89.02448	0.6
93.03473	0.4
94.21734	0.3
96.22281	0.3
99.00889	0.4
101.02448	1.1
102.98597	100.0
103.98997	1.9
105.01900	1.0
106.04356	0.3
109.02946	0.3
111.04487	0.3
113.02436	0.6
119.03503	0.3
119.05041	0.4
120.99663	2.3
125.09698	0.4
139.00357	0.5
140.01128	0.3
144.44090	0.3
146.27216	0.3
147.04552	0.5
163.00699	6.2
192.24463	0.3
225.13228	0.5
229.42442	0.3
230.61333	0.3
233.09683	0.5
235.13344	0.4
237.07550	0.8
246.80449	0.3
249.09157	0.7
249.12772	0.5
253.06104	1.4
269.15833	1.2
277.12289	0.4
281.14075	0.6
295.09900	0.6
295.13345	0.8
311.09348	0.7
339.11914	0.3
357.13492	0.6
399.24356	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1479
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.0
57.03441	3.7
58.90655	1.0
58.99604	4.8
59.01375	10.9
61.98817	3.4
65.15778	0.8
71.01380	9.5
71.56054	1.3
72.99294	1.1
73.01159	1.3
73.02929	3.5
74.99061	1.3
83.01397	1.7
83.05025	1.5
85.02970	5.0
89.02438	3.6
95.01394	0.9
95.28093	0.9
99.00912	1.0
101.00667	1.1
101.02431	8.1
102.98598	8.6
104.22765	1.0
113.02409	4.5
115.02288	1.5
119.03504	2.1
121.06621	1.3
125.09695	0.8
133.06673	1.0
137.09729	8.1
138.01445	2.5
139.02217	1.0
152.02910	1.0
153.03781	1.1
156.18352	1.0
161.04536	3.1
161.09674	3.1
163.00543	0.8
163.07611	1.2
163.11284	1.4
169.06927	83.4
170.07222	4.4
179.05397	4.0
181.03285	2.1
194.07658	1.1
195.08525	6.9
203.10748	7.8
205.06946	2.1
205.12408	1.2
213.21901	0.9
219.08440	10.5
219.10339	1.3
220.08710	1.3
229.12285	1.6
237.09543	100.0
238.09846	8.6
238.97096	0.9
249.12849	1.5
263.11148	8.9
269.12207	20.8
269.15283	1.6
270.12430	2.1
277.12317	2.7
295.13467	4.1
339.12476	2.9
354.66003	0.8
357.13660	9.5
399.14795	2.7
399.19507	1.4
399.24301	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	399.1084
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	10.9
69.03451	1.0
69.20889	3.4
69.21313	5.4
71.01394	3.5
72.99310	1.9
73.02969	1.2
74.99078	1.1
83.05066	0.9
85.02971	1.5
87.00897	1.9
89.02452	1.0
93.03455	6.9
102.98589	1.1
103.05574	1.2
105.01939	30.2
108.02183	3.5
113.06128	0.8
115.05524	1.0
117.03471	1.6
119.05030	65.8
120.05383	2.2
121.03004	1.2
133.02940	1.2
135.03024	0.8
135.04514	1.5
137.02528	0.9
143.05003	4.0
145.06599	1.9
147.04524	31.7
148.04843	1.8
161.06075	1.1
163.04012	20.3
195.08191	1.5
206.59488	0.9
207.08348	1.2
214.24655	1.0
219.08244	0.9
221.09740	17.4
221.11841	1.3
222.10297	3.9
223.11290	8.3
234.50461	1.1
235.06100	1.6
237.09181	13.2
237.11305	1.7
237.14993	1.1
238.09613	1.7
249.09201	4.8
253.06067	1.1
267.10236	13.7
268.10522	2.6
281.10489	1.1
281.13925	2.1
293.08142	1.7
311.09262	100.0
312.09604	10.1
341.12494	1.2
349.22641	0.9
399.11462	1.3
399.16550	2.8
399.20688	2.2
399.25171	0.9
424.81180	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1084
Annotation	Unknow
Peak:m/z	Relative Intensity
54.65417	0.7
57.03454	1.0
59.01376	10.0
61.98832	1.4
69.23944	0.8
69.24257	8.3
71.01373	3.9
72.99305	2.1
73.02921	1.1
85.02956	1.2
87.00869	1.0
89.02423	3.2
93.03433	3.0
97.06583	1.1
99.00895	0.8
99.04491	1.1
101.02410	2.0
102.98589	2.3
103.05577	0.9
104.98177	0.9
105.01939	21.1
108.02209	1.0
109.02981	1.0
109.99211	0.8
111.08168	0.9
113.02446	0.9
117.03478	1.0
118.37998	0.8
119.05029	67.4
120.05330	4.2
120.99665	2.0
121.02912	2.9
129.01915	0.8
135.03032	1.0
143.04999	1.7
145.02888	1.1
145.06523	1.5
147.04539	10.0
161.05962	0.8
163.02759	1.0
163.04008	11.3
164.04416	0.9
182.86542	0.7
201.15025	1.3
202.15187	1.2
205.12276	2.1
219.08232	1.2
219.10193	1.3
221.09825	6.8
222.10332	1.7
223.11305	4.8
237.09256	5.7
249.09138	2.6
249.11363	1.6
250.09505	0.8
265.18048	5.6
266.18307	0.8
267.10300	8.3
268.10565	1.0
281.13846	2.1
293.08231	1.1
309.17072	7.9
311.09250	100.0
312.09561	12.1
339.18091	0.8
357.19299	1.5
382.94910	0.9
399.11520	1.5
399.16315	12.2
399.24725	1.7
400.16830	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.0932
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	4.8
57.03449	21.7
59.01377	6.3
61.98804	1.8
67.01861	1.8
68.43059	1.0
69.03459	4.8
71.01380	9.0
71.54446	1.4
72.99303	2.8
73.02934	2.1
73.98724	1.2
75.00864	4.8
78.64886	1.0
79.05533	2.9
80.02673	1.0
83.01392	10.6
84.01703	1.0
84.02158	3.1
85.02951	100.0
86.03296	2.3
87.00870	1.7
89.02463	1.3
95.05016	4.3
97.02940	1.2
97.06577	4.0
99.00857	1.8
101.02437	7.0
101.24846	1.0
111.00880	28.3
112.01207	1.0
113.02468	1.9
129.01945	42.1
129.05614	1.0
130.02280	1.2
134.03745	17.1
135.03024	10.5
136.34169	0.9
137.02434	1.6
139.03992	3.7
141.05606	2.5
146.42308	1.0
161.04546	3.6
175.04018	1.5
178.02676	2.9
179.05602	1.2
185.00987	1.5
187.02495	1.0
188.47220	1.0
193.05058	14.1
195.06490	1.2
204.40460	1.1
205.01633	1.8
205.03516	25.6
206.03798	1.0
213.01523	1.0
223.04591	18.2
237.07698	1.4
251.69298	1.0
258.03879	1.0
281.10245	1.3
281.13818	2.0
399.16769	1.5
400.12494	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.0931
Annotation	Linderofruticoside A
Peak:m/z	Relative Intensity
55.01862	3.1
57.03455	12.2
59.01386	17.3
61.98826	7.7
62.62222	1.3
68.86799	1.6
69.03460	2.2
69.78822	7.3
71.01380	11.5
72.99310	1.9
73.02927	2.9
75.00870	2.3
83.01400	6.7
84.01703	1.5
85.02951	59.8
87.00876	3.6
89.02438	5.6
91.59949	1.2
95.05044	2.7
96.17065	1.2
101.02426	5.4
101.09014	1.3
111.00893	16.5
113.02424	2.1
121.02988	1.7
129.01941	20.0
132.01233	1.9
132.02185	23.3
132.45743	1.3
134.03741	32.8
135.02980	6.1
135.03960	2.1
137.02406	2.6
139.03961	3.6
149.02415	2.7
149.06120	7.1
150.03189	1.2
160.01659	93.0
161.02025	5.5
161.04510	1.7
175.03996	44.3
175.11247	2.1
176.04599	2.8
178.02704	10.6
193.03322	2.4
193.05038	26.9
194.05469	1.9
204.00620	3.0
205.03546	13.6
219.02977	58.0
219.10152	1.7
220.03282	4.7
223.04576	17.0
235.05951	1.5
237.04036	24.5
238.04352	2.0
279.05106	1.7
281.06644	5.5
281.10263	4.7
281.13693	2.2
332.38177	1.8
399.09241	100.0
400.09525	11.8
400.13849	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1083
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05900	0.5
59.01381	4.8
61.98836	0.7
67.56367	0.5
69.03443	0.7
69.25630	0.5
71.01372	1.0
71.56058	1.0
72.99313	5.9
73.02962	1.1
75.00879	2.9
85.02949	0.6
90.02884	0.5
93.03467	2.3
95.05027	0.5
96.99314	0.5
97.02962	0.7
101.02432	0.7
102.98631	1.0
103.88020	0.5
104.72511	0.5
105.01934	100.0
106.02301	1.8
113.02453	0.8
119.05020	6.2
120.05389	0.6
135.42876	0.6
143.05026	0.7
147.04495	3.4
163.03954	4.3
221.09555	0.7
223.11348	1.7
237.14986	0.6
249.09227	1.1
253.06331	0.6
267.10193	1.9
269.15912	0.7
281.14059	1.1
293.07996	0.9
311.09259	11.1
312.09515	1.3
357.24084	0.5
377.78574	0.6
399.11624	0.6
399.24036	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.0932
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47686	1.4
55.01867	4.6
57.03445	18.5
59.01379	9.0
61.98833	10.6
65.99977	1.3
67.01884	1.5
69.03458	2.1
71.01379	10.6
72.99304	3.4
73.02932	5.3
75.00861	5.9
77.86372	1.3
83.01379	10.9
84.02145	3.0
85.02948	93.5
86.03297	2.5
86.90031	1.5
87.00858	2.3
89.02451	1.9
95.05034	1.9
97.06619	2.0
99.00878	3.1
101.02444	8.3
103.03972	1.5
111.00870	32.4
113.02452	1.5
129.00964	1.8
129.01938	34.3
130.02226	1.9
130.18733	1.4
134.03731	12.2
135.03015	9.3
139.03999	2.1
147.03020	2.0
149.06091	1.9
160.01653	1.6
161.04593	3.2
162.93552	1.8
178.02621	2.3
187.02466	3.8
193.05046	12.9
205.03511	36.0
206.03835	1.5
223.04579	100.0
224.04890	4.6
240.23132	1.5
281.10223	3.4
281.13864	4.1
399.25714	1.7
418.26318	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.0932
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	5.3
57.03449	18.1
58.23835	0.9
59.01376	5.5
61.98819	4.1
67.01878	1.3
68.99841	1.1
70.78117	2.5
71.01387	10.0
72.99305	3.0
73.02945	2.5
75.00858	3.5
83.01380	7.9
84.02183	2.0
85.02953	100.0
86.03294	3.1
89.02449	2.2
93.48816	0.9
97.06574	1.0
98.99223	0.9
101.02441	5.8
106.45484	0.9
111.00161	1.9
111.00883	27.1
117.03430	1.7
122.83557	0.8
129.01947	43.1
130.02278	1.5
130.08749	1.5
134.03738	15.6
135.02991	4.0
139.03995	1.2
149.06058	2.4
160.01645	2.2
160.08853	1.0
161.04543	2.3
175.03998	2.9
177.03949	1.1
178.02690	2.5
187.02417	2.6
193.05049	14.5
194.05463	1.1
201.11368	1.0
204.56291	1.0
205.03522	27.8
206.03957	1.5
219.10300	1.7
223.04596	21.9
256.92764	1.0
281.06836	1.2
281.10251	1.5
305.00641	1.0
362.86966	1.1
399.09134	2.1
399.13626	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.093
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39521	1.3
55.01859	3.4
57.03439	6.3
59.01381	21.0
61.98816	5.8
69.03474	6.9
69.22797	13.1
71.01385	10.0
72.99294	3.8
73.02945	4.9
74.99084	1.6
75.00875	7.2
75.01256	1.1
79.05531	2.6
83.01387	6.5
83.05038	1.5
84.02157	1.5
85.02949	41.8
87.00872	5.9
89.02438	8.5
90.62117	1.3
95.05000	8.3
97.02947	3.0
97.06587	8.8
98.20663	2.7
98.75360	1.3
99.00858	2.7
101.02422	7.0
102.98559	1.5
110.86962	1.2
111.00873	9.2
111.04459	1.7
112.46981	1.2
113.02448	3.6
119.03480	2.5
119.05025	2.2
120.99651	2.6
121.02953	1.7
121.06602	1.4
129.01955	11.6
129.14288	1.4
134.03745	45.4
135.03009	22.9
135.04016	3.2
137.02400	6.3
139.03979	8.2
140.20061	1.3
141.05566	4.4
149.06084	16.1
150.95102	1.3
152.95300	1.2
155.05376	2.5
161.02446	1.3
161.04599	2.0
162.03145	3.3
163.07620	1.3
165.09213	5.7
175.11229	2.2
177.05556	4.9
178.02690	27.3
179.03050	1.8
179.07082	2.0
185.00929	3.7
187.02461	1.3
193.05045	100.0
193.12389	1.5
194.05374	6.7
196.09871	1.4
205.03497	11.2
219.10139	2.2
223.04568	17.8
224.04727	1.6
237.07463	1.8
237.11328	3.6
241.26286	1.6
281.06601	27.2
281.10211	4.9
281.13782	13.7
282.06940	2.2
282.14340	1.7
339.10526	2.3
355.37744	1.2
399.08310	6.4
399.16745	8.0
399.25378	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	399.0929
Annotation	Unknow
Peak:m/z	Relative Intensity
54.75882	1.3
55.01878	3.9
57.03451	20.9
59.01378	15.5
63.47574	1.2
68.99838	1.3
69.03453	3.4
69.69656	6.9
71.01375	13.7
72.99300	4.9
73.02946	3.3
74.99082	1.3
75.00873	11.1
79.05538	3.0
81.03459	1.5
83.01381	10.3
83.05027	3.5
84.02159	3.3
85.02950	96.5
86.03273	2.1
87.00873	3.0
89.02423	3.7
95.05025	4.7
96.96010	1.7
97.06598	6.3
98.19875	1.5
99.04500	1.6
101.02454	8.4
102.98595	2.5
103.03931	1.3
111.00881	36.7
113.02434	3.1
117.01971	1.4
119.04963	1.2
121.03010	1.2
121.06602	2.4
123.08119	1.5
129.01942	36.0
130.02228	2.0
134.03737	12.3
135.02998	27.6
139.03989	3.5
141.05600	1.7
147.02940	2.0
147.08145	1.5
149.09703	3.1
161.04526	3.4
165.04102	1.3
175.07628	2.1
175.11296	3.5
185.05888	1.2
187.02451	2.9
193.05052	5.9
201.12900	1.5
205.03532	37.8
219.10120	1.3
223.04590	100.0
224.04932	5.1
237.11288	1.5
257.21539	1.3
281.10596	2.7
281.13910	14.4
282.14139	1.9
399.12576	5.0
399.17169	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	397.1688
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.5
58.99605	15.7
59.01379	4.3
61.18920	0.4
69.92757	1.9
71.01379	1.9
71.05029	0.4
74.99110	2.4
83.31873	0.4
85.02930	0.7
89.02446	0.5
95.01379	0.5
101.02430	1.1
102.98595	100.0
103.98927	1.2
107.05034	8.0
113.02436	1.2
120.99660	4.8
123.02741	1.4
125.09701	3.8
141.03760	2.2
162.02315	1.6
163.00734	4.9
163.03932	0.6
175.07677	0.6
178.06381	0.5
193.08714	0.5
209.10062	0.8
223.11644	2.5
233.15546	0.5
267.14240	4.1
269.15863	0.5
284.71631	0.4
341.82581	0.4
355.15869	1.0
397.17352	0.9
397.22311	0.7
398.20123	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1693
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	0.3
58.99606	17.1
59.01381	3.4
71.01382	1.2
71.05018	0.9
72.99319	0.3
73.98325	0.5
74.99094	2.5
85.02949	0.8
87.00867	0.4
89.02458	0.6
95.01398	0.4
101.02458	0.7
102.98600	100.0
103.98989	1.4
104.98232	0.4
111.08163	1.0
113.02461	1.1
113.04314	1.2
120.99659	6.4
123.02792	0.3
123.08172	2.4
125.04284	0.9
125.09709	0.3
141.09187	0.4
153.07428	0.7
163.00706	6.4
163.60130	0.3
164.01094	0.4
165.07410	0.3
168.95552	0.3
237.13220	0.7
267.14279	5.3
268.14645	0.7
292.76987	0.3
355.15942	1.2
397.17014	2.2
397.22327	0.6
398.17734	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84349	0.9
55.01878	7.4
57.03457	6.0
58.00581	2.2
59.01380	48.0
61.98829	23.9
64.04397	0.9
66.66674	0.9
69.03459	6.1
70.55878	2.0
70.73994	1.0
71.01381	100.0
71.05012	1.5
72.01717	2.2
72.99310	5.3
73.02947	34.1
75.00879	2.4
82.61526	0.9
83.01386	18.3
85.02949	51.1
86.03236	1.6
87.00880	5.9
89.02447	20.4
93.03439	1.1
95.01385	7.2
97.02949	5.4
99.00889	16.5
101.02442	84.2
102.02760	2.0
109.02940	1.3
111.00873	2.6
111.04515	1.3
112.04021	1.5
113.02451	36.8
114.02790	1.3
115.03992	1.3
117.05598	1.3
119.03515	7.0
119.04993	1.8
121.46748	1.0
125.02404	4.5
129.01965	2.7
131.03496	2.1
136.01651	1.2
143.03497	5.1
143.04907	1.4
146.06117	4.7
147.03030	1.0
148.04048	4.4
149.04507	1.4
159.03017	7.4
159.04213	1.8
160.04053	2.0
161.04581	39.7
161.06039	6.6
162.04829	0.9
163.03944	1.1
164.42697	1.0
173.06068	1.2
174.05554	6.5
179.05598	3.0
185.00880	1.9
190.05069	2.4
191.01970	1.1
191.03455	2.7
191.07051	1.9
192.06656	4.6
205.03423	1.2
205.05064	12.6
218.04500	2.5
235.06116	24.2
235.11858	47.6
236.05638	16.3
236.12163	3.8
265.12912	6.4
279.09863	2.0
397.11652	3.9
397.17099	52.7
398.11093	7.4
398.17603	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	397.169
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99605	16.8
59.01378	2.7
59.99952	0.3
71.01371	0.9
71.05020	1.5
71.55410	0.4
73.01164	3.4
74.99100	2.7
85.02949	0.4
88.36480	0.2
89.02473	0.2
92.43683	0.3
99.02740	1.6
101.02472	0.7
102.98598	100.0
103.98929	1.1
113.02494	0.6
114.86800	0.2
120.99659	7.4
123.02757	1.7
125.09748	2.6
134.34970	0.3
149.09741	0.7
161.09666	0.4
163.00705	7.1
163.02075	0.4
167.10828	0.4
195.08481	0.6
233.15405	0.8
234.10867	0.3
249.13199	0.9
267.14233	3.9
268.14450	0.5
337.14743	0.5
355.15952	0.8
397.16971	2.5
397.21759	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1689
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99604	17.0
59.01381	2.4
59.99920	0.2
69.42944	1.1
71.01381	0.5
71.05014	1.9
74.99103	2.1
85.02961	0.2
87.00940	0.2
89.02450	0.2
89.13480	0.2
98.20576	0.4
102.98597	100.0
103.98986	1.4
120.99654	6.7
123.02752	6.4
123.03419	0.1
123.03664	0.2
126.47120	0.2
135.08168	0.2
161.09732	1.1
163.00706	6.8
164.01025	0.3
175.82442	0.2
176.47627	0.2
180.06087	0.2
195.08545	1.6
209.44078	0.2
267.14087	2.3
268.14667	0.2
279.12479	0.2
342.69061	0.2
355.15924	0.6
383.17017	0.2
397.17007	1.9
398.17188	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1688
Annotation	Unknow
Peak:m/z	Relative Intensity
56.56836	1.6
58.99602	13.4
59.01377	8.7
61.98809	2.1
71.01376	7.4
71.05976	1.6
71.55632	2.4
73.02948	2.0
74.99088	1.9
85.02950	3.6
87.00856	1.7
89.02445	2.5
94.00285	1.6
101.02445	5.9
102.98598	100.0
113.02403	3.4
113.39279	1.5
120.99642	10.7
147.04588	2.5
161.04559	2.2
163.00711	9.1
262.77130	1.7
263.20758	1.8
266.99045	2.1
267.14227	75.3
268.14594	7.7
268.31958	1.9
295.09979	2.2
318.85202	1.5
355.15814	2.6
376.21140	1.6
387.06320	2.0
397.22229	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	395.1532
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07306	0.3
58.99607	16.5
59.01376	4.4
60.01700	0.4
70.64015	0.7
70.64359	0.5
71.01392	0.6
71.05019	0.7
74.71723	0.4
74.99109	1.8
77.58377	0.3
79.05543	0.4
81.90307	0.3
102.98598	100.0
103.98947	2.1
119.02881	0.3
120.86996	0.3
120.99663	4.0
125.09729	3.5
130.16084	0.4
139.02225	0.8
155.96542	0.3
163.00717	5.5
231.13872	0.8
265.12769	1.0
353.23328	0.3
395.16028	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.0775
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.9
59.01379	3.3
61.98822	0.7
69.30701	6.1
71.01382	53.9
72.01718	0.9
72.99302	4.3
83.01388	3.4
85.02945	0.7
87.00876	55.1
88.01227	0.9
93.03529	0.8
98.16978	0.6
99.00876	9.5
113.02460	1.3
115.00367	3.6
121.02955	100.0
122.03281	4.2
127.00384	7.5
132.90248	0.7
137.02469	0.8
141.74995	0.6
142.99860	11.8
144.00302	0.9
149.06038	3.8
178.77902	0.7
182.35794	0.8
184.24496	0.6
187.02493	0.8
193.08708	1.5
195.13449	0.7
203.30371	0.7
209.04535	21.6
231.05107	2.0
275.04199	3.0
397.07355	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.135
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	4.9
57.03443	5.1
58.00587	7.2
59.01381	100.0
61.98840	3.5
66.88323	1.7
68.99813	2.0
69.03448	6.8
71.01385	95.7
72.99306	9.5
73.02954	24.9
81.03451	5.6
83.01390	12.4
85.02954	21.0
87.00877	23.1
89.02448	83.8
89.03005	3.9
91.04005	3.4
93.03517	1.6
93.35783	1.6
95.01395	8.3
95.05006	1.6
97.02939	18.7
99.00887	6.5
101.02444	80.5
102.02766	2.0
103.03979	2.5
111.04516	5.1
113.02454	39.7
119.03498	23.8
121.02969	3.1
124.01694	2.6
125.02448	24.0
126.01370	1.6
129.01953	2.0
131.03464	3.5
133.05063	5.5
139.04010	4.3
143.03520	11.5
149.04616	2.4
161.04524	14.5
169.05022	3.7
179.05637	4.8
217.07161	5.1
221.06621	4.9
235.08218	24.6
253.09326	3.1
256.05878	2.1
260.42096	2.1
263.07553	2.4
280.34320	1.9
372.76132	1.9
379.12543	3.6
397.13504	79.8
398.13309	8.3
405.73615	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	397.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	3.4
57.03465	3.0
58.00592	5.2
59.01379	100.0
61.95612	1.3
68.99821	2.1
69.03448	6.0
71.01381	89.8
72.01719	1.6
72.99300	7.8
73.02948	20.5
75.00856	3.0
81.03455	3.5
83.01385	9.9
85.02950	21.7
87.00875	18.3
89.02441	73.9
90.02750	2.0
91.04008	1.5
92.44843	1.3
95.01384	7.1
96.13137	1.2
97.02952	17.2
99.00871	7.2
101.02444	72.4
102.02803	2.1
103.00389	1.3
103.04081	1.9
111.00823	1.5
111.04523	3.0
113.02456	34.3
115.04029	2.1
119.03501	24.7
120.03844	1.5
121.02956	2.1
124.01612	1.3
125.02449	19.9
131.03502	2.9
133.05083	3.6
139.04057	2.6
141.68817	1.3
143.03491	10.1
149.04623	1.9
149.08818	1.4
161.04576	11.6
169.05101	2.0
179.05595	4.8
185.04622	1.8
199.05997	1.5
217.07182	3.4
221.06700	5.5
235.08229	20.5
245.06607	1.8
263.07605	2.1
277.09329	2.9
305.08734	2.0
318.15268	1.5
323.09845	2.3
397.13528	68.4
398.13843	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	395.0621
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	1.9
58.54004	1.1
59.01381	100.0
60.01699	1.9
60.99311	6.9
61.98829	6.3
69.03449	1.7
69.41894	2.7
69.42300	5.4
70.71523	1.0
71.01380	11.4
71.05019	1.7
72.99294	1.0
73.02937	5.0
74.99087	1.0
75.00873	2.0
78.51739	1.2
85.02954	4.3
87.00889	2.4
87.04523	1.7
88.98810	54.8
89.02441	7.8
97.02939	2.7
99.04533	7.1
99.08171	2.3
100.97833	1.2
101.02435	6.2
103.00375	3.5
111.00826	1.1
113.02442	3.5
115.03996	4.3
115.07602	1.1
117.05552	3.9
119.03483	2.5
142.66914	1.0
143.03528	1.3
143.07112	1.9
148.60608	1.3
160.09743	1.8
161.04594	2.0
161.06105	2.0
161.08199	52.2
162.08527	1.7
179.07251	1.2
182.67155	1.1
202.06314	2.3
203.07335	2.1
203.09242	28.9
204.09595	2.0
215.12848	1.8
217.08739	2.8
274.80002	1.1
277.16638	1.6
278.05157	1.1
313.80869	1.4
335.17004	3.6
351.10770	3.3
394.17252	1.5
395.09641	9.3
395.18661	8.2
395.23285	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	395.1198
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56262	0.5
57.03444	2.1
57.62204	0.6
59.01381	100.0
60.01711	1.2
61.98839	2.9
69.17046	1.4
69.17451	4.6
71.01385	5.5
71.05041	0.9
72.99306	0.9
73.02964	1.8
75.00898	1.5
80.19618	0.6
83.01395	0.7
85.02972	2.0
87.00887	1.3
89.02460	3.9
97.06596	1.2
99.00912	0.9
99.04539	3.4
99.08179	2.1
101.02427	3.6
103.00407	1.1
109.02958	0.6
112.03989	0.6
113.02477	2.0
115.04008	2.4
115.07636	1.1
116.04267	0.6
117.05589	0.9
119.03535	1.4
122.06190	1.1
143.07153	1.5
147.02972	1.3
159.06682	0.8
161.04556	1.4
161.08192	19.9
161.09564	1.0
165.04025	3.2
174.05550	0.7
188.07237	0.7
202.12453	0.7
203.09251	20.5
204.09634	1.5
207.80240	0.7
215.12920	0.6
277.16714	1.8
293.12598	2.3
308.11465	0.9
335.17212	1.1
351.12961	0.8
372.08817	0.7
377.18134	0.6
395.10593	0.8
395.19125	4.5
395.22961	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.229
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16506	3.5
55.78764	3.1
59.01370	13.5
61.98829	100.0
69.73074	6.7
69.73463	19.4
93.82978	3.7
98.20619	4.1
118.38742	3.2
193.00560	3.6
235.11578	3.5
316.21912	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1322
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	7.1
59.01109	6.2
59.01383	100.0
61.98831	57.5
62.83230	4.5
69.94345	4.8
71.01392	42.3
71.55447	6.6
72.99299	6.8
73.02961	12.0
79.82348	4.9
80.05048	7.0
83.01367	5.5
85.02949	16.5
87.00877	11.4
89.02438	17.1
99.00875	7.7
101.02443	21.5
101.06085	10.0
113.02409	9.8
119.03452	5.5
120.99595	4.9
122.06123	6.2
134.03773	7.4
143.15883	4.5
149.05992	5.7
159.03003	5.4
160.51791	4.4
161.04591	11.9
167.03459	6.6
168.03799	6.2
196.84547	5.0
249.35370	5.1
261.13394	43.1
296.95203	5.0
352.44925	4.9
375.11749	6.1
393.12985	32.7
393.17371	20.4
393.25214	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	393.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07429	1.0
53.61343	0.9
55.01887	1.4
57.03443	1.6
58.00588	2.7
59.01381	81.8
71.01385	54.6
71.55202	1.8
72.01705	1.1
72.99300	4.8
73.02950	14.5
75.00874	4.0
83.01385	1.5
83.96159	0.9
85.02943	7.5
87.00876	2.6
89.02447	100.0
90.02803	2.1
95.01385	2.4
97.02957	1.1
99.00886	22.3
101.02444	30.7
109.33765	1.0
113.02451	15.2
119.03510	14.6
119.82795	1.1
125.02438	3.7
126.51343	1.1
131.03503	12.2
143.03535	2.8
149.04561	43.2
150.04910	1.6
161.04514	4.6
163.03986	1.9
179.05652	6.0
191.05637	9.9
221.06749	1.6
237.06079	2.8
251.07776	3.1
351.14737	1.5
393.17493	17.1
393.25195	2.2
394.17886	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	393.213
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01716	1.6
60.46035	0.5
69.49331	3.4
70.09349	0.5
71.01374	0.7
78.85690	0.5
80.08781	0.5
98.19897	1.1
100.83865	0.6
101.02442	0.5
102.98619	1.0
115.00399	0.6
147.03169	0.5
300.03751	0.7
419.81171	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2777
Annotation	Unknow
Peak:m/z	Relative Intensity
70.95733	37.0
74.33642	29.3
96.95985	100.0
168.40118	39.6
352.22681	27.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
57.58348	0.5
59.01381	15.8
61.98830	100.0
69.03474	0.5
71.01378	4.7
71.05034	0.7
72.99333	0.6
73.02956	1.8
85.02960	1.4
87.00890	1.3
88.98801	0.9
89.02450	2.5
101.02458	3.3
108.04554	1.0
111.04489	0.5
113.02444	1.8
119.03525	0.8
121.02984	0.5
147.06584	0.5
149.02435	1.3
149.06151	0.7
150.02843	0.6
151.03938	0.8
161.04611	1.5
161.08261	2.5
165.05551	0.6
166.06116	0.7
176.04700	0.8
182.05724	0.5
190.91933	0.5
196.06163	1.3
203.09299	1.4
299.40677	0.5
302.11157	0.6
335.17130	1.3
346.13870	0.6
359.12585	0.8
394.12698	0.7
394.17606	1.7
395.10223	0.5
395.15375	1.5
395.19482	0.8
395.23492	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.0
57.03445	1.8
58.00589	1.7
59.01381	54.9
60.01696	1.2
61.98834	10.4
71.01382	43.9
71.04987	1.2
71.54993	1.1
72.01734	1.2
72.99317	4.1
73.02936	4.6
75.00881	2.1
81.03442	1.5
83.01388	2.6
84.08202	0.8
85.02938	7.8
85.06587	12.6
87.00867	2.4
88.04056	5.8
88.98795	0.9
89.02447	18.7
90.51357	0.8
93.03438	1.1
95.01376	2.9
99.00874	1.2
99.04523	2.8
101.02438	13.9
101.06085	2.1
111.00923	0.9
113.02457	9.2
113.06078	2.2
116.03514	1.0
116.07159	2.1
119.03512	8.4
119.05049	1.2
120.99544	1.0
121.02975	6.1
122.03299	2.4
125.02470	1.2
127.07622	0.8
130.08760	1.3
136.01668	1.2
138.05615	1.5
139.00322	0.9
142.08722	3.0
143.03484	1.0
146.08260	0.8
149.04550	0.9
150.03168	1.7
151.03729	2.3
153.05598	1.2
160.09798	46.7
161.04535	2.7
161.08182	4.4
161.10172	1.6
165.05562	3.1
166.05859	1.1
179.05629	1.2
181.05060	1.2
182.05363	1.4
195.06670	1.6
196.06938	2.0
203.09314	1.9
214.11464	1.2
215.12852	2.8
275.12473	0.8
277.16507	1.6
302.10995	1.3
306.66986	0.8
322.14972	7.0
334.19547	1.1
335.16922	1.2
352.20602	1.7
376.16119	3.1
394.17181	100.0
395.09903	2.2
395.18469	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	391.21
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	71.5
61.98825	13.1
62.38746	4.3
69.03439	10.8
69.44056	13.7
69.44482	21.5
78.04840	4.1
98.20647	9.0
99.92566	9.7
119.08665	20.8
137.09702	23.6
139.11308	7.2
163.99472	4.1
169.59419	5.6
171.10257	58.8
184.67012	4.5
185.11813	14.0
193.08472	5.7
207.09988	100.0
208.10435	9.4
287.41092	5.1
291.19641	16.6
309.20673	78.8
310.21005	11.8
313.17847	65.2
314.18079	7.4
325.30356	4.7
391.20731	9.7
391.25143	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	391.2702
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48879	0.2
55.01881	0.2
56.08747	0.3
57.03446	1.2
58.00574	0.5
59.01381	5.0
61.64550	0.2
62.79691	0.2
69.03445	0.3
71.01382	2.3
71.05023	0.6
71.55739	0.2
71.56119	0.3
72.99307	0.3
73.02945	2.2
79.94874	0.2
83.05032	0.5
85.02946	1.1
85.06589	0.3
87.00866	0.3
87.04521	4.7
89.02434	0.8
93.47250	0.2
97.02951	0.2
97.06593	0.7
99.00885	0.3
99.04487	0.3
99.08133	0.3
101.02422	1.2
102.98589	0.9
106.46500	0.2
109.06626	0.4
111.00863	0.3
111.08162	0.3
113.02460	0.9
119.03458	0.3
121.02967	1.9
123.04523	0.6
123.08150	0.5
125.02429	0.6
125.06120	0.3
125.09740	1.6
127.00375	0.3
127.11291	0.6
131.12764	0.2
137.09746	0.6
139.07710	0.3
141.09225	0.3
141.12830	0.3
143.10776	0.9
147.06700	1.4
151.11275	0.3
153.09216	0.5
155.10756	0.7
157.12341	0.9
161.04604	0.3
166.99858	0.3
167.10686	0.3
169.12337	1.0
171.10278	2.8
185.11769	1.2
201.11282	2.2
215.12871	1.2
237.18614	0.4
243.16011	0.7
255.19685	0.5
261.15256	0.3
273.20697	1.0
283.19266	0.5
285.20715	1.0
301.20099	1.7
315.21741	0.3
325.24008	0.4
327.21768	0.8
329.23148	0.4
331.17792	0.4
343.21317	0.3
343.24951	0.9
345.22821	5.6
346.23068	0.9
349.18576	1.1
355.24829	1.2
357.22781	0.5
359.24405	1.1
371.24274	1.1
373.25934	6.1
374.26215	0.8
389.25452	2.0
391.26990	100.0
392.27344	14.6
398.47461	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.0835
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	7.1
61.98830	100.0
62.06361	0.6
62.54578	0.5
64.95262	1.2
69.03478	0.7
69.29520	4.1
71.01382	3.2
73.02945	0.6
74.99107	0.5
79.93968	8.6
81.03442	1.0
82.81945	0.5
83.01389	1.0
85.02986	1.0
87.00861	0.7
89.02441	1.3
95.05078	0.5
101.02451	0.9
101.06071	1.0
113.02452	1.2
120.99576	0.6
121.02959	1.2
123.04526	9.6
125.02465	0.9
128.07236	0.5
136.99165	0.6
149.06239	0.5
150.05589	0.6
161.37160	0.6
167.03488	32.1
168.03889	1.9
175.00359	0.6
181.05040	1.0
191.01810	0.7
191.03487	10.1
192.03070	0.7
194.04526	0.7
209.04584	2.8
221.04649	1.0
237.67612	0.6
239.05359	0.6
272.64063	0.5
289.02997	0.5
302.14401	0.8
329.08746	14.6
329.12466	1.1
330.09067	1.1
350.11096	1.9
392.07376	0.7
392.12256	1.0
392.20016	0.8
393.17245	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.0834
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	0.3
59.01379	5.0
61.98831	100.0
65.37730	0.3
69.61431	2.1
71.01393	2.1
71.05014	0.3
72.99318	0.5
73.02956	0.9
83.01395	0.4
85.02967	1.1
87.00858	0.7
89.02454	0.7
94.15134	0.3
95.01453	0.4
101.02421	1.5
101.06045	0.4
102.98597	0.4
107.05043	0.5
113.02464	0.9
116.54634	0.4
119.03604	0.3
121.02946	0.5
123.04504	1.4
125.02480	0.6
135.04510	0.9
149.02370	0.3
151.03969	0.4
165.05598	0.4
167.03482	5.4
181.05130	0.5
195.06682	0.6
198.03748	0.3
209.04643	0.4
244.09250	0.3
245.17720	0.3
329.08768	0.6
333.19275	0.8
348.17441	0.7
351.20166	0.3
392.16455	3.4
393.12454	0.6
393.17358	1.4
393.21558	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79393	0.6
55.01872	3.0
57.03461	2.4
58.00568	0.8
58.70446	0.7
59.01380	100.0
59.18625	0.6
60.01709	1.5
61.25012	0.6
68.99834	1.9
69.03465	3.4
69.30056	1.3
69.30460	4.7
71.01380	18.2
71.05020	1.1
72.01725	0.9
72.99308	3.2
73.02953	10.2
74.02436	0.6
74.99096	0.6
75.00866	1.1
79.01867	0.7
81.03475	1.7
83.01390	7.1
83.05030	1.3
85.02953	11.5
87.00887	3.6
87.04526	1.4
89.02445	7.2
93.03439	1.3
95.01360	3.3
95.05048	1.0
97.02975	2.6
97.06586	1.9
97.23766	0.6
99.00880	7.4
101.02440	12.7
106.06650	3.4
109.02969	2.7
111.00867	9.3
111.04544	2.5
113.02458	9.4
115.00369	0.9
119.03520	3.6
120.99676	1.2
121.02962	46.2
122.03331	1.9
123.00919	2.3
123.04554	1.0
123.08262	0.8
125.02446	4.0
125.09739	0.8
127.00368	1.1
129.01974	0.9
131.03586	0.8
135.98422	1.6
136.99144	0.9
137.02518	2.1
137.99712	0.9
139.00375	5.8
139.04013	1.8
141.01968	1.8
142.49840	0.7
143.03477	1.1
143.10799	1.1
149.02466	0.8
150.05641	3.6
151.04045	1.2
153.01956	2.2
154.06236	0.9
154.99879	1.0
157.01433	1.2
157.08688	0.8
159.02975	0.7
161.04536	5.8
164.07170	1.4
165.01965	2.1
165.05669	0.7
166.99841	4.2
168.00537	1.0
169.01453	1.0
169.12369	1.3
179.05638	1.8
181.01443	0.9
187.09743	1.5
193.05067	0.6
199.13412	1.0
209.01041	0.8
211.02534	1.9
231.16086	1.2
243.12341	2.0
261.15451	0.9
269.03094	1.6
269.17569	0.8
273.17239	0.9
303.16168	0.7
331.17630	3.7
333.06174	1.0
349.18719	4.6
350.19312	0.9
356.10126	1.0
391.06656	12.2
391.19604	6.7
391.27316	11.3
392.07227	1.9
392.19681	0.9
392.27478	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2099
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
61.98820	11.3
69.03438	10.4
70.01031	25.2
78.55897	4.8
79.69079	5.4
83.05047	7.3
85.03007	5.3
87.00835	6.7
95.38779	6.0
98.01454	6.0
98.20600	6.0
109.02974	4.9
119.08679	15.1
125.09772	9.1
127.00354	8.9
137.09712	47.9
171.10268	88.6
185.11835	24.0
193.08421	19.3
197.11775	6.9
201.11299	8.0
207.10039	85.8
245.19104	7.9
291.19681	37.6
309.20694	78.9
310.20880	6.8
313.17804	87.3
314.18268	11.0
354.52856	5.7
391.20160	13.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
59.63278	0.5
60.01712	1.3
64.73241	0.6
69.58440	3.8
71.01399	1.4
73.02956	0.9
74.34739	0.5
77.37479	0.6
83.01380	0.8
85.02963	0.9
89.02398	0.7
92.28596	0.6
98.20634	0.7
101.02418	1.1
113.02478	0.9
121.02966	1.9
242.34636	0.7
261.13528	0.7
392.20703	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16670	0.8
53.72746	0.6
55.01884	3.3
55.17436	0.7
57.03450	2.4
59.01380	100.0
60.01715	1.6
65.27406	0.7
67.01914	1.2
68.99834	1.9
69.03455	2.5
69.28926	5.9
69.29336	1.6
71.01380	20.3
72.99317	2.7
73.02955	8.9
74.99090	0.9
75.00874	1.0
81.03460	2.1
83.01376	8.9
83.05022	1.7
85.02950	11.5
87.00887	2.9
87.04560	1.0
89.02444	8.6
93.03468	2.4
95.01403	3.4
97.02941	3.7
98.20589	1.7
99.00882	5.6
100.09716	0.8
101.02449	12.9
106.06644	2.5
107.05020	0.7
108.02217	1.0
109.02972	2.7
111.00882	9.1
111.04540	2.6
113.02441	10.0
115.00274	0.7
119.03511	3.3
119.04931	0.9
121.02954	48.3
122.03249	1.7
123.00920	3.4
123.04486	1.8
125.02431	3.5
127.00389	0.9
129.01947	1.1
129.09235	0.8
133.35806	0.7
135.98384	1.7
136.99190	1.2
137.02422	3.9
139.00377	6.1
139.04045	1.5
141.01956	1.3
150.05617	3.7
151.03998	0.8
153.01961	2.4
154.99831	0.9
157.01390	0.8
157.08676	0.8
161.04575	4.7
165.01956	2.2
166.99849	5.4
169.01456	1.7
169.12408	0.9
179.05644	1.8
181.01509	1.3
187.09772	1.4
205.03548	0.7
211.02501	1.5
212.89407	0.7
230.11580	0.7
231.15944	1.0
243.12419	1.9
261.15421	1.0
269.03146	1.7
284.01120	0.8
303.16791	1.0
331.17731	4.2
331.21167	0.9
333.42963	0.8
344.86664	0.8
349.18628	5.6
349.22464	1.4
353.45737	0.9
356.09692	1.6
391.06601	11.7
391.10724	1.2
391.19519	7.2
391.22830	1.4
391.24194	1.5
391.27509	8.1
392.07138	1.6
392.19769	0.9
392.27600	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	6.5
57.03426	4.5
58.00591	2.8
59.01379	61.5
60.01683	1.4
65.43840	1.1
71.01382	52.5
71.48275	1.0
72.99303	4.2
73.02950	21.6
74.99072	1.5
75.00862	2.5
79.86002	1.3
83.00997	1.3
83.01389	15.4
85.02953	30.1
86.00092	2.1
87.00858	4.5
89.02447	10.2
95.01379	5.1
99.00853	8.4
101.02443	50.8
111.00857	2.7
113.01721	1.7
113.02451	25.7
119.03475	2.2
120.99717	1.5
133.18454	1.2
135.04437	1.4
143.03465	2.0
147.63058	1.1
158.63661	1.3
159.02939	1.8
161.04510	7.4
168.06779	1.2
187.13371	2.0
214.29646	1.2
228.98201	1.5
229.10754	1.7
303.18008	2.0
331.17596	3.0
347.17081	95.9
348.17377	10.6
349.18478	3.8
361.09146	1.6
373.14938	2.0
391.15988	100.0
392.16431	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	391.161
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	4.0
55.49844	0.8
57.03433	2.7
58.00587	1.4
59.01382	39.1
61.98836	5.8
68.31069	0.8
68.66588	0.8
69.03441	2.4
71.01382	30.7
72.99290	2.9
73.02950	11.3
74.99095	1.8
75.00882	0.9
83.01395	7.3
84.02129	1.1
85.02952	17.3
86.00079	1.5
87.00875	2.4
89.02461	6.7
94.42126	0.9
95.01382	3.5
98.20683	1.5
99.00893	4.0
101.01794	1.5
101.02444	28.3
102.02780	0.9
102.98587	1.3
105.51149	0.8
110.87498	0.7
111.00805	1.1
113.02452	29.6
113.06051	0.9
119.03513	1.1
125.02396	1.0
136.99078	1.2
148.04047	0.9
154.28307	0.8
159.02963	1.2
161.04587	4.4
167.10747	1.2
184.06087	1.4
185.11809	1.1
185.94594	0.8
211.09737	0.9
241.06044	1.1
252.42130	0.8
261.39334	0.8
267.11337	2.7
277.12814	1.6
285.12384	2.5
297.08704	2.6
315.09836	1.3
329.11362	2.4
331.17706	1.7
347.17099	33.8
348.17468	4.2
349.18613	1.0
373.10620	1.3
373.15179	2.3
391.16022	100.0
392.16302	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	391.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20417	0.4
57.03467	0.7
59.01380	100.0
60.01737	0.9
69.42441	0.5
70.69971	0.6
70.70303	1.1
71.01389	1.9
72.99329	0.5
73.02956	1.0
87.00913	0.5
89.02435	0.8
101.02465	1.5
113.02473	0.6
130.08757	0.9
144.99107	0.5
197.29079	0.5
261.13391	1.1
278.25012	0.5
391.27383	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
54.48638	0.9
57.03450	1.5
59.01379	100.0
60.01711	2.1
69.41824	6.2
69.42246	2.0
71.01385	10.6
72.99303	1.2
73.02942	4.1
74.99113	1.4
83.01399	2.0
85.02949	3.6
87.00902	1.5
87.04530	1.1
89.02438	10.1
89.43402	0.9
94.19780	1.1
95.01401	1.2
97.01190	1.6
99.00848	2.3
99.04528	1.1
101.02442	9.0
101.06032	1.0
109.06628	0.9
113.02483	4.7
119.03500	4.3
120.99669	1.4
121.02932	1.2
135.04491	0.9
135.98322	2.2
137.02477	1.5
157.08636	1.4
161.04608	2.0
193.04816	1.0
204.06758	1.1
215.08287	1.2
217.14420	1.5
249.06094	1.2
273.16928	1.8
331.17538	2.4
349.22247	3.6
350.23059	1.0
391.06781	1.3
391.14526	1.1
391.19147	3.5
391.23309	5.5
391.27182	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	391.125
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98469	2.1
57.03428	2.8
58.00597	2.3
59.01105	3.6
59.01379	46.9
59.69488	2.0
61.98832	100.0
67.01887	3.4
68.99812	5.3
69.03459	12.7
70.77493	5.1
70.77834	2.3
71.01377	29.3
72.99300	7.3
73.02943	5.7
74.13641	2.0
74.99088	6.2
75.00883	10.6
81.03458	2.2
83.01378	3.9
85.02953	15.4
86.60567	2.5
87.00865	19.5
89.02445	13.8
91.00906	2.1
91.61941	2.0
95.01387	5.2
96.96001	2.4
97.02946	27.3
99.00876	10.5
101.02430	13.2
109.02975	4.6
110.00089	2.4
111.00862	7.8
113.02461	19.0
119.03513	4.2
123.00908	2.7
123.04512	3.3
125.02379	2.5
127.00380	22.4
129.01939	4.0
135.04642	2.4
135.98357	2.4
139.00380	11.6
139.03970	2.1
141.00183	3.5
141.01956	18.5
149.02388	3.5
153.01936	60.5
154.02704	12.5
157.01399	9.1
161.04556	7.3
167.03476	7.7
167.10754	2.1
168.04263	32.2
169.01291	2.6
169.05099	14.1
175.02460	6.2
178.65445	2.6
183.83038	2.6
190.91463	1.9
192.47328	2.5
199.02437	5.7
201.36903	2.4
229.03473	5.2
229.07126	4.9
233.90298	2.2
249.06108	45.6
267.61783	2.4
273.11490	2.3
287.04099	8.0
305.05093	6.0
331.10300	20.0
384.18387	2.3
391.08475	19.1
391.16217	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	391.0672
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42545	0.7
55.01877	5.7
57.03445	4.2
58.00586	1.6
58.99584	1.3
59.01381	35.0
63.96235	2.9
65.03958	1.3
67.01886	2.3
68.99813	4.0
69.03458	3.5
69.71954	2.8
71.01382	30.0
71.05000	1.1
72.99307	6.8
73.02949	11.0
74.99095	1.1
75.00870	1.8
79.01901	0.9
81.03468	5.8
83.01389	13.3
83.05023	2.3
84.01638	0.8
85.02953	22.5
86.03271	0.8
87.00874	3.3
87.04514	2.6
89.02444	9.9
93.03466	5.6
95.01394	7.0
95.05025	2.7
96.00903	1.8
97.02948	7.0
98.02467	1.2
99.00878	9.3
99.04541	1.4
101.02440	19.2
102.98615	1.3
103.00365	1.3
107.05032	2.4
108.02165	1.9
109.02968	6.4
111.00880	19.9
111.04520	6.3
112.98765	0.9
113.02454	13.9
113.03590	1.0
117.01914	0.8
117.97340	1.6
119.03522	4.5
119.05030	1.5
121.02956	100.0
122.03315	3.1
122.03842	0.7
123.00890	5.1
123.04534	8.0
124.01639	0.9
125.02477	5.7
125.09711	0.8
127.00382	1.8
129.01974	1.4
130.08737	1.6
133.02887	1.1
135.00887	1.4
135.04590	1.1
135.98372	9.0
136.01686	1.2
137.02440	4.2
137.06062	1.2
137.99617	1.7
139.00377	12.3
139.04050	3.9
141.01945	3.8
143.03497	1.6
147.04515	1.7
147.06638	3.6
149.02409	1.5
149.06137	1.0
151.00352	2.3
151.04060	2.0
153.01929	5.3
154.99843	1.6
157.01459	1.8
159.02992	1.6
161.04550	7.1
163.07704	0.9
165.01936	4.0
166.99857	11.4
167.03482	3.0
168.00461	0.9
169.01399	3.6
171.10266	1.2
176.04471	1.1
178.99786	1.1
181.01381	2.8
183.02988	1.8
187.09824	2.2
190.06328	0.9
191.07066	0.9
192.07837	0.9
193.01451	1.6
197.00877	1.5
206.08925	0.8
209.00981	0.9
210.07500	1.0
211.02510	4.8
211.13408	4.7
214.01228	1.3
226.01016	1.7
229.08665	7.6
230.08948	0.9
261.15329	2.0
269.03036	4.7
301.10596	1.0
317.23975	0.9
331.11786	2.2
331.17700	1.6
333.06125	1.4
345.22809	1.4
349.12976	3.6
349.18777	1.9
357.14542	5.1
373.12939	3.1
373.25995	2.5
374.17163	1.8
391.06693	29.1
391.13260	5.7
391.18848	3.2
391.23254	8.1
391.27069	33.6
392.07086	3.6
392.18814	1.7
392.27252	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2908
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01107	9.0
59.01381	100.0
69.95529	38.3
85.19918	8.9
99.90811	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	389.2909
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32212	3.4
59.01379	100.0
60.01719	3.5
61.98833	3.8
71.01405	3.7
76.99667	2.7
113.18089	3.1
128.93147	3.0
152.07379	2.8
174.36603	3.4
219.59352	3.0
277.15231	2.8
389.30704	15.4
413.06546	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	390.1041
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	3.2
58.00592	2.1
59.01377	46.2
60.01727	2.2
61.98829	100.0
69.03470	1.9
71.01379	39.1
71.54179	2.9
72.01729	3.2
72.99290	4.3
73.02940	9.0
74.99078	2.3
75.00867	5.2
75.23853	1.5
80.47983	1.6
83.01376	4.7
85.02946	14.2
85.92580	1.6
86.03278	1.9
87.00869	6.7
89.02435	17.2
90.02724	1.7
95.01358	2.0
97.06612	1.9
99.00874	2.5
101.02435	24.8
102.02774	5.7
109.02897	2.2
111.04520	3.4
111.08168	2.2
113.02434	13.5
114.02758	4.1
114.54431	1.6
119.03482	6.6
128.03375	2.3
135.02945	2.3
137.02432	18.5
137.06085	5.3
138.02728	12.6
143.03473	2.1
152.04765	9.1
153.05154	5.0
161.04549	5.7
165.05493	2.4
168.07466	2.1
175.02383	1.9
179.03358	2.6
180.03848	2.8
184.03745	3.5
185.04176	2.8
194.05522	1.7
209.08188	6.0
210.08530	4.0
212.06877	7.4
213.07211	10.0
225.38261	1.7
227.09244	20.9
228.09592	37.2
229.09715	1.9
273.09857	2.9
328.97354	2.7
330.99124	2.0
346.15659	2.4
347.16968	3.2
349.18646	3.0
390.14835	45.1
391.15784	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	390.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
56.67168	5.7
61.98833	100.0
89.20429	6.6
212.54874	7.0
280.07779	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.0672
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36272	1.0
55.01881	5.7
57.03440	3.3
59.01382	87.2
61.05813	1.1
65.03966	1.9
67.01886	2.2
68.99815	3.8
69.03458	4.6
69.18994	11.2
71.01380	23.5
72.90892	1.0
72.99304	4.2
73.02954	9.0
75.00881	1.8
76.27699	1.1
79.01910	1.3
81.03461	3.1
83.01387	15.5
83.05015	2.6
85.02951	18.2
87.00867	4.7
87.04520	3.0
89.02444	10.5
93.03446	3.7
95.01407	5.8
95.05019	3.5
96.99317	1.4
97.02956	6.4
97.06605	1.9
99.00887	12.2
101.02444	14.8
105.03477	1.5
105.48373	1.0
106.06643	6.2
106.12794	1.2
107.05022	1.4
108.02167	1.2
109.02937	5.0
111.00886	22.9
111.04510	4.8
113.02460	13.2
114.94726	1.0
115.00363	1.8
117.01976	1.7
119.03503	2.5
119.05106	1.0
120.99651	1.9
121.02959	100.0
122.03293	4.0
123.00918	5.6
123.04523	2.6
123.08142	1.6
124.07720	1.2
124.98873	1.9
125.02454	9.1
125.09728	2.3
127.00366	3.1
129.01974	3.0
135.98352	2.4
136.01649	1.7
137.02460	4.3
137.99620	1.4
139.00395	12.5
139.04016	3.0
141.01935	3.9
142.93578	1.2
147.04538	1.2
150.05588	3.9
151.00403	1.3
151.03998	2.1
153.01941	5.0
154.99861	2.4
157.01367	2.7
159.03021	1.2
161.04607	3.4
165.01944	3.7
165.05759	1.5
166.59343	1.3
166.99855	11.3
167.03522	1.5
169.01430	3.7
171.10229	1.5
178.99823	1.3
179.05553	1.5
181.01463	3.4
183.03027	2.6
185.11766	1.5
187.09769	3.2
193.01471	2.1
209.00861	1.5
211.02393	4.5
211.13342	1.7
214.01157	1.2
217.14467	1.3
229.14430	1.3
243.12408	1.8
269.03030	2.1
273.17230	2.0
311.15109	1.5
331.17584	3.5
333.06027	2.9
334.36160	1.1
349.18295	3.9
349.22324	2.3
356.09821	1.7
372.96503	1.2
373.25974	1.8
391.06711	29.2
391.19385	13.0
391.27322	26.0
392.06921	3.7
392.19739	1.5
392.27490	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	389.2466
Annotation	Unknow
Peak:m/z	Relative Intensity
56.24172	22.9
59.01368	100.0
60.04801	23.0
61.98832	48.1
70.39954	71.8
71.01373	32.4
73.78464	23.2
84.56068	20.8
101.02419	26.4
109.69693	23.6
163.70799	24.3
340.08356	23.7
389.30814	45.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2466
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84983	28.6
59.01371	100.0
61.98847	64.1
67.54880	23.3
71.01377	57.3
71.55141	46.0
76.09030	27.1
101.02465	48.0
101.64812	24.0
116.85581	25.9
124.67602	25.7
146.02773	26.6
161.04546	32.3
178.92934	24.7
229.87390	28.0
389.30530	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	389.2546
Annotation	bhos#24
Peak:m/z	Relative Intensity
57.03438	1.3
59.01378	10.9
61.98831	1.0
69.03464	0.9
71.01388	4.0
71.05022	1.1
71.55146	0.3
71.55563	0.6
72.99313	0.8
73.01163	0.6
73.02947	3.5
74.99078	0.6
75.00873	0.4
75.23172	0.3
80.96534	0.4
83.01380	0.8
83.05025	0.7
83.71709	0.4
85.02959	2.2
85.06548	0.4
87.00897	0.8
87.02724	0.5
87.04520	3.7
87.99883	1.4
89.02459	1.9
89.08933	0.4
97.02955	0.7
97.06597	1.4
99.00886	0.7
99.04522	0.7
99.08144	1.4
101.02450	2.4
101.06079	0.5
102.98539	0.6
106.51956	0.4
109.06598	1.2
109.82208	0.4
111.04527	0.6
111.08172	0.8
113.02455	1.7
114.01450	0.8
115.00355	0.4
123.00870	0.5
123.08163	1.2
125.02383	0.6
125.09732	3.5
126.13477	0.4
127.07684	0.8
127.11222	0.5
129.09261	0.5
136.99115	0.7
137.09660	0.8
138.06863	0.6
139.07649	0.4
141.01958	0.5
141.09193	0.7
143.10780	1.2
147.04512	2.0
151.11270	0.6
153.09209	1.5
155.10783	0.8
161.04529	0.8
167.10747	0.4
171.08522	2.6
171.10263	7.6
172.10605	0.6
174.79024	0.4
183.10234	0.4
187.13345	0.6
201.11330	1.0
215.11046	2.0
215.12764	0.7
218.89104	0.4
225.14888	0.4
227.06866	0.5
227.12798	1.2
227.16454	0.8
241.18150	0.6
259.13721	18.2
260.14044	2.5
271.15466	0.5
271.19232	0.8
281.17767	0.5
301.20099	1.5
303.08301	0.4
311.09174	0.4
329.14313	2.0
329.23331	1.7
341.23224	0.6
343.21277	1.8
347.15326	2.9
347.24390	3.1
348.15842	0.6
359.24466	0.6
369.22931	0.5
371.24219	3.7
372.24719	0.6
387.23877	1.1
389.25439	100.0
390.25745	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	389.218
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	9.9
56.74179	0.6
57.03448	6.0
58.00583	3.7
58.99590	0.6
59.01379	69.8
60.01702	1.2
60.88211	0.6
61.29236	0.7
69.03454	1.6
69.42996	2.5
69.43422	2.3
71.01380	100.0
71.05005	1.0
72.01714	2.5
72.99308	4.6
73.02944	34.8
74.03269	0.9
74.99098	1.1
75.00873	2.4
81.03459	1.2
83.01385	15.7
85.02949	46.9
86.03300	1.5
87.00864	4.8
89.02444	21.8
90.02785	0.9
95.01398	7.4
97.02951	3.5
99.00875	12.9
99.04537	0.7
100.01253	0.8
101.02441	98.3
102.02763	3.7
111.00877	1.2
113.02452	39.7
113.06056	1.0
114.02798	1.2
119.03499	7.1
120.99670	1.9
122.06116	0.8
124.56712	0.7
125.02444	2.7
129.01988	2.1
131.03542	1.3
134.03757	2.1
135.03004	0.8
135.98380	1.5
136.99164	0.9
138.06845	2.1
139.07236	1.3
143.03505	5.5
147.11761	0.9
148.04129	1.3
149.02466	0.7
150.03217	2.7
151.11330	0.7
153.09198	4.8
154.09537	2.3
159.02980	9.0
161.04555	42.5
162.04945	1.3
164.03462	0.8
165.05579	3.0
174.01886	0.9
175.04070	0.7
179.05612	1.8
192.03069	2.8
193.05080	2.8
195.06688	1.0
195.13857	0.8
197.12083	0.7
205.03542	1.4
207.13924	1.0
208.67169	0.7
209.11858	1.1
214.47713	0.8
224.05690	1.4
225.14912	4.1
226.15324	2.9
227.13112	1.4
227.15683	3.6
228.79041	0.6
240.03723	0.7
253.14572	1.3
257.13101	1.9
271.15497	7.4
272.16269	0.8
282.08655	0.8
287.18637	1.2
327.13480	0.7
341.10336	0.9
385.19043	0.7
389.17517	3.7
389.21930	25.5
390.22430	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	10.5
57.03455	5.2
58.00591	2.7
58.99603	0.6
59.01380	56.2
60.01713	0.8
69.03456	1.1
69.21777	3.6
71.01381	63.8
72.01729	1.5
72.99302	3.7
73.02946	29.3
74.99103	1.5
75.00872	1.4
80.26796	0.4
83.01385	18.1
84.01692	0.4
84.02168	0.6
85.02951	35.3
86.03288	1.2
87.00883	4.3
89.02446	10.1
95.01385	4.9
97.02939	1.2
97.13753	0.3
98.19910	0.5
99.00882	10.2
99.04509	0.5
101.02442	100.0
102.02771	2.7
102.98590	3.7
103.04026	0.4
108.56996	0.3
111.00896	0.5
113.02450	27.4
114.02792	0.8
119.03499	1.7
125.02428	2.0
129.01912	0.6
131.03455	0.8
134.03694	0.5
135.04547	0.4
135.98299	0.5
136.99146	0.5
143.03502	3.6
145.02887	0.4
145.06178	0.6
147.04448	0.4
147.11790	0.4
159.02994	5.0
161.04553	27.8
162.04912	0.8
163.03979	0.7
165.05553	0.6
167.10628	0.5
174.03151	0.4
175.03947	1.8
176.04721	0.7
185.11845	0.4
190.06319	1.4
191.07068	1.1
191.14514	0.8
194.05919	0.4
205.08694	0.9
208.07498	0.8
209.11815	0.6
209.15582	0.6
227.16518	1.8
228.16805	0.5
271.15457	0.6
287.18521	1.3
371.13031	0.5
389.16138	3.1
389.21616	18.6
390.17456	0.5
390.21780	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	389.2181
Annotation	Sedumoside D
Peak:m/z	Relative Intensity
50.70551	0.5
52.13189	0.5
52.58833	0.6
55.01881	8.9
57.03449	6.3
58.00589	3.2
58.99588	1.6
59.01380	65.0
60.01711	0.7
69.03455	0.8
69.23055	2.8
69.23489	2.8
71.01383	74.5
72.01725	1.5
72.99305	3.0
73.02949	30.7
74.99100	0.8
75.00874	1.2
83.01383	17.4
84.01723	0.6
85.02952	40.6
87.00886	4.5
89.02450	12.5
95.01401	4.5
97.02948	1.4
99.00883	11.1
99.92588	1.1
101.02446	100.0
102.02779	2.7
102.98595	9.9
103.04041	0.6
113.02453	31.9
114.02750	0.7
115.92073	1.5
116.92857	4.1
119.03495	2.6
120.99658	2.3
125.02457	1.2
125.92815	0.6
129.01945	1.0
134.03798	3.4
135.98375	0.8
136.99179	0.8
143.03491	4.0
149.02423	1.7
149.06075	1.6
150.03223	4.9
153.09239	0.8
159.03001	6.9
161.04553	32.5
162.04880	1.8
165.05586	5.5
178.02693	1.5
191.14423	1.0
193.05087	4.5
195.06685	1.6
205.03503	0.7
206.04718	0.7
226.15331	0.9
227.16388	2.0
264.91064	0.6
271.15567	1.4
287.18661	2.2
341.10278	1.8
347.17166	0.8
389.13757	1.0
389.17743	2.1
389.21896	23.3
390.22174	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	389.218
Annotation	Sedumoside D
Peak:m/z	Relative Intensity
54.25480	0.4
55.01878	6.6
57.03447	6.1
58.00610	2.6
58.02911	0.4
58.99617	0.6
59.01377	59.4
60.01718	1.1
61.98830	0.9
67.01877	0.5
68.99828	0.5
69.03449	4.1
71.01380	100.0
71.05018	11.1
71.26542	0.9
72.01723	1.6
72.99307	4.4
73.02945	26.5
74.99093	2.6
75.00865	2.6
81.03477	0.8
81.46240	0.4
83.01384	11.0
83.05025	0.7
83.89024	0.4
84.02187	1.0
84.98791	0.4
85.02949	39.9
85.06610	0.4
86.03305	1.0
87.00875	5.0
89.02447	25.6
93.03456	0.5
95.01390	6.9
95.05051	0.8
95.21726	0.4
97.02936	2.9
97.06592	1.4
98.03742	3.1
99.00880	12.2
99.04503	0.7
101.02440	57.3
101.06080	1.5
102.02767	1.6
102.98594	1.1
109.06596	1.6
111.00873	1.3
113.02448	41.8
113.06034	0.7
114.02786	1.1
115.04010	0.5
115.04818	0.4
115.07626	0.8
117.01936	0.5
119.03500	9.6
119.04923	0.6
120.08898	0.4
120.99635	2.0
121.02929	1.5
122.03749	0.5
123.08172	1.5
124.05299	2.8
125.02422	2.5
125.09772	0.5
127.07721	0.9
128.32669	0.4
129.01939	1.6
129.05569	0.6
131.03519	1.2
133.10233	0.6
134.03748	3.1
135.03029	1.1
135.04536	0.5
135.98376	1.1
136.99168	2.3
137.02449	1.0
137.09732	4.2
138.06862	1.4
139.07649	10.3
139.11313	0.6
140.07985	0.5
141.01938	0.7
141.09256	0.7
143.03499	4.4
147.04521	0.5
149.02441	2.0
149.04539	0.9
149.06036	0.6
150.03239	4.8
152.01106	0.5
153.09198	6.2
155.10774	40.0
156.11101	2.4
159.02988	8.1
161.04549	36.7
161.06511	0.6
162.04874	1.7
165.01950	1.0
165.05531	4.4
165.12880	1.0
167.10681	0.4
175.03981	0.7
178.02734	1.2
179.05629	2.1
180.04204	0.6
185.00890	1.2
191.07047	0.7
193.05038	4.2
195.06592	1.9
197.11838	0.7
199.09784	0.5
205.03503	0.5
208.00078	0.5
208.07465	0.6
209.11845	1.1
209.15419	1.0
223.05331	0.5
227.16518	65.4
228.16866	5.6
229.05959	0.4
241.10832	0.7
246.95969	0.5
259.13745	0.8
271.12210	0.8
271.15445	3.8
272.15668	0.6
313.08185	0.7
341.10205	1.7
389.07153	1.0
389.13052	0.5
389.17331	3.3
389.22070	7.1
390.17639	0.6
390.22052	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1818
Annotation	(-)-11-hydroxy-9,10-dihydrojasmonic acid 11-beta-D-glucoside
Peak:m/z	Relative Intensity
57.03447	1.4
59.01381	10.7
69.60088	3.5
71.01382	5.3
72.99320	0.6
73.02937	0.7
74.80733	0.5
83.01395	0.5
85.02965	2.1
87.00850	0.5
87.02753	3.6
89.02451	4.6
90.62393	0.5
95.01411	0.9
96.83035	0.5
97.86555	0.5
101.02435	3.8
111.08142	2.3
113.02449	5.6
114.01469	2.3
119.03510	1.6
125.09685	0.6
143.03395	0.7
143.10773	0.7
161.04576	0.8
165.12843	25.6
166.13211	1.8
177.29208	0.8
179.05606	0.8
181.12347	0.7
183.13893	85.5
184.14291	5.8
197.10222	2.6
197.15480	2.0
207.13899	1.9
209.11765	3.4
220.71065	0.7
225.14931	1.5
227.12878	100.0
228.13219	8.7
251.12830	3.9
258.99759	0.6
259.13727	11.7
260.13989	0.6
269.13947	1.7
293.13831	0.8
301.20193	0.8
329.14328	1.4
347.15259	1.1
347.24240	1.0
389.17719	1.7
389.25613	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	388.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	31.8
61.98830	100.0
71.01402	13.2
71.55132	7.5
83.01384	5.5
85.02943	7.4
89.02448	6.5
93.03458	5.2
96.96032	7.3
100.76009	5.0
101.02470	11.8
113.02411	5.6
121.22589	5.3
141.07031	5.1
147.04518	7.7
151.00362	20.1
264.56516	5.4
325.05597	8.7
356.29199	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	389.1453
Annotation	Reptoside
Peak:m/z	Relative Intensity
54.44398	1.4
55.01872	4.2
55.22176	1.4
57.03436	3.8
57.74917	1.3
58.00571	1.4
59.01378	50.4
61.98820	5.5
62.91706	1.4
69.88927	7.3
71.01008	2.8
71.01385	47.6
72.99314	3.2
73.02947	15.7
74.99109	1.4
75.00877	9.1
83.01385	7.4
85.02952	23.6
87.00878	6.9
88.70940	1.4
89.02451	18.1
91.89128	1.5
95.01394	4.0
97.02934	1.7
99.00880	5.6
101.02438	37.6
108.35498	1.3
109.02950	5.3
111.00890	1.7
113.02450	16.9
119.03478	5.2
131.03491	3.0
132.82272	1.4
133.72755	1.4
136.99138	2.1
137.02440	48.3
138.03264	3.2
143.03430	2.0
152.04802	23.0
153.05551	5.3
159.03018	3.5
161.04576	8.9
167.07114	3.9
178.02745	1.8
179.03450	7.7
179.05562	1.8
184.03770	5.9
194.05820	3.8
197.04558	3.3
209.08197	9.8
212.06894	30.2
213.07137	1.9
221.06506	2.0
225.77742	1.6
227.09245	100.0
228.09564	5.9
237.06136	8.7
345.15649	3.1
389.14493	69.7
390.14832	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	389.164
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	2.0
59.01104	1.4
59.01379	17.1
61.98824	1.2
71.01384	4.5
71.55361	1.4
72.99294	1.4
73.02959	1.8
85.02950	2.7
87.02737	39.9
88.03061	1.8
96.00388	3.2
97.01155	2.4
99.00867	1.4
101.02428	4.4
105.01922	8.5
113.02451	1.5
114.01452	18.4
123.46667	0.9
127.07626	5.3
130.52307	0.9
137.09631	0.9
143.10770	1.8
147.04523	1.6
165.12914	1.9
183.13818	1.8
197.10034	29.9
197.87352	1.1
198.10332	3.1
215.10983	2.0
223.11546	1.7
227.12921	4.5
227.16476	0.9
241.12654	5.1
259.13708	100.0
260.14026	9.0
301.10791	2.6
301.20166	2.7
329.14246	12.5
329.23264	1.9
347.15280	20.2
347.24475	4.7
348.15622	1.9
352.16632	1.0
360.03360	1.1
371.24390	1.4
389.16309	6.1
389.25491	12.1
390.25742	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.164
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28673	0.6
57.03430	1.9
58.99591	1.3
59.01118	0.5
59.01380	10.3
66.00913	0.7
67.46935	0.6
69.03442	0.9
71.01399	3.3
71.56078	0.9
73.02934	2.3
83.05011	1.2
85.02937	1.1
85.06592	0.7
87.02740	40.9
87.04509	0.8
89.02433	2.0
96.00397	3.5
97.01196	1.9
99.00859	1.2
99.02784	1.0
101.02425	2.8
102.98573	1.3
105.53465	0.6
108.97160	0.6
109.06579	1.0
111.08140	0.6
113.00632	1.2
113.02418	1.1
114.01447	15.2
119.03455	0.9
120.99641	2.3
123.08173	1.0
125.09686	1.2
127.03970	0.8
127.07664	5.1
137.04324	0.6
141.01929	0.6
143.10754	1.2
145.11276	0.6
147.04504	1.4
153.07462	0.8
153.50420	0.7
165.12930	0.9
171.10255	2.1
183.08276	1.0
197.10045	27.8
198.10381	2.6
201.11218	1.3
215.11061	1.9
215.12880	1.4
223.11583	1.7
227.07155	1.5
227.12868	1.1
233.43092	0.7
241.12645	5.3
259.13712	100.0
260.14032	8.6
271.15536	1.9
301.14777	0.8
301.20389	1.6
302.20212	0.6
329.14233	10.3
329.23251	1.5
330.14514	0.9
347.15341	18.6
347.19598	1.0
347.24338	2.1
348.15558	2.2
359.24057	1.1
371.24371	2.1
389.16629	7.2
389.25461	22.5
390.17001	0.8
390.25830	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	388.0883
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10014	1.8
54.58536	2.0
55.12495	1.9
59.01388	21.2
59.60297	1.9
61.77668	1.9
61.98830	100.0
62.00420	1.9
69.03442	2.5
69.28790	1.9
71.01390	16.3
72.99283	3.5
73.02931	5.5
74.99116	3.4
75.00858	2.4
75.70761	2.0
85.02953	6.6
87.00858	3.1
89.02420	9.0
95.01398	2.9
99.00884	2.7
101.02457	9.7
102.98532	2.3
113.02451	6.5
119.03499	5.1
120.99660	5.3
125.02356	2.4
135.03006	2.3
136.99118	6.1
150.03227	2.4
161.04593	4.9
161.09685	2.5
165.05470	3.9
165.09181	6.3
166.02890	1.9
191.07220	2.0
193.05061	2.4
209.11794	7.1
217.68883	2.3
253.10899	10.2
343.13889	3.8
345.15314	4.7
389.14230	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	387.2307
Annotation	Unknow
Peak:m/z	Relative Intensity
57.09269	19.9
58.89157	21.2
59.01371	92.1
61.98834	100.0
67.65804	19.1
71.01384	30.7
75.22631	25.3
83.77888	18.9
103.73858	18.2
121.80252	20.8
151.00351	31.4
225.14989	25.3
251.25783	20.1
252.77998	22.5
260.83801	20.0
265.36465	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	388.0886
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	5.9
59.36740	1.4
61.10243	1.2
61.74282	1.2
61.92381	1.0
61.98830	100.0
71.01377	4.3
71.13222	2.5
73.14986	1.0
75.00867	4.0
85.02956	1.5
89.02435	1.5
97.31213	1.0
101.02444	2.4
105.08809	1.0
108.53708	1.0
111.00800	1.1
153.05574	2.8
182.08308	1.3
227.09084	2.0
237.06204	4.4
282.24152	1.4
296.57703	1.2
389.14346	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	388.0885
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.7
56.15455	0.6
57.03438	2.5
58.00608	0.6
58.03774	0.9
59.01379	32.5
60.01719	1.3
61.98829	100.0
69.03460	1.8
71.01382	14.1
71.05047	1.1
72.01728	1.6
72.99319	2.0
73.02940	4.0
74.99099	2.1
83.01389	1.7
83.05055	1.1
85.02948	6.8
86.03302	1.0
87.00871	1.4
89.02447	3.4
93.03477	0.7
95.01401	1.3
97.02991	0.8
99.00900	2.0
99.97551	0.6
101.02442	4.2
101.06119	0.5
104.07108	0.6
109.02961	4.3
110.01947	0.7
113.02458	6.8
114.02791	2.4
119.03549	0.8
120.99680	2.8
122.00060	0.6
123.00822	0.7
123.08186	1.1
125.02461	4.7
126.02802	2.3
134.03754	1.5
135.03000	0.6
135.98389	0.8
136.04047	1.2
136.99188	2.4
137.02432	1.7
137.09709	0.9
141.09248	0.7
148.04060	2.3
149.02341	0.9
150.02979	0.7
150.54066	0.6
151.04015	1.0
151.07663	1.6
153.05620	2.0
161.04555	2.9
162.04855	1.2
163.11342	1.2
164.11656	1.5
165.05579	2.3
165.09210	1.7
166.09547	1.1
167.03467	0.7
175.04001	0.9
180.04272	0.6
182.02748	5.5
191.07138	0.9
191.10759	1.4
193.05103	1.3
195.10152	0.6
205.08710	0.8
207.13924	0.6
208.07503	0.7
208.14241	1.4
209.11906	1.5
225.07654	3.3
225.14896	1.7
226.07980	6.4
226.09587	0.6
226.15314	2.4
243.16003	2.4
244.16318	2.9
249.28787	0.7
253.10727	1.2
271.08182	3.1
271.15576	5.5
340.80954	0.6
343.13889	1.0
344.08133	1.2
371.13388	1.2
388.09818	0.8
388.16357	3.4
388.21048	4.7
389.13690	1.4
389.18643	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	387.2307
Annotation	Unknow
Peak:m/z	Relative Intensity
54.73195	23.3
59.01371	90.6
61.98821	100.0
69.86696	20.0
71.25554	53.8
72.62349	20.8
75.92953	20.4
102.32423	20.8
145.08852	21.5
151.00362	29.7
263.17337	24.6
387.25079	40.0
394.26569	24.6
395.08453	25.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28150	0.7
51.99085	0.7
55.01878	4.6
57.03449	5.5
58.00587	3.8
58.76763	0.7
58.99606	2.0
59.01381	100.0
60.01720	1.2
68.99847	1.1
69.03461	1.1
71.01382	80.6
71.05045	1.1
71.55026	0.8
71.64233	0.7
72.01720	2.1
72.99300	7.5
72.99642	0.8
73.02948	15.8
74.99110	2.0
75.00901	0.9
83.01393	9.5
83.05063	0.8
85.02956	30.9
85.03467	1.7
87.00890	6.3
87.04562	0.8
89.02446	50.7
90.02762	1.5
91.24225	0.7
93.05024	0.8
93.05651	0.8
95.01390	5.7
97.02976	1.4
99.00883	7.0
101.02444	59.8
102.02763	1.6
102.98605	12.7
106.95374	0.9
108.43824	0.6
109.06621	0.8
111.00949	0.8
113.02452	32.5
113.06123	1.0
114.02780	1.0
119.03503	20.7
120.03885	0.9
120.96342	0.7
120.99668	3.7
123.08220	0.8
125.02460	1.7
129.01978	0.8
131.03535	2.0
135.03040	0.7
136.99191	1.2
137.02463	1.0
137.09743	1.8
143.03514	3.6
147.04553	0.8
149.04607	1.4
151.04007	1.1
151.11299	1.7
152.08406	1.4
153.09254	1.0
153.12846	0.9
155.10843	0.9
159.02975	3.8
161.04558	14.9
163.11374	1.7
179.05644	3.0
179.10748	0.8
181.12323	1.3
182.32306	0.9
189.12904	1.7
195.06696	1.5
195.13873	1.5
197.15515	1.4
207.13934	4.0
210.08974	3.0
221.09727	7.4
222.10316	1.2
225.09364	0.9
225.11577	4.6
225.14938	22.2
226.15335	1.9
237.09373	1.2
239.11281	0.9
257.12289	3.6
265.08749	2.1
269.14026	1.5
284.62915	0.8
309.07608	1.2
316.73077	0.8
327.08890	3.3
345.10031	1.4
346.10089	0.9
387.16425	6.6
387.20322	87.8
388.16357	1.5
388.20618	12.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08059	0.5
55.01883	4.5
57.03450	10.3
58.00595	3.3
58.99595	1.4
59.01379	84.5
60.01722	1.2
60.41055	0.5
61.98851	0.5
68.99816	1.0
69.03457	2.5
70.49627	0.7
71.01383	86.9
71.05025	4.4
72.01727	1.7
72.99310	7.1
73.01156	0.7
73.02949	21.1
74.99109	1.2
75.00875	1.0
81.03477	2.2
83.01384	10.4
85.02950	31.1
87.00880	5.3
89.02444	42.0
90.02807	0.6
95.01386	6.7
95.05043	3.1
96.96007	0.9
97.02955	6.0
97.06590	0.9
98.03753	0.7
98.20625	1.5
99.00877	7.8
99.04523	1.4
101.02444	48.8
101.06089	4.1
102.02800	1.8
102.98606	7.1
109.06591	2.6
111.00877	2.2
111.04502	2.3
113.02451	36.6
113.06070	1.2
114.02770	0.9
119.03500	15.3
119.36578	0.7
120.99666	4.7
121.06661	0.9
123.08141	2.5
125.02471	3.2
125.06046	0.7
125.09731	1.1
129.01974	0.9
131.03500	1.8
135.08138	1.0
135.98366	1.4
136.05273	0.9
136.99174	1.4
137.06116	0.9
137.09717	4.2
138.06862	25.2
139.07571	2.1
141.09203	0.7
143.03517	5.0
147.04530	1.2
149.04576	1.4
149.09747	1.0
150.06873	0.6
151.07634	1.3
151.11320	1.4
152.08360	1.0
153.09212	54.5
154.09535	3.0
155.03531	0.8
159.02994	5.5
161.04567	21.7
163.11253	2.2
165.12796	1.2
167.03473	1.6
167.10762	0.6
179.05641	2.4
179.10803	0.8
181.12349	1.0
186.26114	0.6
195.13910	2.2
197.15451	1.7
199.13348	1.4
205.12352	0.8
207.13910	8.1
221.09744	5.9
223.13380	1.5
225.14955	100.0
226.15282	9.7
237.09229	0.7
241.14175	0.7
243.16002	7.0
249.15070	0.8
257.12143	5.1
258.12451	0.8
265.08740	1.2
266.31088	0.6
281.09094	1.3
283.09769	1.2
285.17102	2.0
299.09244	0.6
309.07578	1.2
327.08780	2.7
345.09711	1.3
345.15836	0.6
381.84195	0.6
387.16260	2.5
387.20184	45.3
388.20566	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88539	0.9
55.01879	2.0
57.03457	3.1
59.01381	100.0
61.98830	16.7
63.96212	1.2
69.03455	11.6
69.20758	5.7
69.21178	3.8
71.01382	21.4
72.99309	1.5
73.02947	5.8
74.99104	4.1
76.47808	1.0
78.29025	0.9
83.01411	2.4
85.02959	10.4
87.00925	2.2
89.02443	8.4
95.01405	2.8
95.05043	1.2
96.71874	0.9
97.02979	1.8
98.19928	1.9
99.00892	3.4
101.02457	9.4
102.98582	1.2
106.04214	1.2
109.02979	2.1
113.02452	12.1
113.31446	1.0
115.02241	3.4
118.98102	1.3
119.03499	2.4
119.08675	0.9
120.99677	3.8
123.04543	1.8
125.02428	5.5
135.98393	1.3
136.04140	0.9
136.99100	2.2
137.02516	1.1
137.09750	1.5
141.09209	1.1
143.03539	0.9
148.04117	1.0
148.60480	0.9
151.04027	2.2
152.61127	1.0
153.09210	1.3
161.04565	8.6
163.11272	13.0
165.05576	2.8
165.09207	21.2
166.06358	1.0
182.02773	1.9
185.00902	6.9
199.07925	1.7
207.10297	1.1
223.08180	1.5
225.07686	15.6
225.14990	2.7
239.11208	1.4
243.15942	6.5
257.12262	7.4
259.26358	1.0
270.13501	1.1
387.12347	1.9
387.16479	21.6
387.20474	3.4
388.16971	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	387.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	4.7
56.08920	0.6
57.03451	6.7
58.00596	2.9
58.99606	2.2
59.01379	100.0
60.01705	1.3
63.96243	0.6
69.03480	1.2
70.10303	1.2
70.10719	2.2
71.01382	79.6
71.05035	1.2
72.01712	1.6
72.99303	8.8
73.02945	16.1
73.03354	0.9
73.05912	0.6
73.90493	0.6
74.99106	2.1
75.00880	1.4
81.03489	0.9
83.01388	9.0
83.05070	0.7
84.02168	0.8
85.02947	29.6
87.00864	5.7
89.02444	51.6
90.02790	1.0
95.01403	6.1
95.05040	0.7
97.02952	2.0
99.00877	6.6
99.04521	0.7
101.02440	56.1
101.06104	1.6
102.02772	1.5
102.96500	0.6
102.98598	8.5
111.00876	0.8
113.02447	32.6
114.02786	1.1
119.03500	24.1
119.04334	1.4
120.99657	2.9
125.02465	2.3
125.06103	0.8
129.01944	1.2
131.03503	2.7
134.54948	0.6
135.03026	1.4
135.98390	1.3
136.01630	0.8
136.99124	0.7
137.09708	1.9
139.07701	0.8
139.84515	0.6
141.01929	0.8
143.03484	3.8
149.04623	1.1
151.03993	1.3
152.08423	1.5
153.09215	1.3
153.12878	0.7
155.10753	1.5
159.02946	3.3
161.04553	15.4
161.05882	1.0
163.11299	1.4
165.09238	1.2
179.03493	1.2
179.05560	4.0
181.12341	1.0
189.12859	1.8
195.06622	1.0
195.13882	2.1
197.15486	2.0
205.12405	0.7
207.13895	5.5
209.09639	0.9
210.08969	1.9
221.09688	8.0
222.10153	0.9
225.11491	4.0
225.14923	19.7
226.15292	1.8
232.36977	0.6
237.09174	0.9
243.16035	1.7
257.12149	3.4
265.08676	1.5
269.13742	0.8
281.08762	0.7
285.17105	0.8
294.14856	0.7
299.09381	0.7
302.56577	0.7
309.07629	0.8
327.08847	3.8
345.09924	1.6
387.16489	5.8
387.20291	90.9
388.20639	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	387.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	1.9
57.03451	4.1
59.01381	100.0
61.98830	18.3
63.96247	1.2
69.03454	13.6
69.47308	1.3
69.47710	6.6
71.01383	21.7
72.99292	2.1
73.02962	5.5
74.99111	6.4
79.01931	0.9
83.01392	3.2
83.05038	1.7
85.02953	10.8
87.00879	3.2
89.02444	6.5
95.01405	3.1
97.02948	4.0
99.00874	6.7
99.04553	0.9
101.02444	9.5
102.98619	2.3
105.38333	1.1
106.04239	1.4
107.05095	1.2
109.02943	2.7
113.02447	14.1
115.02258	2.7
119.03516	2.3
119.08606	1.7
120.99656	4.6
125.02434	1.3
134.17329	1.2
135.03020	1.5
135.98354	1.5
136.99139	3.3
137.09715	2.1
141.01973	3.1
143.03546	1.2
153.09193	1.7
161.04587	9.2
163.11345	5.4
165.05476	1.5
165.09215	28.5
166.09512	1.8
167.03404	1.0
181.12386	1.7
182.02740	3.3
185.00940	9.2
190.06877	1.0
195.13806	1.0
199.08023	2.6
207.10023	1.1
223.08122	1.2
225.07639	9.3
225.11160	1.3
225.14948	2.8
226.07974	1.7
239.11035	1.4
243.15926	4.3
256.29883	1.2
257.12125	7.6
287.17316	1.1
327.12869	1.2
387.16614	12.2
387.20532	3.0
388.16782	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1122
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	5.8
57.03453	6.5
57.83001	1.1
58.00584	3.3
58.99598	12.7
59.01380	76.2
60.01743	1.1
61.98825	1.7
69.03452	2.7
70.27570	1.1
71.01383	72.7
71.05022	2.2
71.55528	1.8
72.01707	1.6
72.97498	1.3
72.99303	8.0
73.02942	19.7
74.99084	3.9
75.00899	1.6
81.03413	1.6
83.01382	8.7
83.05024	2.3
84.02174	2.0
85.02946	28.2
87.00861	7.4
87.04512	3.4
89.02442	33.6
95.01398	5.9
97.02953	2.4
97.06594	2.1
99.00895	6.8
99.02734	2.4
99.04515	1.4
101.02443	47.6
102.02744	1.3
102.98594	45.5
104.98228	1.5
113.02451	29.1
117.97303	5.3
119.03504	13.8
120.99666	10.6
123.08229	1.7
125.02443	3.0
129.01955	2.0
131.03555	1.8
135.02951	2.1
135.98296	1.9
136.99104	2.4
138.06851	1.6
141.09207	1.6
143.03464	4.7
147.04500	1.1
149.04536	1.8
151.04019	1.5
151.11226	2.1
153.09174	4.6
159.02963	4.7
161.04541	21.5
163.00667	2.9
163.11241	2.2
167.10730	1.4
168.92021	1.2
171.08461	2.1
178.02771	1.7
179.03645	1.3
179.05614	2.7
179.07132	3.2
181.05202	1.5
181.06886	3.3
182.00449	12.9
183.01108	1.4
189.12758	1.4
193.05077	1.6
197.02768	40.3
198.03194	1.9
199.08011	1.8
205.12309	2.0
207.06720	1.9
207.13867	4.4
209.08168	1.3
212.01463	1.7
221.09755	7.1
225.11420	1.5
225.14928	15.5
227.03847	2.6
241.05348	1.3
242.06238	3.3
257.08484	100.0
257.12088	15.8
258.08820	8.2
258.12521	2.4
269.13956	1.5
315.08627	1.4
327.08911	5.7
345.10031	11.0
387.10995	3.5
387.15128	6.2
387.20145	27.2
387.24094	10.4
388.20554	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	387.0699
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74831	5.6
59.01376	16.2
61.98835	34.8
70.01510	12.6
70.01898	13.9
71.01380	28.1
72.99294	18.4
83.01388	8.2
85.02978	13.7
87.00866	46.9
89.02448	11.1
90.25935	5.4
96.96959	11.2
99.00889	23.0
101.02460	16.9
111.00878	16.6
113.02422	10.2
123.00854	6.5
127.00391	100.0
129.01923	20.7
141.01944	8.9
146.48401	7.0
154.99799	6.9
157.01399	53.6
165.05635	8.2
169.01436	16.6
175.02533	10.9
177.01976	8.3
195.01448	6.5
199.02438	32.5
229.03552	34.0
239.39398	7.1
287.04163	31.1
319.06781	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	387.1095
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47623	0.7
55.01874	2.1
57.03426	2.8
58.00568	0.8
58.99603	7.4
59.01380	26.0
66.91711	0.8
69.03435	0.8
71.01382	29.1
71.55654	1.1
72.99310	42.5
73.02945	8.7
74.99092	2.4
83.01395	3.7
85.02953	12.7
87.00877	3.4
89.02451	10.9
95.01392	2.4
97.02942	1.6
99.00874	2.9
101.02451	19.4
102.98600	37.2
113.02455	12.1
113.08791	0.9
114.02663	0.8
119.03508	4.0
119.05003	0.9
120.99661	4.8
131.74390	0.8
136.99217	1.6
143.03462	1.9
147.04556	0.8
153.09186	1.3
159.02986	2.2
161.04544	11.1
163.00697	3.3
163.11284	1.1
179.05698	1.0
182.00459	4.3
195.08220	1.1
197.02774	16.4
207.06580	0.9
207.13866	2.3
208.08907	2.3
209.08089	1.1
209.09753	8.6
211.13319	1.5
212.01491	0.9
221.09714	100.0
222.10039	9.7
225.09186	1.3
225.14990	5.9
227.03831	1.4
237.09232	10.8
238.09782	1.0
242.06042	1.3
253.08769	1.7
257.08517	37.1
258.08841	3.7
265.08685	32.2
266.09055	4.3
269.13858	1.0
281.08218	4.2
283.09732	15.6
284.10086	1.7
299.09229	6.2
309.07645	11.9
310.07907	1.3
327.08737	38.7
328.09076	4.7
345.05615	1.5
345.09811	29.7
346.10287	4.1
379.01678	0.9
387.10742	8.1
387.15268	1.6
387.20215	8.5
387.24142	1.7
388.11227	1.4
388.20374	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1095
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47623	0.7
55.01874	2.1
57.03426	2.8
58.00568	0.8
58.99603	7.4
59.01380	26.0
66.91711	0.8
69.03435	0.8
71.01382	29.1
71.55654	1.1
72.99310	42.5
73.02945	8.7
74.99092	2.4
83.01395	3.7
85.02953	12.7
87.00877	3.4
89.02451	10.9
95.01392	2.4
97.02942	1.6
99.00874	2.9
101.02451	19.4
102.98600	37.2
113.02455	12.1
113.08791	0.9
114.02663	0.8
119.03508	4.0
119.05003	0.9
120.99661	4.8
131.74390	0.8
136.99217	1.6
143.03462	1.9
147.04556	0.8
153.09186	1.3
159.02986	2.2
161.04544	11.1
163.00697	3.3
163.11284	1.1
179.05698	1.0
182.00459	4.3
195.08220	1.1
197.02774	16.4
207.06580	0.9
207.13866	2.3
208.08907	2.3
209.08089	1.1
209.09753	8.6
211.13319	1.5
212.01491	0.9
221.09714	100.0
222.10039	9.7
225.09186	1.3
225.14990	5.9
227.03831	1.4
237.09232	10.8
238.09782	1.0
242.06042	1.3
253.08769	1.7
257.08517	37.1
258.08841	3.7
265.08685	32.2
266.09055	4.3
269.13858	1.0
281.08218	4.2
283.09732	15.6
284.10086	1.7
299.09229	6.2
309.07645	11.9
310.07907	1.3
327.08737	38.7
328.09076	4.7
345.05615	1.5
345.09811	29.7
346.10287	4.1
379.01678	0.9
387.10742	8.1
387.15268	1.6
387.20215	8.5
387.24142	1.7
388.11227	1.4
388.20374	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.223
Annotation	Oleandolide
Peak:m/z	Relative Intensity
50.06010	1.3
52.30652	1.3
58.10706	1.2
59.01380	9.3
61.98820	12.2
69.34289	7.0
69.34699	3.7
71.01377	4.3
72.99316	1.8
73.02934	1.9
85.02956	2.1
89.02444	3.8
91.04017	2.1
98.20686	2.7
101.02454	2.7
113.02465	1.7
121.02952	1.5
122.03783	2.5
151.00363	1.2
167.14359	2.1
193.15849	2.0
223.20592	2.3
249.18633	7.3
267.19635	100.0
268.20010	13.2
275.16513	13.5
276.16946	1.9
293.17584	73.9
294.17844	11.4
311.18558	13.1
339.58920	1.3
355.08426	1.5
361.24286	1.5
367.21426	6.5
385.17249	3.1
385.22269	64.3
385.26135	3.0
386.22510	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	386.0941
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	2.6
61.98832	100.0
68.99843	1.5
69.93330	6.5
71.01379	4.5
72.99306	1.5
73.02938	1.5
83.01357	1.9
85.02956	3.2
87.00874	6.0
88.07027	1.3
89.02461	2.2
96.96987	1.9
99.00883	2.5
111.00909	1.3
115.00359	1.5
127.00375	11.2
129.01942	4.1
141.01991	2.0
145.76685	1.3
148.59355	1.3
157.01433	5.7
161.04541	1.4
162.05586	1.5
169.01421	2.0
175.02438	2.1
197.82956	1.5
199.02434	2.9
209.27370	1.4
210.31638	1.6
229.03500	4.4
287.04144	3.0
319.06619	2.2
348.92499	1.5
352.58667	1.5
386.10648	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	386.1304
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86887	1.2
53.67813	1.1
54.59980	1.0
59.01379	21.1
61.98833	100.0
64.84716	1.1
69.03453	7.0
69.82977	4.6
71.01383	6.1
72.99321	3.0
73.02958	1.3
85.02950	7.3
87.00867	2.8
87.49998	1.1
89.02452	7.2
92.90164	1.3
93.03474	1.6
97.02959	1.1
98.19896	2.3
99.00903	2.8
101.02413	2.7
113.02459	2.6
119.03588	2.3
121.02978	1.4
123.04639	1.1
135.04498	3.9
137.02454	2.1
138.05630	4.2
143.07135	1.4
163.04004	1.7
165.01918	4.1
165.05582	3.6
179.03502	1.5
179.05627	2.2
181.05200	1.4
185.00978	6.0
188.03438	1.5
208.48314	1.0
210.03300	1.1
225.04053	4.1
225.07631	2.4
289.03549	1.3
323.13449	25.8
324.13916	1.7
386.02673	1.2
386.07748	4.1
387.09012	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	385.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02105	0.6
54.92080	0.6
55.01878	2.6
56.61719	0.6
57.03446	3.9
58.00588	5.1
59.01378	100.0
60.01723	1.3
61.75901	0.5
61.98838	3.1
63.96218	1.0
69.03457	9.3
69.76142	0.6
71.01382	73.7
72.01700	1.5
72.99304	5.4
73.02947	5.2
74.99097	2.2
75.00864	1.1
79.05145	0.7
79.05518	3.8
81.03443	1.0
81.40597	0.6
83.01379	3.0
83.05030	0.9
85.02953	16.6
87.00875	5.3
89.02445	82.6
90.02782	1.4
95.01370	4.1
97.02953	3.8
97.06586	1.5
97.40602	0.7
99.00878	4.7
99.04520	1.2
101.02442	35.8
102.98586	2.7
109.06519	0.8
111.00886	0.9
111.04566	0.8
111.46015	0.7
113.02448	29.7
117.01981	0.7
117.97331	1.1
119.03506	34.4
120.99622	1.8
121.02953	0.8
123.08176	2.9
125.02425	1.2
125.09727	0.8
129.01942	0.7
131.03479	2.7
134.03705	0.7
135.02980	4.1
135.08148	1.2
135.98323	1.5
136.99120	1.8
139.07684	0.7
141.01883	0.8
141.05569	1.9
143.03503	5.4
147.08131	1.5
149.02441	0.9
149.04544	3.5
149.05983	0.9
151.07524	0.9
152.08362	0.8
153.09206	12.2
154.09543	0.9
159.03011	0.9
161.04568	6.7
161.09628	1.0
162.02359	0.8
163.11240	1.5
177.17798	0.7
179.05621	9.1
179.07043	0.7
179.10725	1.2
181.08629	0.7
185.00941	5.7
186.01237	0.8
187.11269	3.8
189.09236	0.9
190.09879	1.8
193.05043	0.8
205.10564	1.1
205.12329	17.3
206.12653	1.2
223.13371	2.9
225.11229	0.8
233.11865	1.6
252.80505	0.6
255.10620	4.3
267.08585	1.4
267.12177	0.8
267.15924	0.7
341.06894	0.9
385.10669	1.5
385.14819	1.1
385.18698	3.4
385.22522	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1866
Annotation	(6R)-9,10-Dihydroxy-4,7-megastigmadien-3-one-9-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
55.01873	1.1
57.03441	1.5
58.00598	3.8
59.01380	100.0
59.98517	1.7
60.01715	2.0
61.98832	3.4
64.12093	1.1
71.01382	66.1
71.55944	1.8
72.99319	6.1
73.02946	2.1
83.01392	2.8
85.02965	12.4
87.00879	2.6
89.02448	86.3
95.01398	3.6
97.06631	1.3
99.00868	1.2
99.04521	10.3
101.02443	34.8
104.71288	1.0
113.02452	26.2
113.93626	1.0
119.03510	33.7
120.03863	1.5
131.03491	3.5
143.03500	4.6
149.04552	2.6
161.04549	3.3
161.13324	3.7
172.00381	1.2
179.05621	8.8
205.12344	53.7
206.12709	4.8
211.13338	1.9
233.11697	1.6
327.21744	4.4
343.21329	3.2
385.17700	3.7
385.22220	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	385.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48064	0.4
53.45439	0.4
55.01878	2.1
57.03445	3.9
58.00605	2.6
59.01379	58.2
60.01719	0.7
67.01915	0.4
67.28587	0.4
69.03461	4.3
69.40617	2.1
69.41048	1.1
70.03799	0.5
71.01382	65.1
71.05022	0.4
71.09953	0.5
72.01733	1.2
72.99313	3.5
73.02947	12.6
74.03288	0.4
74.99115	0.5
75.00873	0.7
78.04135	0.4
79.05570	0.4
81.03474	0.6
83.01391	5.7
83.05031	1.2
84.02185	0.6
84.46957	0.4
85.02951	24.8
87.00872	3.8
89.02444	29.7
90.02761	0.7
95.01374	4.8
95.05032	1.9
95.59293	0.4
97.02955	5.4
97.06602	0.5
98.03313	0.4
99.00878	6.6
99.04536	0.6
101.02444	33.8
101.42940	0.4
102.02798	1.1
102.98602	1.4
105.07116	1.7
107.05023	0.9
108.05817	2.7
109.02937	1.1
109.06606	1.7
111.00906	0.5
111.04539	1.3
111.08128	0.6
112.01616	0.4
113.02452	25.9
113.06091	2.9
114.02781	1.0
119.03505	9.7
120.03871	0.5
120.99680	0.8
121.02965	7.0
121.06601	0.5
122.03725	1.8
123.08173	4.0
124.05286	0.5
125.02464	0.8
125.06065	3.7
129.01920	0.5
131.03526	1.3
134.03761	2.2
135.08165	0.7
136.05302	4.0
137.06093	1.6
138.06870	22.6
139.07681	10.2
143.03516	3.1
145.81665	0.4
147.08159	0.6
149.04617	0.8
149.06110	2.7
151.07651	22.0
152.04857	2.1
152.08434	41.7
153.09212	100.0
154.09561	4.8
159.02992	4.1
161.04549	15.4
161.09724	0.9
162.04913	0.6
163.11302	3.4
165.09225	2.1
167.07150	1.8
175.14328	0.5
178.10077	0.5
179.05569	2.2
181.08669	0.4
185.00940	1.5
187.11255	1.3
189.09245	1.2
190.10027	1.6
193.05040	0.6
205.12326	29.1
206.12712	2.6
212.52040	0.4
223.13383	13.4
224.13779	1.7
229.12366	0.7
233.10266	0.5
255.10616	0.6
263.07672	1.1
267.08694	1.4
381.79495	0.5
385.11435	1.7
385.14059	0.4
385.18658	5.8
385.23251	0.5
386.18973	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98800	2.3
55.01867	2.5
55.46439	2.0
56.98032	2.7
57.03448	3.5
58.00595	2.4
59.01380	89.7
61.98831	5.0
69.03450	6.7
71.01382	49.3
71.55639	3.0
71.56046	2.7
72.30648	1.9
72.97517	2.1
72.99307	7.0
73.02937	15.2
74.99090	4.9
83.01382	3.8
85.02951	16.3
87.00867	4.6
87.04498	4.0
89.02442	47.5
95.01367	4.9
97.02952	3.3
97.06608	3.0
99.00879	3.9
99.04504	5.2
101.02445	32.0
101.06110	2.5
102.98576	4.7
109.06581	2.5
113.00657	3.9
113.02447	26.2
119.03492	21.1
120.99610	7.3
133.10229	2.5
135.02997	4.7
135.11795	14.7
136.07695	2.4
136.12189	2.3
136.50763	2.1
136.99174	3.9
137.02509	2.8
141.09210	12.8
144.03624	2.3
153.03775	9.7
159.02994	2.0
159.08118	2.1
159.11794	3.3
161.04524	5.9
161.09683	7.9
161.13324	2.8
163.11189	2.3
175.07509	2.6
179.05556	4.2
179.10768	100.0
180.11105	8.7
185.00795	4.2
197.11829	3.6
203.10805	4.5
205.08626	3.3
205.12323	28.8
223.09752	57.8
223.13332	8.3
224.10123	6.1
235.07726	2.1
255.10591	39.6
256.10907	3.2
265.10803	4.1
267.12366	3.7
267.15930	5.5
297.11627	2.7
325.20151	4.0
341.02933	3.4
343.21201	9.0
367.21243	3.1
385.13956	6.8
385.19116	3.0
385.22543	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	385.1327
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.3
56.98036	5.1
57.03441	3.4
58.00579	1.1
58.99604	3.1
59.01379	26.3
65.34488	0.9
69.03442	0.9
69.36843	5.4
71.01382	27.3
71.05025	1.4
72.99311	1.9
73.02950	8.1
74.99104	1.4
75.00875	1.4
81.03454	1.2
83.01388	1.8
83.05018	1.7
85.01183	1.9
85.02949	9.0
87.00867	3.5
89.02441	14.8
95.01410	1.7
99.00868	2.4
99.04506	2.8
101.00680	1.0
101.02454	15.2
101.06076	5.7
102.98595	19.8
109.03001	1.1
111.00851	0.9
111.99906	1.3
113.00685	16.4
113.02444	12.4
113.06071	1.8
113.09687	0.9
119.03481	5.1
120.99648	3.9
123.82858	0.9
133.75223	0.8
135.02997	1.8
136.05244	1.1
137.09709	2.2
138.01450	0.8
139.41341	0.7
141.09216	30.5
141.94960	0.8
142.09518	2.5
143.03506	1.5
149.09859	0.8
151.07610	0.9
151.11365	1.0
151.36882	0.7
153.03792	22.1
153.09225	4.8
154.04173	0.9
155.05397	2.0
159.03000	1.7
161.04544	8.1
161.09697	2.4
163.00682	1.6
163.07632	1.0
163.11243	0.9
165.09200	2.8
167.10774	0.9
169.06926	3.8
175.07677	1.2
177.12813	3.2
179.05458	1.3
179.10724	5.6
181.12386	0.8
187.11234	1.9
190.09906	1.0
203.10738	2.9
204.11563	1.4
205.12341	19.2
206.12631	2.2
212.97954	0.8
221.11768	1.3
223.09818	1.0
223.13377	15.0
224.13808	1.0
237.09407	1.6
240.00902	1.1
255.03288	3.2
255.10596	100.0
256.10886	10.2
267.16052	4.2
278.28546	0.9
308.08694	0.8
367.17355	1.3
370.20874	0.9
385.13779	1.8
385.18582	10.1
385.22583	2.0
386.19113	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1326
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49886	0.6
55.01873	1.3
57.03441	2.4
58.00597	0.6
58.99606	14.8
59.01379	23.0
61.33022	0.5
61.98823	1.0
62.33699	0.5
62.61343	0.5
68.08054	0.5
69.03471	1.0
69.20275	0.6
69.26127	5.7
71.01382	10.8
72.99306	1.6
73.02947	2.2
74.99094	4.3
75.00874	2.4
85.02953	5.5
87.00870	2.2
87.04558	0.6
89.02437	5.6
91.05533	1.4
95.01381	1.1
97.02935	0.6
99.00880	1.5
101.00629	1.8
101.02457	5.0
102.98598	100.0
103.98940	2.0
113.02438	6.1
118.98048	1.6
119.03497	2.6
120.99654	5.7
121.06554	0.7
135.04529	7.0
135.32353	0.6
136.99146	1.1
137.09737	1.7
153.09247	1.2
161.04565	1.3
161.09695	1.4
163.00681	8.4
163.11246	2.0
169.06949	6.2
179.05608	0.7
179.10837	2.1
181.12410	3.1
187.11249	0.7
190.09926	1.0
195.08464	1.4
203.10837	1.1
205.12361	2.1
221.11894	2.5
223.13383	2.0
237.09549	3.6
249.06137	4.9
255.10622	3.5
267.12518	0.8
267.15793	1.5
384.35355	0.7
385.11163	4.6
385.18427	1.3
385.22641	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.114
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	8.3
59.01376	12.5
60.98345	2.9
61.98822	7.3
69.64050	6.4
69.64462	10.1
71.01368	7.6
72.99292	4.5
80.45991	2.5
85.02956	50.1
87.00865	2.4
89.02421	2.8
103.54882	3.3
111.00890	3.6
118.02988	3.3
119.05025	95.7
120.05345	7.0
129.01929	4.6
144.04494	3.8
144.22639	2.8
147.02960	4.5
162.05672	4.8
163.04004	100.0
164.04454	5.7
169.79588	2.7
179.07019	2.7
188.03502	4.8
191.01950	15.3
209.03035	8.7
223.04291	3.0
223.06203	2.8
265.00104	3.0
324.17831	2.8
385.11597	4.1
386.10770	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	385.114
Annotation	3'-O-beta-Glucopyranosyl plumbagic acid
Peak:m/z	Relative Intensity
55.01870	2.0
57.03445	4.6
59.01102	2.8
59.01382	32.2
61.98821	4.2
66.94995	1.3
69.03462	10.3
71.01380	31.3
72.97520	2.5
72.99309	6.1
73.02953	3.6
74.99094	2.3
75.00864	14.4
75.99066	1.3
79.05535	1.4
80.30708	1.2
83.01383	3.2
84.58299	1.4
85.02956	33.2
86.03308	1.4
87.00874	10.6
89.02432	11.0
89.97700	1.4
90.44252	1.3
91.05527	6.2
93.03487	1.7
95.01386	8.1
97.02954	2.3
99.00876	12.1
101.02442	5.4
102.98596	1.9
103.00395	4.1
104.96774	1.4
111.00911	2.4
113.02448	37.4
117.01962	3.2
117.03471	3.1
117.87009	1.4
119.03458	1.6
120.99650	7.5
121.02973	3.5
129.01970	4.2
134.03737	5.0
135.03009	3.0
135.04517	5.8
136.99207	2.0
149.02449	16.1
149.06044	1.7
151.07549	1.5
152.01112	3.1
162.60321	1.7
163.03964	3.7
163.07645	3.8
163.48929	1.4
164.04790	14.2
167.03514	1.5
175.02487	2.4
179.07094	7.3
181.08684	2.3
185.00916	5.8
190.02788	2.1
193.01404	7.7
205.05078	2.2
205.12323	3.4
208.03738	17.3
209.04155	1.5
223.06131	44.9
223.08119	1.8
223.13214	1.5
224.06425	2.1
229.05252	1.7
249.06190	10.7
255.10466	2.3
267.07166	100.0
268.07565	5.1
385.11319	19.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1139
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70737	1.0
55.01871	2.4
57.03457	5.1
59.01378	30.1
63.69070	0.9
67.01898	1.9
68.99830	1.9
69.03461	1.8
69.37467	8.6
69.37811	1.7
71.01006	1.9
71.01380	29.3
72.99313	6.8
73.02957	3.2
75.00871	20.3
83.01363	1.8
85.02953	29.9
86.03285	1.4
87.00874	12.5
89.02430	8.2
91.05004	2.0
91.05531	22.0
91.06062	1.7
95.01395	7.9
97.02958	1.0
99.00874	13.0
101.02431	2.7
103.00400	2.5
111.00908	1.1
113.02448	39.7
115.00375	2.6
117.01916	3.6
117.03463	6.8
119.03526	1.1
120.23248	1.1
121.02957	17.7
129.01936	1.5
135.04529	9.2
138.06880	1.3
143.90053	1.0
151.07664	1.1
152.08395	2.3
153.09212	5.4
156.75513	0.9
175.02472	2.8
205.12308	2.0
207.05052	1.4
231.05157	2.4
249.06145	41.8
250.06491	2.1
263.07703	6.0
267.07205	100.0
268.07492	4.9
382.95129	1.0
385.11377	32.3
386.11749	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.0776
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84545	0.7
55.01864	2.1
56.08279	0.7
56.53122	0.8
57.03446	14.3
58.00571	0.7
59.01107	1.0
59.01379	11.8
60.41716	0.6
61.98828	2.9
62.52756	0.8
63.67795	0.8
68.80105	0.6
68.99820	1.3
71.01385	6.2
72.99305	2.5
73.02964	0.9
75.00874	2.4
83.01393	2.6
84.02161	2.7
85.02948	100.0
86.03289	3.3
87.00879	2.0
89.02453	1.3
98.09895	0.7
101.02448	2.3
103.00381	1.3
107.43005	0.6
111.00883	6.4
113.02404	0.8
119.04983	0.8
129.01944	11.3
130.32813	0.7
134.03757	4.0
147.03004	8.0
173.00911	1.7
174.01665	1.6
179.03391	0.7
191.01990	23.4
193.05034	2.7
205.03548	3.9
205.12318	0.9
209.03043	11.0
223.04518	13.0
385.11554	3.2
386.11383	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.3119
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
61.98838	5.0
71.54799	3.6
87.84575	2.3
110.45578	2.8
230.73566	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	385.0777
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87265	1.1
55.01882	1.7
57.03452	15.4
59.01377	10.0
60.71310	0.9
61.98827	2.1
68.99831	1.3
69.70562	4.0
71.01385	6.9
72.99309	3.9
73.02933	2.7
75.00861	3.0
77.89689	0.8
78.95915	2.2
79.28973	0.8
82.87835	1.0
83.01396	3.0
84.02184	3.4
85.02953	100.0
86.03291	3.0
87.00875	4.2
89.02429	3.7
96.95961	1.3
96.96958	3.7
97.02943	1.0
99.00886	1.7
101.02434	4.0
103.00378	2.5
111.00883	9.0
112.77058	1.1
113.96611	0.9
115.00345	1.1
115.52307	1.0
118.02983	1.2
119.05020	2.9
124.01627	0.9
129.01933	13.0
134.03717	3.9
135.04553	1.3
144.04482	1.7
147.02983	9.3
162.05589	2.1
163.04007	5.0
173.00877	1.9
185.31256	1.0
188.03488	1.1
191.01979	22.1
193.05125	1.6
196.57635	1.0
204.68475	0.9
205.03575	6.1
206.04547	1.4
209.03021	11.4
216.40457	1.0
223.04573	29.7
224.04958	1.3
246.97380	1.0
267.80563	0.9
323.01797	1.1
333.66168	1.0
343.91437	1.0
344.02301	1.2
348.84192	1.0
365.28958	1.1
385.07596	2.3
385.11865	2.7
386.11212	1.0
386.43475	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	2.2
58.00592	3.9
59.01380	100.0
60.01715	2.2
60.79221	1.7
61.98791	2.3
63.65557	1.7
65.95762	1.5
71.01382	64.0
71.56239	1.6
72.99310	8.2
73.02958	2.0
83.01373	3.7
85.02950	13.8
87.00889	5.1
89.02447	85.9
93.03468	3.2
95.01407	4.0
99.00838	2.7
101.02443	36.5
102.98589	3.1
105.01945	21.7
106.71034	1.7
113.02454	29.6
119.03499	32.4
120.99705	2.2
121.02921	2.1
131.03482	2.3
137.02432	3.6
143.03505	3.9
143.08679	6.4
147.04546	2.1
149.04594	2.4
157.10205	1.6
161.04544	3.6
179.05612	6.4
179.10741	4.7
203.10771	54.7
204.11078	6.1
207.11888	2.7
223.09789	2.3
251.10913	8.0
295.09692	11.1
323.10135	2.0
341.19568	4.3
383.16730	2.9
383.20828	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	383.1134
Annotation	Unknow
Peak:m/z	Relative Intensity
58.79576	0.5
59.01385	4.5
61.30913	0.4
61.38372	0.5
61.98820	0.8
69.29034	4.2
71.01402	0.5
72.99313	6.5
75.00880	2.6
90.04647	0.5
91.77013	0.6
96.99331	0.8
98.20606	0.9
105.01934	100.0
106.02272	1.4
113.02494	0.5
115.05533	0.9
121.02980	0.6
141.24049	0.5
147.04524	9.0
171.87154	0.7
205.10181	0.5
207.11798	1.6
233.09720	2.3
242.20638	0.6
251.10765	1.9
267.69156	0.5
277.08740	0.9
295.06412	1.0
295.09738	14.0
296.10162	1.9
383.11380	0.8
394.44934	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1137
Annotation	Unknow
Peak:m/z	Relative Intensity
55.83159	0.5
59.01385	2.6
61.98803	0.6
65.03958	1.1
69.42253	4.0
71.01382	0.8
76.23656	0.5
86.34418	0.4
87.42023	0.4
93.03469	0.5
103.05548	1.1
103.24934	0.5
105.01936	13.4
116.96492	0.5
119.04988	0.7
120.99670	1.1
147.04507	7.1
174.09789	0.4
205.10233	1.9
207.11816	8.5
208.12059	0.8
209.09789	0.5
221.09923	0.6
251.10773	16.0
252.11034	1.0
295.09741	100.0
296.10098	14.3
383.11292	1.1
383.20642	0.6
404.24918	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1136
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	1.6
65.03962	2.7
69.22437	4.2
71.01372	0.8
72.44464	0.4
72.99299	0.6
79.25021	0.4
83.91177	0.4
85.02936	0.6
101.02397	0.5
103.05515	0.5
105.01924	7.6
115.05588	0.6
119.04939	0.4
121.02920	0.4
129.07072	0.8
145.06535	0.5
147.04517	6.1
151.36540	0.5
154.12224	0.4
172.04941	0.5
172.40393	0.5
183.85974	0.4
191.08569	0.8
205.10233	3.9
207.11771	9.0
208.12088	1.0
251.10753	24.1
252.11172	2.7
295.09738	100.0
296.10095	11.2
383.11475	1.9
383.20563	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1138
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	4.3
59.97309	0.5
61.98824	1.4
63.29084	0.5
63.57774	0.5
65.03952	1.5
67.19178	0.5
71.01382	1.6
72.99304	1.5
73.02953	0.6
75.00877	0.6
76.05275	0.4
76.34157	0.5
87.00842	0.6
89.02441	1.0
98.19866	1.3
101.02437	1.0
102.98589	0.6
103.05564	0.9
105.01936	16.5
119.05051	1.0
120.99655	1.4
128.86777	0.6
147.04526	8.6
179.10783	1.5
205.10184	2.5
207.11777	7.9
208.12149	1.1
251.10770	17.0
252.11127	1.8
253.09120	1.4
295.09750	100.0
296.10074	13.0
341.19592	0.8
355.77673	0.6
359.74908	0.6
383.11505	1.8
383.20749	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1133
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75695	0.5
59.01377	2.6
61.98819	0.9
71.01375	1.1
72.99287	0.8
96.99319	8.2
101.02435	1.1
103.05556	0.6
105.01937	6.9
113.02517	0.6
115.05540	7.7
117.03460	1.6
119.04994	0.7
121.02977	0.8
131.05013	0.9
143.99666	0.6
147.04529	12.6
148.04918	0.8
194.83385	0.5
205.10188	3.2
207.11800	0.8
233.07399	1.1
233.09709	22.0
234.10020	3.0
242.52173	0.6
251.10822	1.5
277.08670	7.8
295.09760	100.0
296.10104	12.8
341.10840	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.0773
Annotation	Decaketide tricyclic intermediate
Peak:m/z	Relative Intensity
59.01377	5.3
61.98815	4.3
64.11722	1.5
65.75494	1.3
68.99841	1.4
69.38815	12.2
71.01372	2.0
76.73908	1.2
80.94468	1.3
82.26752	1.4
89.02450	1.7
101.02418	2.1
119.72664	1.5
121.02956	100.0
122.03280	4.3
147.04549	2.4
149.02412	1.8
164.04823	1.4
181.06488	2.8
191.03490	9.2
225.05501	7.6
251.07130	2.8
280.58905	1.3
295.06128	11.7
296.06461	2.3
311.09210	17.6
312.09622	2.3
313.07193	20.2
314.07571	2.4
339.08820	16.8
340.09076	2.5
351.28842	1.4
357.06046	1.6
383.07758	22.3
384.08026	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	383.1135
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	4.3
69.88593	3.8
70.35243	0.7
71.01382	2.5
72.99312	3.5
75.00874	1.6
87.00861	0.8
89.02366	1.0
96.99306	9.7
103.05587	0.9
105.01936	87.9
106.02296	1.3
111.45641	0.8
113.02528	1.1
115.05536	9.9
117.03439	1.7
119.05051	1.2
121.02974	1.3
131.05019	1.1
137.97395	0.8
147.04523	15.0
148.04904	1.0
156.79436	0.8
205.10211	7.8
207.11848	1.9
233.09700	38.4
234.10100	4.0
241.22583	0.9
244.17149	0.9
251.10904	1.6
253.42900	0.8
277.08698	16.6
278.08929	2.0
295.09747	100.0
296.10132	10.9
323.09781	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.2962
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
61.98833	5.7
78.07697	0.9
83.89255	0.9
101.02457	1.0
101.55421	0.8
146.96646	1.1
183.01135	1.0
201.94843	1.1
300.90186	1.0
322.27649	1.2
325.18411	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	0.9
59.01381	15.8
61.98824	3.1
69.03450	0.8
69.47475	4.2
71.01382	10.3
71.64751	0.6
72.99296	1.3
73.02962	2.6
75.00874	17.7
83.01392	1.0
85.02964	4.3
87.00879	15.7
89.02461	5.9
89.16670	0.6
95.01386	0.9
97.02984	0.8
99.00910	0.6
101.02425	5.4
113.02478	3.9
115.05536	7.3
116.05065	2.9
116.99869	0.6
117.01895	0.6
119.03513	2.6
129.01915	0.7
130.06641	8.1
131.03795	0.6
132.04553	26.8
133.02930	0.9
133.04892	1.3
144.04523	1.8
146.06154	1.2
148.73486	0.7
151.07672	0.9
151.11449	0.7
157.05292	1.1
158.06114	100.0
159.06480	5.2
161.04488	1.1
174.05571	3.7
176.07175	3.1
179.08266	1.1
193.01523	0.8
202.05095	42.6
203.05498	3.5
203.10796	1.1
216.04150	0.7
220.06171	10.3
221.04541	3.0
221.11900	0.7
237.06117	10.2
249.06136	9.3
250.06331	0.8
262.07086	1.8
364.10327	1.3
382.11420	49.5
383.11749	6.8
383.20935	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	15.5
59.32786	0.8
61.98839	5.3
70.83105	1.7
70.83443	0.8
71.01379	11.6
72.99314	1.6
73.02939	1.9
74.75549	0.8
75.00873	19.7
82.65218	0.8
83.01382	2.0
85.02945	3.9
87.00881	16.7
87.01381	1.5
89.02434	5.6
95.01382	0.8
99.00896	1.1
101.02465	5.7
108.25304	0.7
109.02980	0.7
109.06551	0.7
113.02425	3.9
115.05549	5.9
116.05029	3.5
117.01936	1.0
119.03505	2.1
123.04485	0.8
129.01959	0.9
130.06636	7.9
131.06941	0.7
132.04553	25.7
133.04930	1.7
134.17871	0.8
134.57033	0.8
144.04526	1.6
146.59280	0.7
157.05247	1.0
158.06113	100.0
159.06430	6.7
161.04518	1.1
163.07639	0.9
172.48643	0.8
174.05640	3.9
176.03514	2.6
176.07034	0.7
177.01964	0.8
177.05394	1.0
181.05185	0.8
202.05098	42.1
203.03632	0.9
203.05441	3.6
210.55692	0.7
220.06136	7.4
237.06160	8.1
249.06133	12.0
262.07083	1.7
265.08255	0.9
382.11423	49.2
383.11868	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	381.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	2.0
60.21562	1.1
61.98832	1.7
70.77231	3.3
147.78516	1.2
151.11263	1.7
152.99622	1.1
153.12831	3.6
163.11310	1.4
165.12846	4.1
170.05803	3.5
179.10802	12.4
180.11104	1.4
181.12332	35.6
182.12627	3.6
195.10240	1.6
197.11717	2.9
199.13387	100.0
200.13699	7.6
215.12804	3.1
363.25470	5.8
381.11475	2.4
381.26492	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	382.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04922	0.6
57.03446	0.9
59.01379	15.0
61.67084	0.6
61.98826	4.9
69.03475	1.3
71.01383	11.3
71.54972	0.9
72.99308	1.9
73.02943	3.3
75.00875	16.7
83.01396	1.2
83.75677	0.6
85.02943	5.8
85.41665	0.6
87.00877	15.0
89.02445	6.5
95.01381	1.3
99.00900	1.3
101.02444	6.4
108.05235	0.7
113.02448	4.1
113.06161	0.7
115.05529	6.6
116.05064	2.7
117.01925	0.9
119.03477	1.7
122.06071	0.8
130.06631	8.1
132.04553	26.1
133.04878	1.7
144.04567	1.8
146.06093	1.0
151.07721	0.8
156.43971	0.7
158.06113	100.0
159.04498	0.8
159.06450	7.1
161.02501	0.9
161.04561	1.6
163.04024	0.8
171.01971	0.6
174.05594	3.6
176.07118	3.5
177.05556	1.1
202.05098	42.8
203.05452	2.6
203.10796	1.2
220.06157	10.7
221.04593	1.8
221.11794	1.3
237.06108	8.5
249.06165	11.4
249.08565	0.5
250.06480	0.6
262.07175	1.1
266.32214	0.9
296.31122	0.7
304.91992	0.7
382.11441	52.7
383.11749	6.3
383.20789	2.4
387.09143	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.2054
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
64.69726	0.7
77.24422	0.7
98.19913	1.2
106.77935	0.6
122.44743	0.6
149.77446	0.7
179.41296	0.7
278.74677	0.8
295.19193	0.8
313.47232	0.6
327.35046	0.7
380.20343	7.0
381.26566	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.2807
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
60.01700	1.5
70.55965	2.7
91.51546	0.8
152.99637	0.9
178.32545	0.8
272.84637	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.0955
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74731	6.4
59.01380	100.0
60.00907	6.9
61.98819	22.6
71.01376	51.8
72.99284	15.5
73.02945	19.6
85.02942	14.2
87.00875	11.5
89.02467	40.4
89.02918	8.7
95.01398	7.3
99.00864	18.0
100.04270	8.3
101.02437	41.1
109.02948	8.7
111.00840	8.4
113.02458	11.7
119.03475	16.9
120.99667	10.4
121.02928	9.9
127.98854	6.8
135.03046	9.8
143.07146	9.5
161.04539	14.6
161.05916	7.2
175.08812	12.2
182.97298	7.0
183.06300	6.7
203.08273	18.9
217.10782	9.5
223.49973	6.7
235.11859	27.9
265.99667	7.6
269.04315	6.7
348.86130	6.6
381.12189	13.5
381.17007	29.7
382.17395	20.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.0961
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	56.9
61.98837	60.4
70.66435	8.9
70.66811	8.4
71.01388	31.9
72.99307	4.9
72.99701	4.0
73.02945	8.2
85.02974	8.0
87.00878	8.7
87.02727	10.4
89.02451	63.3
90.18708	4.7
101.02438	24.1
113.02429	12.7
118.84579	4.4
119.03506	27.2
119.05037	5.4
135.04529	10.5
143.03412	4.7
147.04460	12.4
161.04541	9.3
165.05592	5.5
176.03476	8.4
179.05650	22.2
181.05037	7.8
181.07190	8.0
327.10834	6.7
343.12430	100.0
344.12796	11.0
345.12271	5.9
381.09518	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	381.1342
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28327	1.0
59.01380	100.0
61.98834	8.0
71.54850	1.3
77.64415	1.1
116.59769	1.0
120.71207	1.3
139.03937	1.1
183.16978	1.2
183.22072	1.2
258.56799	1.2
290.85950	1.2
291.06497	1.8
299.50253	1.3
306.08911	2.3
321.11331	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1411
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	1.6
59.96724	1.9
61.98809	5.3
71.54919	2.9
74.99078	27.3
75.96232	2.8
87.47910	1.4
91.02214	44.6
93.00127	12.1
118.10354	1.7
122.98750	1.9
129.04337	1.8
138.65454	1.5
152.99554	1.9
159.08472	100.0
160.08621	5.7
161.06441	14.3
171.05220	1.6
179.83954	1.9
192.33354	1.7
284.98026	1.7
377.58069	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	381.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
55.20312	1.2
59.01379	4.1
61.98833	12.4
70.66567	3.9
78.95911	2.9
99.70925	1.5
101.31991	1.2
101.52979	1.3
112.07980	1.4
146.96588	4.8
149.06059	1.3
151.07732	1.5
152.99606	2.3
170.05830	3.6
183.01236	2.4
197.74658	1.8
199.13359	5.0
233.19139	1.9
251.20172	3.0
262.22302	1.7
272.39154	1.6
277.18082	79.8
278.18408	11.8
279.19629	26.7
280.15564	1.4
280.19937	3.7
289.06601	1.5
295.19125	100.0
296.19434	11.8
297.15436	10.3
363.25351	19.5
381.26453	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	380.1562
Annotation	Zeatin 9-glucoside
Peak:m/z	Relative Intensity
55.01881	0.6
58.00580	0.8
59.01380	18.7
61.98804	0.7
70.66883	1.3
71.01382	38.6
71.05025	7.4
72.01719	0.9
72.99294	0.7
73.02942	2.2
83.01379	1.1
85.02956	3.3
87.00875	1.1
88.04037	4.6
89.02451	9.4
92.30933	0.6
99.04545	2.9
101.02444	8.9
111.16691	0.6
113.02441	4.8
116.03539	1.1
116.07162	1.6
119.03487	2.7
126.09270	0.6
128.07158	2.6
129.05556	0.7
144.46738	0.6
146.08229	66.2
147.06721	0.6
147.08580	2.4
161.04559	1.3
168.23856	0.7
172.81049	0.6
178.17639	0.6
200.09303	1.4
218.10332	1.2
238.57391	0.7
307.26779	0.6
308.13510	6.1
309.14154	0.6
355.09039	0.6
362.14514	3.1
365.44009	0.7
380.15598	100.0
381.15863	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	379.2853
Annotation	Persin
Peak:m/z	Relative Intensity
53.13295	0.3
55.09081	0.3
59.01360	0.7
63.47667	0.3
71.38646	0.6
78.72164	0.3
78.72584	0.3
96.96004	0.3
101.61715	0.3
113.47496	0.3
118.19857	0.3
120.88792	0.3
127.01084	0.4
149.07910	0.3
238.41779	0.3
277.65753	0.3
284.42667	0.4
294.08884	0.5
295.08823	2.0
311.47189	0.4
347.25876	9.8
347.30090	0.5
348.26196	1.5
363.14990	2.6
379.28522	100.0
380.28860	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	379.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.2
57.03445	1.9
58.00594	0.9
59.01379	19.8
69.03451	2.2
71.01379	13.6
72.99300	1.0
73.02946	4.6
83.01396	2.0
85.02946	4.7
87.00866	1.4
89.02444	6.0
95.01382	0.9
97.02951	0.9
99.00879	1.2
101.02445	8.6
109.09633	0.4
111.08118	0.5
113.02428	4.1
117.78141	0.4
119.03476	1.3
124.07636	0.4
127.11288	4.6
129.02029	0.4
134.03674	0.5
148.04041	0.7
150.03154	1.1
150.04260	0.4
153.09135	0.4
158.06076	0.9
161.04680	0.4
165.05534	0.6
166.05083	0.9
169.12357	0.7
171.10240	1.4
185.00841	1.0
188.13890	0.4
191.28734	0.4
199.13383	3.9
217.14433	28.4
218.14752	2.3
259.15363	0.4
261.17139	1.2
271.07126	0.4
317.11383	0.6
319.10522	0.5
337.21371	0.5
361.10306	3.2
361.18677	2.2
379.19690	100.0
380.20020	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	379.1973
Annotation	JBIR-57
Peak:m/z	Relative Intensity
55.01891	1.7
57.03454	0.7
59.01381	100.0
60.01719	1.4
69.03455	17.1
71.01384	11.7
73.02943	10.3
77.89191	0.6
79.01908	1.2
83.01385	3.2
85.02953	5.7
86.38979	0.7
87.00898	0.9
89.02443	1.6
92.06351	0.6
95.01397	1.8
97.02952	3.4
98.20636	1.9
99.00881	5.5
101.02448	10.0
111.00907	0.8
113.02454	4.6
113.09721	0.9
120.99685	1.0
132.29474	0.7
134.03766	1.0
141.01965	2.2
157.08698	18.0
158.09045	1.1
159.03006	1.1
161.04570	3.8
185.00905	8.8
193.05008	1.1
194.18881	0.8
208.02345	0.7
217.14555	1.1
251.05624	0.9
319.17551	3.6
361.18893	1.0
379.19708	72.3
380.20071	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	379.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
54.64377	1.1
55.01877	1.6
56.54042	1.0
57.03438	2.8
58.00584	3.4
59.01380	100.0
60.01703	1.4
61.98829	10.5
68.36253	1.1
69.03455	4.2
69.88515	5.1
71.01382	46.7
72.99315	6.1
73.02950	9.5
83.01392	3.7
85.02943	12.9
87.00916	2.8
88.98804	2.7
89.02445	59.4
90.02818	1.5
91.98399	1.1
95.01406	3.3
96.30800	1.1
97.02985	1.2
98.19968	1.5
99.00893	1.8
101.02445	25.3
113.02446	21.4
119.03500	23.4
125.09707	1.6
131.03540	1.6
139.11241	6.2
140.60323	1.2
143.03516	3.7
149.02434	2.8
149.04587	3.3
149.84071	1.1
150.03265	2.2
153.12857	8.5
161.04575	4.5
165.05554	2.0
179.05598	13.2
185.00851	1.2
187.09761	3.9
195.06674	1.5
199.13394	74.4
200.13776	6.4
319.17764	1.7
331.11865	1.5
361.18695	4.0
379.19754	41.3
380.20053	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	379.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50608	0.6
55.01874	0.7
59.01379	100.0
60.01725	1.5
61.30308	0.6
65.74662	0.6
69.03454	15.0
69.17332	0.6
69.30502	5.4
71.01389	6.2
72.99316	0.9
73.02942	14.5
83.01381	0.6
85.02940	3.3
87.00867	0.9
88.75388	0.6
89.02451	2.1
95.01373	1.4
97.02972	2.1
98.19897	1.3
99.00877	4.9
101.02440	4.7
112.61467	0.6
113.02465	3.4
113.09700	0.6
119.03450	0.7
125.02444	0.6
133.28108	0.6
134.03789	1.1
141.01947	0.8
157.08701	43.3
158.09021	3.0
161.04492	3.2
180.06709	0.9
185.00934	6.0
203.01935	0.9
217.14423	0.8
219.14915	0.9
238.45288	0.6
379.19730	23.8
380.19913	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	379.1147
Annotation	Unknow
Peak:m/z	Relative Intensity
56.78240	1.9
57.01691	2.4
59.01378	73.3
61.98835	10.1
68.75982	1.9
68.99810	5.2
69.03457	2.5
69.81221	11.4
71.01376	25.4
72.99310	4.0
73.02949	6.5
75.00878	3.7
80.05063	39.6
80.70852	2.1
84.04565	2.8
85.02953	6.3
85.06586	2.0
87.00890	4.1
87.04524	3.6
89.02438	13.6
97.06576	2.6
98.20604	3.1
99.00886	3.5
101.02430	19.3
104.05099	10.8
106.06622	4.2
108.04569	3.2
110.02544	2.4
112.04031	6.8
112.85905	2.1
113.02459	7.2
117.05608	3.7
119.03522	8.5
120.99646	15.7
121.05350	8.0
122.06130	36.3
124.04040	8.3
124.07685	11.3
129.05536	2.2
132.04555	39.2
134.06123	7.7
135.04526	17.1
137.09818	2.6
138.05656	2.7
140.07228	3.6
143.07149	3.5
148.04042	57.7
149.02377	2.5
149.04558	2.7
150.05606	49.4
151.06027	2.6
153.04338	3.8
159.02901	2.6
160.04056	4.8
161.04691	16.0
166.05095	3.7
176.03500	12.0
177.04266	5.4
178.05096	7.7
179.03548	5.0
181.05022	4.0
181.08696	4.6
182.06160	2.4
184.06180	7.2
192.01300	3.2
192.03018	51.4
193.03358	3.3
194.04585	100.0
195.04918	6.9
195.06606	2.3
200.07199	8.3
202.07202	3.0
212.10855	17.5
213.10425	3.7
217.10899	2.6
229.13554	2.4
230.11839	15.8
231.11310	11.5
240.09180	5.7
255.11383	36.1
273.12482	22.0
299.10355	6.5
317.11447	9.8
341.08801	3.1
343.09323	25.6
343.13501	4.4
344.09589	2.9
361.10440	31.5
361.14957	3.8
362.10764	3.9
379.11417	94.5
379.16101	25.8
379.19324	2.3
380.11691	10.4
380.16132	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	379.161
Annotation	3-Methyl-2-butenyl 6-O-alpha-L-arabinopyranosyl-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
55.01868	1.6
57.03441	1.4
58.00582	3.5
59.01379	94.7
60.01696	1.5
61.58819	0.9
61.98817	2.0
63.16819	0.8
69.03452	1.9
69.78682	5.0
71.01381	66.9
72.01683	1.0
72.99297	3.4
73.02950	18.1
74.99089	1.8
75.00873	0.9
83.01371	4.0
85.02512	1.2
85.02953	11.6
87.00866	3.0
89.02443	100.0
90.02779	1.9
93.03429	1.1
95.01386	2.7
97.02914	1.6
99.00881	21.3
101.02444	39.6
102.02715	1.0
113.02445	19.2
115.03967	1.5
119.03510	19.0
125.02422	3.7
131.03496	12.7
143.03464	3.2
143.07123	1.2
144.20044	1.1
146.05984	1.0
149.02556	1.6
149.04552	39.9
150.03236	1.7
151.03920	0.9
154.01439	1.9
155.10733	1.8
157.08623	2.2
161.04564	8.3
165.05537	2.3
179.05569	9.2
191.05612	10.5
217.10846	3.0
217.14386	1.4
219.12352	3.1
230.11804	1.2
233.06766	1.3
243.06435	0.9
247.11850	4.3
251.07689	2.8
261.13226	1.2
291.66544	0.8
339.87250	1.0
379.15945	32.3
379.19632	2.8
379.23846	2.0
380.16330	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	379.0671
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	5.6
57.11697	0.8
59.01381	60.5
69.03456	100.0
69.43581	1.7
69.43997	5.1
70.03784	2.1
71.01379	10.2
71.05018	0.9
72.99302	3.1
73.02965	4.5
74.13635	0.8
79.01891	5.8
83.01369	2.3
85.02947	6.1
87.00890	0.9
89.02418	1.4
95.01398	3.1
97.02956	16.6
98.20714	1.6
99.00880	27.9
100.01217	1.0
101.02447	8.3
108.67073	0.8
112.58082	0.7
113.02440	3.5
120.99628	1.4
128.72118	0.9
134.03735	6.1
141.01956	9.9
149.06102	0.8
156.93538	0.9
157.08710	5.4
157.09821	0.9
161.04475	2.1
174.76497	0.9
178.02632	1.1
183.56381	0.8
185.00916	37.1
186.01253	1.4
193.05122	4.4
203.01965	1.8
215.88217	1.0
217.14444	1.9
234.40230	0.9
319.17532	2.7
379.06549	2.4
379.19717	48.9
380.20093	4.8
398.72986	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1146
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12425	1.9
57.03443	3.0
59.01380	53.4
61.98829	7.5
68.99808	6.2
69.03439	2.3
69.58978	13.4
71.01377	21.1
72.99314	4.4
73.02941	6.5
73.28484	2.1
74.99077	2.3
80.05064	41.7
81.05446	2.1
85.02945	8.7
87.00876	3.7
89.02436	16.3
94.06664	1.8
95.05028	2.8
97.02947	2.3
101.02442	12.7
104.05065	15.0
106.06656	5.6
108.04569	3.3
110.02501	2.6
112.04011	6.4
113.02442	8.3
119.03474	6.0
119.04893	2.1
120.99624	4.3
121.02970	3.4
121.05332	6.7
122.06129	43.3
123.03223	2.6
123.04559	3.1
123.06454	2.9
124.04049	9.5
124.07716	12.9
132.03662	3.7
132.04547	41.0
134.03775	3.1
134.06096	6.2
138.05618	8.9
140.07179	4.5
143.07112	2.2
148.02931	4.0
148.04048	50.1
149.04390	3.3
150.05603	50.8
153.04260	2.5
160.04018	7.0
161.04797	17.7
166.05103	3.2
166.08783	3.2
168.06685	3.5
172.07689	2.5
174.05536	3.0
176.03516	15.9
177.04237	6.7
178.05061	9.1
182.06114	3.4
183.06900	2.7
184.06148	11.5
192.03020	48.5
192.06714	3.5
193.03296	4.0
193.04936	4.5
194.04575	100.0
195.05003	4.9
199.09695	7.1
200.07150	11.9
201.07698	2.0
202.07120	3.7
212.10822	19.3
213.10336	2.3
215.09390	2.3
217.10741	4.8
219.12222	2.0
221.03284	2.5
225.06567	3.0
226.07413	3.6
229.13432	5.3
230.11798	17.2
231.11365	14.4
238.58899	2.0
239.08163	3.8
240.09048	4.1
255.11374	44.2
256.11630	6.7
273.12439	30.7
299.10345	10.1
301.07529	2.5
317.11255	13.6
319.13876	5.8
331.11667	2.6
343.09274	34.8
343.12921	3.6
344.09918	3.8
361.10419	24.7
379.11349	73.8
379.16068	31.7
380.11560	8.4
380.15979	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	378.1532
Annotation	Unknow
Peak:m/z	Relative Intensity
56.10842	1.2
57.64956	1.0
59.01372	3.4
61.98828	100.0
69.22414	11.3
70.77627	1.1
71.01375	5.4
84.80709	1.1
101.98077	5.0
114.56408	1.2
127.07637	1.2
155.99132	3.0
159.76846	1.2
177.09160	1.5
181.59425	1.0
192.11549	4.7
193.12231	1.5
205.12352	2.8
220.14676	34.5
221.15437	57.9
222.15820	5.8
231.17438	2.4
236.10512	43.5
237.10947	4.2
275.16556	4.8
293.17545	11.1
294.18069	1.4
305.12494	5.6
306.13043	2.6
321.07437	2.1
353.78741	1.2
360.14240	8.1
378.15311	41.6
379.15884	6.2
379.20355	1.2
394.94656	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.1897
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	0.5
61.98832	100.0
69.78128	0.8
87.16422	0.2
91.31418	0.2
139.83437	0.2
217.72847	0.2
256.06866	0.4
293.21112	0.2
309.71759	0.2
378.18890	4.4
379.18890	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2307
Annotation	Unknow
Peak:m/z	Relative Intensity
54.95429	1.0
57.03413	1.4
59.01379	22.7
61.98825	2.9
63.39062	1.3
65.85916	1.1
68.65214	1.4
71.12209	1.4
71.12547	2.6
76.23558	1.1
77.58667	1.3
78.65540	1.1
95.05015	1.6
96.96016	4.9
101.02429	1.3
108.77872	1.1
109.13996	1.3
125.09724	1.3
150.54219	1.4
171.10271	32.5
172.10687	1.8
180.43956	1.2
243.21120	1.2
249.22200	1.6
265.14758	8.0
277.18851	2.6
277.21710	35.9
278.22110	6.4
295.22763	100.0
296.23172	13.4
317.20966	32.1
318.21259	3.5
335.20490	1.3
361.19910	3.6
377.08548	1.4
377.22934	24.3
377.27371	1.3
378.23120	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	378.1042
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21059	0.6
59.01384	3.0
61.98833	100.0
69.42962	4.2
70.99856	0.6
71.01399	2.4
75.10123	0.6
87.00938	0.7
89.02453	1.4
101.02480	0.9
107.19607	0.6
110.26225	0.6
113.02504	0.6
123.04490	0.8
153.05603	1.1
159.93086	0.6
167.03465	1.1
188.80084	0.6
189.35971	0.6
325.20462	0.7
379.16037	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	378.1403
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00586	2.6
59.01377	100.0
61.98829	14.0
71.01381	52.2
72.99298	4.5
73.02943	7.8
74.99090	1.9
75.00864	3.4
81.03448	1.9
85.02940	14.4
87.00885	4.1
89.02441	69.1
95.01404	2.7
97.06573	2.7
98.55267	1.6
99.00864	2.4
101.02450	26.0
102.02783	1.9
102.98618	1.8
113.02451	17.6
119.03500	24.6
120.99603	1.9
125.02447	2.2
126.09245	3.6
127.07652	3.7
128.10815	4.0
130.08734	46.7
131.03477	3.8
131.09045	2.3
135.04538	15.7
136.04837	3.5
143.03485	3.4
149.04474	2.2
153.01897	2.9
154.08727	66.5
155.09126	3.3
161.04547	5.7
172.09781	61.0
173.10222	2.5
177.60487	1.6
179.05646	9.5
194.04520	2.0
198.07831	1.8
214.10820	5.8
215.09187	4.6
216.09500	5.0
219.12277	2.5
237.25934	1.8
240.08699	1.7
246.93098	1.9
301.07196	2.4
318.20044	3.5
319.14102	2.2
336.20895	4.4
342.09250	2.7
378.14120	2.6
378.22104	5.4
379.11557	1.7
379.15820	9.6
379.23584	2.8
404.37393	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	377.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03368	4.1
57.03676	1.3
57.26456	0.7
58.00529	1.3
59.01300	36.0
59.01632	5.3
69.03374	2.2
69.35324	5.0
71.01295	8.0
71.04923	2.6
72.99251	1.2
73.02865	15.1
73.03301	1.6
75.00832	0.9
83.04939	2.7
85.02856	2.4
85.06487	2.0
86.86477	0.6
87.00803	1.5
87.04503	2.9
89.02451	3.2
89.02833	0.9
95.01351	0.7
95.04953	1.0
97.06499	2.8
99.04446	1.0
101.02349	2.8
101.06000	2.2
109.06567	4.0
109.07226	0.7
111.08162	5.5
113.02386	1.6
115.07642	3.8
119.03404	1.1
123.08066	2.1
125.05978	1.5
125.09644	0.9
127.07686	3.0
129.09097	1.9
133.04990	0.9
135.08080	0.7
137.09610	1.4
139.00275	0.8
139.07645	3.8
141.09212	4.6
143.03386	0.8
145.08604	1.5
151.00252	0.8
151.07610	1.3
153.09113	1.0
155.10672	2.4
159.10167	2.3
161.04404	1.1
167.10704	0.8
169.12209	1.1
175.14830	0.6
177.12750	0.7
178.99484	0.7
179.14392	0.7
189.11192	1.1
190.19128	0.8
203.12775	0.7
227.03563	3.3
227.16508	1.4
233.15497	1.4
251.16618	1.1
255.02954	5.8
256.03351	0.9
257.12817	1.4
259.15280	0.9
269.17337	0.6
271.19180	2.8
273.20660	7.4
273.23401	0.9
283.02484	1.5
284.03235	7.2
285.03760	2.6
285.14886	1.0
289.20084	2.3
296.07104	1.7
317.19684	30.8
318.19913	3.3
335.20740	100.0
336.21078	12.8
347.11304	0.6
377.09604	1.8
377.17795	4.3
377.21854	61.5
377.60239	1.7
378.17874	1.3
378.22180	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	377.1425
Annotation	Go 6976
Peak:m/z	Relative Intensity
51.04620	0.4
59.01382	1.0
61.98827	5.8
64.63573	0.4
67.13901	0.4
70.06119	0.4
84.82304	0.4
84.93858	0.9
99.92587	82.3
100.90531	0.6
100.92599	4.9
100.93372	3.7
115.92081	42.8
116.92860	100.0
117.92878	6.2
117.93653	0.7
204.42625	0.4
228.98938	0.5
269.04886	0.6
277.21671	1.8
282.05890	0.5
290.06293	1.2
308.07251	2.5
309.07901	0.5
315.14203	0.8
333.15335	1.0
359.13214	1.3
371.09512	0.6
373.11157	3.1
374.11353	0.7
377.14246	39.7
378.14481	6.8
391.12250	4.6
392.12375	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21375	1.0
53.57473	0.9
57.03447	6.2
58.00588	2.9
59.01381	69.6
60.01727	1.1
61.94086	0.9
61.98841	3.0
69.03459	2.7
69.36183	0.8
71.01385	20.8
71.05011	4.4
71.54553	1.4
72.99310	1.8
73.02946	100.0
74.03276	1.7
82.02991	0.9
83.01413	1.9
83.05043	4.6
83.84304	0.9
85.02957	7.3
85.06590	1.7
87.00882	2.3
87.04514	3.1
89.02448	23.7
95.01379	1.8
95.05022	2.5
97.06584	3.6
99.00881	1.6
99.04552	1.4
99.08200	1.2
101.02436	14.4
101.06086	3.6
108.52638	0.8
109.06602	3.3
110.37949	0.9
111.04497	1.2
111.08155	3.0
113.02445	9.3
113.06073	2.0
114.57394	0.9
115.02378	0.8
115.07647	3.0
119.03504	10.2
121.06582	1.2
123.08153	4.2
125.06104	1.2
125.09752	1.2
127.07646	1.7
129.09253	2.2
135.08128	1.6
137.09682	1.9
138.05690	1.0
139.07651	2.0
141.09200	2.6
143.03445	1.3
143.10774	3.4
145.08710	1.3
153.09215	3.1
155.10788	2.2
159.10265	1.6
161.04553	2.2
162.88506	0.9
167.10742	1.3
169.12338	1.8
171.10204	1.3
173.11844	3.2
179.05644	4.6
185.11859	1.2
191.14430	1.2
194.76089	0.9
215.09196	1.8
215.12788	1.1
217.14456	2.5
227.16537	1.7
253.17964	1.2
259.11877	1.0
259.15524	2.2
271.19153	2.4
273.20660	2.9
274.80017	0.9
289.20291	2.4
299.18610	3.1
303.14496	3.1
317.19669	60.2
318.20056	7.1
334.06827	0.9
335.20734	95.4
336.21030	11.1
347.07837	1.5
377.08701	2.7
377.18057	64.8
377.21902	48.2
378.18207	8.7
378.22824	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	377.0877
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.7
56.66443	1.2
57.03442	3.2
59.01379	55.0
59.33434	1.2
68.99810	5.3
70.27487	4.5
71.01382	21.5
72.99306	22.7
73.02950	11.8
75.00866	1.5
83.01380	12.2
83.72776	1.5
84.73532	1.3
85.02955	12.6
87.00880	22.4
89.02444	3.7
95.01369	2.6
96.99319	1.5
97.02926	1.9
98.19958	1.8
99.00888	14.3
101.02457	15.0
102.98570	3.0
103.05529	3.5
111.00882	18.9
113.02456	8.7
115.00367	19.8
118.78556	1.3
119.04996	2.9
129.01917	7.0
139.00374	26.7
144.27510	1.7
147.04520	100.0
148.04826	6.5
157.01421	63.5
158.01709	1.6
161.04543	1.5
162.05588	3.3
215.03441	2.1
215.12807	2.7
238.07072	2.3
300.60410	2.0
301.11270	1.8
305.06702	12.6
335.20630	2.2
339.13812	1.4
341.10538	1.5
356.97604	1.4
376.27808	3.6
377.08649	2.8
377.17810	1.6
378.67456	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.174
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84945	0.4
59.01372	0.9
61.98832	100.0
69.26148	3.7
76.72440	0.4
77.85806	0.4
184.48737	0.4
242.56964	0.4
291.19794	0.6
313.17932	0.6
376.17203	2.1
392.73587	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.0878
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19365	1.5
55.01882	2.7
57.01358	1.7
57.03437	4.9
59.01381	16.8
59.73840	1.6
66.70387	1.7
68.99816	8.9
69.03426	2.6
69.30997	16.4
71.01385	18.0
72.99309	26.5
73.02949	8.3
83.01379	10.8
85.02953	8.5
87.00872	21.6
87.27924	1.8
95.01340	2.3
98.42049	1.9
99.00875	12.5
101.02451	8.5
103.05524	6.3
111.00867	17.3
113.02411	6.9
115.00360	21.3
127.00392	1.8
129.01907	5.6
139.00377	29.4
147.04518	100.0
148.04851	6.3
157.01416	75.8
158.01717	2.3
165.05542	2.3
169.12521	1.8
275.12878	2.5
305.06628	20.8
305.13904	5.8
315.90408	2.0
376.27512	2.5
377.08490	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	377.0877
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	2.4
57.03437	3.2
59.01381	15.2
65.30775	1.2
66.73972	1.2
68.00240	1.1
68.46664	1.0
68.99811	5.6
69.84566	3.7
69.84975	2.8
71.01379	11.9
72.99310	26.7
73.02962	8.3
83.01387	9.9
85.02955	8.8
87.00882	22.4
95.01418	2.5
97.75996	1.1
99.00880	14.6
101.02435	8.4
103.05541	5.1
104.06800	1.3
111.00874	21.0
113.02441	5.9
115.00383	23.9
119.05007	3.4
120.13892	1.1
127.00367	2.2
129.01936	6.7
139.00383	28.5
140.00623	2.0
147.04524	100.0
148.04892	6.2
157.01419	64.1
158.01741	1.8
161.06070	1.9
272.49643	1.4
305.06653	18.1
306.06976	1.2
316.48029	1.2
329.10193	1.2
376.27856	13.3
377.08749	2.3
377.28119	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	375.2152
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72729	1.4
59.01382	42.5
61.98823	3.3
63.45578	1.3
71.14865	3.4
89.50400	1.5
95.05010	2.6
99.92603	1.6
121.10247	30.7
122.10560	1.4
125.09739	1.6
146.96590	1.6
171.10268	70.4
172.10599	6.3
185.11754	1.7
197.12088	1.5
202.26617	1.5
207.09961	2.3
215.38354	1.5
231.21220	4.0
275.20142	100.0
276.20407	11.8
278.11340	10.8
293.21228	85.1
294.21536	8.4
315.19400	40.6
316.19672	7.5
329.17511	2.6
359.18311	5.8
375.21445	34.1
376.21585	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	375.2751
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	1.5
58.99626	0.2
59.01381	1.9
61.98816	0.2
68.14198	0.2
69.03465	0.3
71.01382	0.7
71.05042	0.3
73.02940	0.6
83.01382	0.3
83.05020	1.5
85.02947	0.5
85.43562	0.2
87.00889	0.5
87.04520	2.0
97.06635	0.4
98.20770	0.3
99.00894	0.5
101.02422	0.3
101.06068	0.4
102.98616	0.5
109.06615	0.3
111.00795	0.2
111.08147	1.3
113.02482	0.2
119.05031	0.6
123.08163	0.5
125.09722	0.8
127.00347	0.5
127.11292	0.7
129.09074	0.2
137.09712	0.5
139.00394	0.2
143.05339	0.3
143.10811	0.3
145.05064	0.7
151.83441	0.2
154.99873	0.8
155.10805	0.7
157.12297	0.5
163.04010	0.3
171.10332	1.4
173.08185	1.1
185.11844	0.4
201.11319	0.6
215.12907	0.3
241.21844	0.2
247.11861	0.4
251.20010	0.3
257.13934	0.2
257.21313	0.8
265.17990	0.4
267.19510	0.2
269.21194	0.8
270.21405	0.2
271.19064	0.5
285.20706	2.1
293.21262	0.2
309.24194	0.3
311.22229	1.0
327.21606	0.7
327.25458	1.2
329.23303	5.5
330.23526	0.8
333.09781	0.3
333.22870	0.3
339.25497	1.0
341.23251	0.6
343.24750	0.6
345.26535	0.3
355.24927	0.7
357.26437	4.9
358.26712	0.8
373.25974	2.2
375.27487	100.0
376.27820	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	375.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14835	0.6
54.30234	0.5
55.01880	1.4
57.03446	1.2
58.00588	0.6
59.01379	100.0
60.01725	1.4
67.66582	0.5
68.99812	0.7
69.03448	1.1
69.51328	3.5
69.51752	1.1
71.01379	13.7
72.01714	0.8
72.99325	1.3
73.02949	5.4
83.01387	2.9
85.02956	6.2
87.00882	1.6
89.02441	6.6
95.01410	2.0
97.02969	1.0
99.00889	2.5
101.02444	12.2
102.98584	3.4
110.74461	0.6
111.00896	1.6
113.02448	6.5
119.03526	1.9
119.05027	5.7
123.08144	1.0
125.02387	0.7
136.99138	0.6
143.03481	1.0
159.02992	1.2
161.04535	5.8
163.03993	4.3
169.12317	1.1
171.10313	0.9
171.13959	1.7
213.05539	6.3
214.05937	0.9
229.03598	2.2
315.18323	1.2
333.19156	15.2
333.22440	1.0
334.19659	2.2
375.07294	2.6
375.19977	0.9
375.23868	1.7
375.27643	14.3
376.27948	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	375.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.1
57.03435	1.2
58.00583	1.6
59.01380	50.2
60.01691	0.9
61.98835	0.9
71.01379	26.5
72.99300	2.3
73.02945	1.4
73.15698	0.5
75.84569	0.5
83.01382	2.2
85.02957	6.1
85.06084	0.7
87.00871	1.4
89.02443	23.1
95.01380	2.9
99.00883	0.9
101.02438	15.8
112.86308	0.5
113.02438	7.4
119.03503	7.0
119.05006	0.9
127.00364	0.6
131.03618	0.5
147.04482	0.6
154.99825	0.9
163.03986	1.0
195.13907	9.8
196.14264	0.5
213.14905	3.7
357.19302	0.8
375.20221	100.0
375.27130	8.3
376.20575	12.8
376.27771	1.2
386.86682	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1939
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47447	0.9
55.55261	0.9
59.01377	17.7
71.55167	1.2
75.00867	1.5
87.00842	0.9
93.23808	1.0
94.60457	0.9
96.96003	1.4
97.93131	12.2
98.90704	1.9
101.09379	0.9
113.92628	7.4
114.93422	15.9
133.40831	1.0
162.11240	1.1
167.04153	1.0
231.06166	1.0
265.16110	1.0
277.21704	100.0
278.22049	12.4
286.05057	1.0
293.17715	1.3
312.21341	0.9
320.54291	1.0
324.48795	0.9
339.19772	1.0
375.15005	4.8
375.28836	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	375.1848
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94350	0.6
62.78278	0.6
65.61201	0.5
69.71540	4.0
69.95724	0.6
71.03615	0.6
74.99078	3.5
98.19952	0.8
149.00986	1.0
159.08473	11.1
160.08669	0.6
161.06427	2.3
192.98224	1.1
209.01283	2.7
217.07164	1.4
277.07547	1.6
289.07562	1.6
291.09097	100.0
292.09229	14.9
357.13852	1.9
358.13904	0.9
359.15335	98.3
360.15482	19.4
375.18518	4.1
376.18744	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1787
Annotation	Unknow
Peak:m/z	Relative Intensity
56.21690	1.1
59.01379	7.8
61.98830	4.3
66.45619	1.0
69.68549	6.9
71.01388	12.7
80.91660	1.4
122.07193	1.4
127.00432	1.2
127.07698	1.3
146.48059	1.1
177.09195	5.6
189.92981	1.7
190.10002	4.4
192.11519	8.8
193.12074	2.2
205.12343	5.3
207.13866	1.7
218.09416	1.7
220.14684	40.4
221.15445	100.0
222.15816	9.1
235.13341	1.9
236.10539	92.3
237.10847	7.8
293.17593	41.3
294.17825	5.9
318.09610	6.1
358.09061	1.2
360.07465	1.4
375.17953	9.2
376.17563	1.4
386.72446	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1847
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78973	0.6
57.17128	0.8
61.34251	0.8
66.20718	0.6
68.23666	0.7
70.27854	3.1
70.28185	0.6
74.99077	3.0
80.61382	1.0
81.89293	0.6
88.82804	0.8
90.58462	0.6
143.05376	1.3
159.08455	10.8
161.06415	3.0
161.47888	0.6
192.98193	1.0
209.01270	1.6
217.07182	1.2
275.05988	1.1
277.07520	3.0
289.07486	1.7
291.09097	97.1
292.09229	16.1
357.13721	1.6
359.15329	100.0
360.15494	18.9
375.18475	4.7
375.28845	1.1
376.18533	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.166
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56746	1.0
55.01875	3.1
55.96117	1.0
57.03442	2.4
58.00587	4.7
59.01377	100.0
60.01717	1.6
69.03445	1.8
69.53063	7.4
71.01380	46.2
72.01704	1.2
72.99302	3.5
73.02953	1.6
73.32619	1.1
81.58129	1.1
83.01381	3.0
83.05003	1.2
84.22749	1.1
85.02953	11.4
87.00877	2.6
89.02445	53.3
90.02805	1.2
95.01381	4.1
95.05033	6.3
97.02951	1.9
97.06573	2.4
101.02438	24.4
107.05039	7.2
113.02459	18.3
113.06036	1.3
115.07649	5.0
119.03506	20.7
123.08130	1.2
131.03458	1.8
134.03690	1.5
136.05235	1.6
138.98787	1.0
139.11241	5.0
143.03490	2.2
149.09775	2.1
151.11278	41.9
152.11610	2.5
161.04494	1.8
163.03993	1.6
164.08559	1.1
167.10780	2.5
169.12317	6.1
177.09212	4.7
179.05632	3.4
180.07693	1.0
185.11824	4.2
193.12289	4.8
195.10269	71.4
196.10648	5.1
197.11768	1.3
211.13396	4.3
213.11317	15.0
225.13326	1.2
241.61580	1.1
255.85684	1.2
333.19135	1.5
375.07404	1.8
375.16409	2.1
375.23709	2.5
375.27499	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	375.1296
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72021	0.8
57.03432	0.9
58.00585	2.3
59.01379	20.5
61.98830	9.7
64.16589	0.9
65.17480	0.8
69.36329	1.7
69.36732	5.7
71.01390	8.9
72.97517	1.6
72.99306	2.3
73.02928	2.0
74.99085	1.7
78.95916	1.3
79.82356	0.9
80.91648	1.1
83.01406	2.1
85.02968	4.4
87.00884	10.9
88.01238	1.3
89.02441	2.9
93.03458	1.0
95.01408	0.9
98.19851	1.4
99.00885	2.5
101.02442	4.3
108.02168	1.2
109.02944	1.8
111.00882	3.1
113.02444	3.1
115.00323	1.2
117.03500	1.0
119.03459	1.2
121.02963	3.5
122.03726	2.1
122.06056	1.0
123.04545	2.0
125.02395	1.6
127.00373	3.2
129.01927	2.9
133.02950	1.0
136.04010	2.8
137.02417	2.1
141.01944	1.8
143.03545	1.0
145.02960	5.2
146.03748	1.4
149.02437	43.1
150.03230	54.5
151.03810	3.4
151.07501	1.1
152.07074	1.1
153.01857	1.5
153.05573	6.1
157.01427	1.6
159.02988	0.9
161.02434	4.2
161.04587	4.1
162.03215	3.7
163.03934	1.5
164.04788	17.8
165.05569	100.0
165.28496	0.9
166.05949	6.4
175.02512	1.4
177.05508	5.1
179.03477	1.2
180.04268	4.8
195.06624	24.8
196.06894	1.6
207.06586	1.1
213.04153	0.9
213.07755	1.8
239.07431	1.2
239.14853	0.9
249.28763	0.9
327.10837	4.8
375.09164	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	375.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	2.2
57.03429	3.6
58.00600	2.0
58.80729	1.0
59.01378	44.0
60.33009	1.1
69.03437	2.1
69.25286	7.4
69.25691	1.9
71.01378	30.8
72.99301	2.2
73.02939	3.9
76.83015	1.2
83.01372	3.4
84.85632	1.1
85.02953	7.6
87.00876	3.7
89.02441	20.2
95.01377	3.1
95.05025	6.9
97.06594	3.4
98.03750	7.1
99.00865	2.0
101.02438	14.7
102.98583	4.2
107.05019	9.5
113.02448	9.5
119.03519	8.5
119.05013	4.5
125.02478	1.2
125.40833	1.1
133.12730	1.3
135.98366	1.5
143.03494	1.2
149.09673	4.3
151.11278	93.2
152.11617	6.0
154.10019	2.5
154.99854	1.2
158.62172	0.9
161.04524	2.4
163.03957	4.6
168.70012	1.1
169.12355	14.5
195.10249	100.0
196.10567	7.5
229.03499	3.2
251.14743	1.3
269.15735	1.5
375.07370	2.1
375.18634	7.6
375.27536	7.2
376.18936	1.4
376.27942	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1296
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10534	0.9
59.01380	100.0
61.98824	4.1
70.01073	3.2
71.01380	4.7
73.02946	1.4
74.99116	1.6
83.01400	1.0
85.02945	1.5
87.00857	2.2
98.19917	1.2
101.02444	1.7
107.04978	1.3
113.02433	1.9
119.03515	1.1
119.10979	0.9
120.02198	1.7
138.03227	6.1
149.02458	1.0
151.07610	1.0
153.05574	65.4
154.05945	3.1
158.29149	1.0
161.04526	4.1
172.85359	0.9
175.62810	0.9
179.03514	1.7
180.04346	1.3
195.06635	2.5
201.68549	0.9
212.90575	0.8
375.09103	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.291
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80844	2.2
59.01382	100.0
61.98835	11.8
64.21170	2.2
68.08041	2.1
69.43661	16.5
70.44687	2.4
98.20620	4.9
133.36594	2.0
141.73039	2.3
146.96623	3.0
217.00195	3.3
226.65828	2.6
264.80475	2.3
314.26846	3.4
333.41342	2.3
374.24384	6.7
396.67807	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	374.9921
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01128	0.3
51.57171	0.3
54.01648	0.3
59.01378	66.3
60.01714	1.1
61.98844	2.1
69.30315	3.3
90.97147	1.3
109.34644	0.4
114.98901	0.7
118.96609	0.8
119.75504	0.3
120.51019	0.3
132.41576	0.4
132.98186	2.2
156.99916	0.7
171.97389	0.6
172.97462	0.6
174.99245	27.4
175.99539	0.8
187.04865	0.4
201.02551	1.8
202.02628	0.6
217.00291	100.0
218.00612	4.6
229.28943	0.4
232.99562	0.5
314.98676	0.4
319.94055	0.4
374.99261	6.1
385.20505	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1083
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90552	0.9
52.52861	0.9
57.03426	2.8
59.01383	19.6
68.99796	1.0
69.03455	3.0
69.18214	6.6
69.18639	4.2
71.01380	7.1
71.05010	1.7
72.99301	1.3
73.02942	5.2
73.36813	1.0
75.00854	1.5
81.03429	1.6
82.73432	1.0
83.01379	3.6
83.05013	2.1
85.02948	2.2
87.00894	1.4
87.04523	2.3
89.02449	3.5
90.58456	1.0
93.03419	1.9
95.04999	1.8
97.02945	1.8
97.06588	1.4
101.02433	2.3
101.06058	1.6
102.98597	1.7
109.02930	1.9
111.00880	3.3
113.02466	0.9
119.03412	1.0
119.05033	21.0
120.05361	1.1
121.02910	3.5
123.04520	1.3
123.08107	1.4
125.02392	1.5
127.07686	1.4
135.04526	1.5
137.02446	1.3
141.09239	1.7
143.95465	1.0
145.02937	2.4
149.02449	1.6
150.03166	1.0
151.11220	1.3
153.09151	1.2
163.03996	20.1
164.04340	2.0
167.03464	1.3
169.01431	2.5
169.06606	5.1
171.89841	1.2
175.03934	1.3
178.01424	1.1
183.08064	1.2
185.06110	3.1
197.06064	9.9
198.06812	3.3
199.07642	1.3
205.05115	1.4
211.07643	10.2
212.08174	2.4
213.05832	1.3
213.09221	2.6
213.11240	1.7
214.10001	5.5
215.07211	1.3
215.12772	1.2
227.03493	1.2
227.07191	1.6
229.03496	3.9
230.09630	1.2
241.08653	4.9
242.09485	76.8
243.09865	7.4
243.12006	1.5
245.13927	1.3
246.08925	3.2
257.08099	2.2
257.11746	4.5
257.13901	1.9
258.08881	2.7
271.19104	1.7
273.11264	1.2
285.07706	1.9
286.08472	37.5
286.43320	1.1
287.08902	3.7
297.17267	1.3
301.10800	100.0
302.11136	12.4
310.33356	1.1
315.18130	9.8
331.11844	3.3
333.15396	1.0
333.19183	20.7
334.19537	2.6
337.10449	1.2
357.18869	1.1
375.07205	7.2
375.16019	3.4
375.20209	13.6
375.24484	2.1
376.20410	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	7.0
55.02107	1.1
57.03454	6.0
58.00586	2.5
58.99591	2.5
59.01379	69.7
60.01718	1.6
68.99799	1.3
69.03451	2.2
71.01383	100.0
71.05016	1.4
71.55984	1.7
72.01712	2.7
72.99314	6.1
73.02550	2.2
73.02947	37.6
73.98306	1.3
74.99094	33.1
75.00867	3.7
75.99060	1.1
77.42459	1.0
83.01387	12.2
83.05026	2.0
85.02953	50.5
86.03265	1.6
87.00878	5.9
89.02443	13.4
95.01385	8.3
97.02946	3.6
99.00877	12.5
99.04521	1.8
101.02444	68.8
102.02782	2.0
102.98598	15.3
104.98175	2.1
111.00832	1.4
113.02452	43.6
119.03490	2.9
120.99641	2.8
121.02903	1.0
122.99173	1.1
123.04560	2.2
125.02477	6.4
125.09746	1.4
129.01941	2.5
135.04451	1.3
135.98317	1.6
136.05281	1.6
136.98111	2.1
136.99142	29.4
137.09709	1.4
141.01895	1.0
143.03482	3.3
150.13167	1.1
153.12799	2.5
155.10701	1.1
159.03015	9.3
161.04552	41.9
162.04909	2.0
163.00735	1.0
163.11206	1.5
165.12857	3.9
167.10768	1.1
169.12320	1.9
175.11192	2.9
177.12820	1.7
179.10800	7.2
184.85814	1.0
193.12337	17.5
194.12560	1.5
197.11810	2.9
209.11829	4.4
211.13365	1.3
211.17033	4.6
213.11284	2.8
221.11780	3.6
237.09030	2.2
237.11302	31.9
238.11806	2.0
238.36058	1.1
241.61525	1.0
243.14232	1.3
255.12534	1.3
267.14307	1.4
285.15240	1.8
313.16583	1.4
327.14285	6.5
328.14105	1.1
331.17572	2.2
337.12955	1.3
355.13959	9.3
356.14114	1.3
373.14746	14.1
373.22217	9.0
373.25967	13.1
374.15714	1.1
374.22385	2.3
374.26486	1.9
386.22540	1.1
392.43393	1.3
394.82236	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2594
Annotation	oscr#24
Peak:m/z	Relative Intensity
53.75174	0.4
55.01858	0.4
57.03455	2.2
57.03680	0.4
57.67027	0.4
59.01375	3.0
61.98820	0.8
69.03443	0.4
71.01366	1.6
71.55439	0.5
72.99293	0.7
73.02942	1.1
79.41240	0.4
87.00882	0.7
110.02457	0.5
111.08136	0.7
123.08168	1.3
125.09715	3.3
127.00390	0.6
127.11274	1.9
137.09703	2.0
141.09296	0.5
143.10780	0.6
146.01279	0.5
153.09187	1.0
153.12830	0.8
155.10840	2.3
171.10262	11.7
172.10603	0.6
192.74088	0.5
201.15021	0.6
201.17009	0.4
205.37546	0.4
229.14426	0.7
230.15186	0.9
231.34164	0.5
285.15323	1.3
327.21790	0.7
355.24783	1.7
371.24332	1.7
373.25916	100.0
374.26303	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	374.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
54.91610	0.2
59.01380	1.3
60.46572	0.2
61.98828	1.0
67.08950	0.2
69.94543	1.1
100.07663	0.4
101.06130	1.0
124.07682	0.7
128.45009	0.2
189.10315	0.7
217.00308	0.3
232.10907	10.4
233.11192	0.6
272.17548	0.3
289.17886	1.9
290.18713	3.0
316.16556	1.6
318.18292	0.5
358.21255	0.9
374.24469	100.0
375.24844	15.5
375.29843	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1995
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	2.2
59.01376	21.7
61.98821	1.6
69.25790	15.4
71.01389	2.0
73.57775	1.3
82.94798	1.2
83.81449	1.4
87.00837	1.6
89.94899	1.7
93.03423	2.0
121.10242	18.6
125.09707	8.1
147.61984	1.4
169.40396	1.4
185.11797	13.3
197.11842	2.7
207.09985	4.8
212.66745	1.4
245.19067	8.2
291.19662	65.3
292.19843	8.7
313.17847	100.0
314.18149	12.8
344.97488	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	3.9
57.03443	3.1
58.00601	1.0
59.01379	100.0
60.01712	1.9
68.99825	2.6
69.03455	36.7
70.03806	0.8
71.01382	37.2
72.01704	1.0
72.99302	2.7
73.02949	14.0
74.99097	2.2
75.00906	1.0
79.01896	2.4
81.03452	0.6
81.83207	0.6
83.01389	5.6
83.05037	1.2
85.02950	17.9
87.00883	2.1
89.02437	4.9
95.01392	4.4
97.02944	7.9
97.06603	4.0
97.07140	0.7
99.00888	14.4
101.02444	28.0
102.02795	0.9
102.98653	0.7
111.00920	0.8
111.04519	2.8
113.02450	15.3
113.06103	0.9
117.03470	1.2
119.03537	1.9
120.99645	7.7
122.06140	1.7
125.09702	1.2
127.07675	2.0
129.01959	1.0
132.04558	13.9
133.05028	0.8
134.03767	1.3
136.01663	1.9
136.60770	0.7
136.99165	1.8
137.02486	1.0
141.01965	3.4
141.05563	1.5
143.03470	1.1
151.04042	1.9
152.07167	4.3
159.03012	3.8
161.04565	13.3
164.07141	3.4
165.12941	0.7
185.00909	23.3
186.01207	1.2
187.09801	2.4
195.13881	0.7
207.14258	0.7
207.62727	0.7
211.17137	1.0
216.10219	0.7
225.09213	2.7
225.11211	1.2
241.08571	0.7
243.12280	0.9
255.12361	1.8
255.93681	0.8
269.08255	1.9
269.12482	0.8
287.09314	1.3
297.12415	4.1
311.09506	0.9
313.16592	2.9
329.15100	3.1
331.17581	4.3
357.14389	0.8
373.10977	1.7
373.15036	3.1
373.22495	3.9
373.26306	1.1
374.15558	1.0
374.37747	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69009	1.0
55.01873	3.4
55.78127	1.1
57.03437	4.0
58.00590	3.6
59.01381	53.5
62.29200	1.1
64.36011	1.1
65.03026	1.0
66.09898	1.1
69.03446	5.1
71.01006	2.0
71.01384	36.6
71.54905	1.6
72.99294	4.0
73.02941	13.8
73.14387	1.0
74.99092	5.1
75.00877	2.2
79.05528	3.7
81.03468	1.2
83.01406	7.6
83.04994	1.1
85.02948	19.5
86.00094	2.1
86.38084	1.1
87.00854	5.8
89.02431	10.8
93.07054	1.5
95.01385	3.7
95.05028	2.8
97.02932	3.4
97.06576	2.2
99.00866	6.0
101.02443	36.9
102.02792	1.4
107.05040	1.8
109.02953	1.3
109.06554	1.6
111.00855	1.9
111.04507	1.7
111.08131	3.9
113.02441	11.5
119.03482	2.7
120.99654	3.5
123.08122	3.0
125.09676	2.2
131.03500	1.1
131.29845	1.1
135.03049	1.3
135.04535	3.7
136.99179	2.5
137.02443	3.2
137.06093	1.4
139.07639	2.3
141.01895	4.0
143.03529	1.3
146.06097	2.9
150.03156	1.7
151.04060	2.8
152.04752	1.6
161.04556	2.4
163.04008	3.5
164.04738	1.7
165.05574	2.1
167.10779	2.5
178.06339	1.8
181.03448	1.7
181.05057	20.8
182.05518	1.6
185.00989	1.9
187.09761	4.8
193.08611	1.8
196.07387	24.5
197.07991	3.3
199.12996	1.2
204.06725	2.0
207.05263	1.7
210.05359	1.7
211.07715	2.8
211.09749	53.9
212.10118	3.7
225.07722	1.6
243.06897	3.2
255.08530	1.4
255.12389	5.0
285.12039	1.3
313.16541	6.0
329.15094	3.5
331.17581	11.8
358.12756	7.0
373.14926	100.0
374.15298	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	373.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69009	1.0
55.01873	3.4
55.78127	1.1
57.03437	4.0
58.00590	3.6
59.01381	53.5
62.29200	1.1
64.36011	1.1
65.03026	1.0
66.09898	1.1
69.03446	5.1
71.01006	2.0
71.01384	36.6
71.54905	1.6
72.99294	4.0
73.02941	13.8
73.14387	1.0
74.99092	5.1
75.00877	2.2
79.05528	3.7
81.03468	1.2
83.01406	7.6
83.04994	1.1
85.02948	19.5
86.00094	2.1
86.38084	1.1
87.00854	5.8
89.02431	10.8
93.07054	1.5
95.01385	3.7
95.05028	2.8
97.02932	3.4
97.06576	2.2
99.00866	6.0
101.02443	36.9
102.02792	1.4
107.05040	1.8
109.02953	1.3
109.06554	1.6
111.00855	1.9
111.04507	1.7
111.08131	3.9
113.02441	11.5
119.03482	2.7
120.99654	3.5
123.08122	3.0
125.09676	2.2
131.03500	1.1
131.29845	1.1
135.03049	1.3
135.04535	3.7
136.99179	2.5
137.02443	3.2
137.06093	1.4
139.07639	2.3
141.01895	4.0
143.03529	1.3
146.06097	2.9
150.03156	1.7
151.04060	2.8
152.04752	1.6
161.04556	2.4
163.04008	3.5
164.04738	1.7
165.05574	2.1
167.10779	2.5
178.06339	1.8
181.03448	1.7
181.05057	20.8
182.05518	1.6
185.00989	1.9
187.09761	4.8
193.08611	1.8
196.07387	24.5
197.07991	3.3
199.12996	1.2
204.06725	2.0
207.05263	1.7
210.05359	1.7
211.07715	2.8
211.09749	53.9
212.10118	3.7
225.07722	1.6
243.06897	3.2
255.08530	1.4
255.12389	5.0
285.12039	1.3
313.16541	6.0
329.15094	3.5
331.17581	11.8
358.12756	7.0
373.14926	100.0
374.15298	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	373.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	2.0
57.03439	2.4
58.00580	1.6
59.01104	1.4
59.01382	19.3
69.53121	5.7
71.01380	20.1
72.99299	2.3
73.02950	6.3
74.99097	17.0
83.01376	4.1
83.05022	1.1
84.02173	1.8
85.02953	8.7
86.00051	0.8
87.00829	1.0
89.02438	3.4
95.01386	1.3
97.06551	1.5
97.70470	0.8
99.00893	2.8
99.54638	0.9
101.02441	13.9
109.06561	1.8
111.04538	2.1
113.02450	7.5
119.17861	0.9
121.06580	2.5
123.04568	1.4
123.08211	1.2
125.02441	5.6
125.09695	1.3
129.41153	0.8
135.04524	3.5
135.11810	1.3
136.05307	5.7
136.99146	15.9
137.09732	1.9
147.11786	1.7
149.06107	1.5
149.09711	2.1
149.37529	0.9
151.11272	1.0
152.04810	2.9
153.09265	1.6
153.12817	1.3
155.10803	0.8
159.03043	2.3
161.04576	6.9
163.11276	3.5
165.12810	9.3
175.11298	7.2
177.12804	3.5
178.09959	3.0
178.13148	0.9
179.09155	1.1
179.10773	24.3
180.11092	2.0
181.12338	1.1
191.10643	1.0
193.12328	51.7
194.12651	4.3
197.11865	1.6
203.10794	2.0
205.12358	1.6
209.11861	7.4
221.11844	8.2
231.10289	2.0
233.11737	1.8
237.11308	100.0
238.11664	9.3
249.11307	3.1
277.10809	2.0
309.13153	1.2
327.14453	30.5
328.14798	3.3
337.12845	5.2
355.13919	29.0
356.14374	3.6
370.65619	0.8
373.15036	30.3
373.22250	1.4
374.15253	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	373.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	3.9
58.00581	3.4
59.01382	66.7
69.32523	14.0
71.01387	17.0
72.99287	3.2
73.02949	7.8
84.02176	6.0
85.02950	7.6
86.12553	2.2
89.02448	6.3
90.14085	2.3
95.05043	2.5
96.68214	2.3
97.06583	2.1
99.00859	3.5
99.04487	2.4
101.02450	7.3
102.98620	1.9
111.04510	4.5
113.02456	5.2
113.09717	5.2
123.04539	3.7
125.02409	12.9
125.09745	5.2
127.00393	2.0
129.41418	2.4
135.04596	3.0
135.08023	2.7
135.11810	3.9
135.98320	2.9
136.05261	7.0
137.09688	7.5
149.09705	4.1
152.04758	4.4
153.09193	2.5
155.10760	6.0
163.11261	2.5
165.12827	11.2
167.10735	2.6
175.11310	11.2
177.12823	4.7
178.09998	3.2
179.10754	36.0
181.12286	3.4
193.12317	61.0
194.12692	7.4
197.11873	3.0
209.11816	10.7
221.11832	13.1
226.62747	2.0
237.11310	100.0
238.11594	9.8
243.14214	8.0
249.11201	3.1
293.14041	3.8
311.15002	2.4
327.14444	22.7
328.14755	2.8
337.13083	2.9
346.72449	2.4
355.13983	44.8
356.14172	6.0
373.14990	50.1
373.25836	25.8
374.15494	4.1
374.26202	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	373.1324
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.6
56.95113	1.2
57.03440	3.3
57.11696	1.2
59.01106	1.9
59.01382	28.4
65.46369	1.3
69.03451	2.1
71.01379	17.2
72.99302	2.9
73.02943	5.5
73.98306	2.5
74.99097	100.0
75.99445	1.5
79.36289	1.4
83.01379	2.5
83.05039	1.9
85.02940	10.9
87.00877	2.1
89.02432	2.7
95.01382	1.7
97.02988	1.3
97.06622	1.6
98.20644	3.1
99.00891	3.2
99.04527	3.3
101.02437	13.8
101.83450	1.3
109.06618	1.5
113.02447	8.2
115.07858	1.3
116.55226	1.2
120.99638	5.1
135.02908	1.4
136.99141	76.0
137.99460	1.3
139.04086	1.3
159.02911	2.0
161.04636	6.3
161.05667	1.6
165.05409	1.8
166.06325	1.2
176.84560	1.3
193.05367	1.6
211.03929	1.4
213.11131	1.4
241.12688	1.8
242.12967	1.8
243.12192	4.8
293.13962	1.9
295.11810	2.6
313.16632	2.7
324.73166	1.4
331.17548	4.2
334.85056	1.4
373.08447	1.7
373.12900	2.5
373.18185	2.8
373.22348	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	372.0935
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70794	0.6
52.26950	0.6
59.01383	3.2
59.54067	0.5
61.98829	1.5
67.45036	0.6
70.27901	1.3
70.28292	1.4
71.01369	1.9
72.99319	0.9
76.17867	0.6
77.03955	0.8
79.63560	0.6
81.48769	0.6
85.02938	0.8
87.00878	1.4
89.02453	0.9
92.05044	0.9
93.96037	0.8
101.02428	1.1
104.05064	25.4
104.05766	1.3
105.05415	1.0
108.04563	0.7
115.23427	0.7
120.04580	3.5
122.06113	2.0
123.04527	0.9
129.01924	1.3
134.06125	1.0
148.04045	58.5
149.04362	2.4
150.05606	1.6
160.04028	3.2
162.05627	0.8
166.05089	100.0
167.05489	5.1
176.03561	0.9
178.02663	1.4
180.06679	1.5
188.03571	1.1
192.02965	1.0
192.74593	0.7
193.05029	3.3
199.35469	0.7
200.83530	0.7
206.04594	9.6
210.04071	87.6
211.04404	7.1
211.06143	1.3
224.05626	20.4
238.11360	0.7
252.05116	26.9
253.05414	2.5
282.06232	2.8
312.07401	2.0
335.63647	0.6
354.08499	1.0
372.09476	2.7
373.07559	1.5
373.11707	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.0543
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86699	2.4
54.10550	2.5
55.01885	3.8
59.01373	5.7
60.85012	2.5
68.99834	6.0
69.03455	3.5
70.30316	2.9
71.01383	25.6
71.23328	4.3
72.99290	15.5
73.02949	4.2
75.00878	2.7
76.52914	2.7
83.01394	12.0
85.02962	10.8
87.00873	48.8
95.01421	3.4
97.02975	4.7
99.00872	17.4
101.02436	8.3
109.02973	3.0
110.87928	2.8
111.00883	13.2
113.02438	8.5
115.00360	9.3
122.57767	2.5
123.00867	4.1
125.02439	2.9
127.00372	100.0
128.00693	3.5
129.01927	17.2
131.13493	3.1
134.03758	3.3
139.03990	3.8
141.01915	10.6
149.06050	6.4
153.01880	3.1
154.99852	5.1
157.01414	42.7
159.02953	3.1
169.01466	13.5
175.02510	24.2
181.01424	5.7
182.51520	3.1
199.02466	20.0
229.03499	22.3
236.88213	2.9
257.03000	4.0
287.04105	42.4
288.04413	4.4
305.05252	13.8
319.06680	8.1
337.11288	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	373.0776
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	1.2
58.00576	3.1
59.01381	50.6
60.01699	1.5
61.98832	9.1
65.66059	1.1
66.23700	1.0
67.01891	1.4
69.03445	1.6
70.83053	2.3
71.01384	27.0
72.99305	4.7
73.02953	2.6
74.76121	1.1
74.99111	1.2
75.00864	1.1
79.01943	1.2
83.01374	4.1
85.02946	7.0
86.90988	1.1
87.00868	4.5
87.26755	1.1
89.02448	19.3
89.04162	1.0
91.01908	2.8
93.03468	3.9
95.01383	3.7
99.00878	2.2
101.02433	13.9
104.05054	1.2
107.01382	4.0
107.05080	1.5
108.02191	14.9
109.02980	2.3
111.00858	3.3
113.02430	8.3
115.00367	1.3
119.03516	7.7
119.05022	1.3
121.02927	1.1
122.03716	1.6
123.00887	6.2
123.04524	17.3
124.01624	3.0
125.02464	2.0
133.06580	7.2
135.04552	2.1
136.01677	3.2
137.02451	4.7
139.00349	1.4
139.03972	1.1
147.04575	2.4
148.04080	2.7
149.02431	1.4
149.06090	3.8
150.03223	8.5
151.00397	4.8
151.04045	2.2
152.01173	13.9
152.04733	1.2
153.01927	7.7
160.05267	1.6
163.07668	1.1
165.05568	3.7
166.02756	6.9
166.05063	6.0
167.03508	28.5
167.07164	1.8
168.04037	2.0
169.01436	1.1
175.07664	3.3
177.01993	1.6
177.05568	5.3
178.02711	26.8
179.03133	1.6
181.05099	5.4
189.05556	1.3
193.05051	62.0
194.02173	1.9
194.05338	3.5
195.02982	1.1
196.00128	1.9
196.03802	2.8
205.05043	2.0
209.04561	7.0
210.04094	3.5
211.02513	14.2
211.04419	1.6
211.06064	9.0
221.04538	8.4
236.21576	1.0
253.03555	1.8
313.05692	1.6
322.52795	1.0
323.07602	1.7
325.53381	1.2
341.08862	7.7
344.15692	1.0
358.05447	3.3
373.07718	100.0
373.11417	5.6
374.07977	10.9
383.34995	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1533
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99071	1.0
58.99341	1.4
58.99607	19.3
59.01379	14.6
69.03442	1.4
69.43398	7.2
69.43810	2.3
71.01388	22.3
72.99303	1.2
73.02941	1.8
74.99085	4.7
82.96958	1.1
85.01178	2.6
85.02934	3.7
87.00900	1.4
98.06879	1.1
98.19932	2.1
99.08155	3.4
101.02444	2.4
102.98598	100.0
103.02228	8.1
103.98917	3.2
113.02431	4.0
120.99657	8.7
121.02949	2.4
125.02428	4.8
127.07667	6.3
129.09224	17.7
130.09625	1.5
137.09695	4.7
141.09126	1.2
148.73175	1.0
163.00682	4.5
179.10716	3.2
201.11256	1.4
209.11699	1.3
221.11932	1.3
224.70238	1.1
235.09761	1.3
241.12640	1.5
249.06097	2.1
265.10831	2.9
325.12906	1.4
371.13611	6.4
371.24536	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	372.0936
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57129	0.6
59.01376	2.7
59.17343	0.6
61.98825	1.0
64.53497	0.6
69.03468	0.7
69.14694	0.6
69.67645	1.9
69.68063	1.7
71.01378	2.0
72.99306	0.9
73.02972	0.8
76.62996	0.7
80.45722	0.6
85.02959	0.9
87.00865	0.8
89.02431	1.1
94.06610	0.9
95.01393	0.7
103.04230	0.7
104.05067	27.4
105.05392	1.4
113.02471	0.9
120.04536	3.6
122.06107	2.3
123.04545	1.5
132.04588	1.0
133.06638	0.8
134.06155	1.2
148.04045	53.3
149.04375	2.3
151.04027	0.7
152.10771	0.5
160.04019	2.0
162.05586	1.0
166.05090	100.0
167.03493	0.7
167.05481	5.5
176.03563	0.9
180.06648	1.2
188.03529	1.3
193.05101	2.5
206.04572	9.7
210.04076	82.1
211.04408	6.4
211.06178	0.9
224.05632	20.0
225.05975	1.3
243.08908	0.6
252.05125	26.6
253.05421	2.5
282.06192	1.9
312.07349	1.5
347.26572	0.6
372.09497	1.7
373.07666	2.1
373.11642	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1345
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	4.7
59.01368	2.0
67.01897	1.1
69.03455	100.0
70.03790	2.5
71.01402	2.5
72.99311	1.7
73.02959	0.6
74.99104	0.8
79.01890	6.1
82.04723	0.5
83.01406	0.5
85.02934	2.7
95.01385	3.2
97.02947	18.4
98.19818	0.9
99.00881	26.7
99.01534	1.3
100.01223	0.6
102.98557	0.9
107.32777	0.6
111.00858	0.7
113.02462	1.8
120.99687	0.7
122.69836	0.6
123.00967	1.1
141.01932	11.8
147.32422	0.5
185.00912	54.6
185.11864	5.0
186.01219	3.5
241.12784	1.8
262.37726	0.6
270.09164	0.6
274.83170	0.5
285.11310	0.7
298.08365	1.0
307.83890	0.6
311.09485	0.8
313.10699	0.6
325.10791	0.7
326.08060	1.0
341.10202	4.9
356.12744	3.0
357.13232	0.7
371.13480	11.4
371.24606	1.5
372.14587	1.4
372.72729	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1531
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	21.3
59.01377	6.8
65.00683	0.8
69.03460	3.8
69.43025	4.3
69.43431	2.2
71.01378	4.5
71.72408	0.9
72.27895	0.9
72.99319	1.2
73.01180	4.0
73.02943	2.0
74.99094	1.9
83.01382	1.0
83.05037	10.6
85.02962	2.8
89.02463	2.7
97.02968	1.1
99.00908	1.6
99.02746	36.1
101.02461	2.7
102.98604	0.9
112.84185	0.9
113.02463	1.8
113.04384	1.1
119.05037	1.3
120.99650	1.9
121.02959	1.2
135.98381	1.1
136.99222	1.2
139.05878	6.9
143.20447	1.0
160.20030	0.9
161.04549	1.4
165.07376	1.1
177.92564	1.0
183.08490	18.3
185.00815	1.5
218.04253	1.0
223.11603	6.0
241.12686	100.0
242.12997	10.5
268.56726	0.8
268.60086	0.9
311.13281	3.3
314.87231	0.9
329.19873	0.9
371.15427	1.7
371.20444	1.0
371.24457	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	371.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.9
57.03442	2.2
58.00555	1.2
59.01382	22.2
63.65327	1.1
67.01893	1.4
68.99792	1.1
69.03456	43.7
71.01388	18.2
71.05014	2.7
71.55363	1.7
72.99304	4.5
73.02946	4.6
73.98286	1.3
74.27261	1.3
74.99082	2.3
75.00860	7.9
78.23191	1.1
79.01898	10.9
83.01405	1.8
83.05060	1.5
85.02943	13.1
87.00887	4.5
87.04564	1.6
89.02421	2.9
90.98665	1.2
95.00883	1.1
95.01390	7.3
97.02952	46.7
97.06561	1.6
99.00893	12.5
101.02467	1.7
102.98598	2.9
106.59964	1.1
113.02462	13.5
113.09719	5.4
115.04022	1.7
115.07655	2.6
117.01942	1.4
120.99649	4.4
121.02955	37.0
122.03342	1.9
123.00887	2.2
125.09737	3.0
128.47946	1.6
130.08748	9.5
139.05928	2.4
141.01938	70.6
142.02246	1.9
149.02412	1.5
149.09706	1.7
152.07161	3.0
155.10793	3.7
159.03146	1.3
167.10672	1.3
175.02504	1.8
179.08876	1.4
185.00917	24.5
185.11824	100.0
186.12158	5.6
199.18114	3.6
203.01982	12.3
209.08238	1.9
223.11600	7.1
227.16452	7.2
231.05124	1.6
241.12637	8.9
249.06169	20.8
249.08783	1.7
250.06488	2.5
256.20166	1.5
268.40359	1.2
289.33276	1.3
311.15143	1.4
313.12088	1.4
329.15955	3.9
371.09277	11.3
371.13699	12.4
371.23343	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	371.0981
Annotation	Cycloshermilamine D
Peak:m/z	Relative Intensity
50.84756	0.7
51.94423	0.6
53.01217	0.8
55.01873	2.0
57.03436	3.2
59.01381	20.2
67.01881	1.0
68.99826	0.9
69.03472	0.8
69.54362	4.0
71.01382	17.4
72.99305	5.6
73.02949	2.3
73.42216	0.7
75.00871	19.8
76.24116	0.7
83.01376	1.3
85.02952	22.5
87.00876	7.2
89.02435	5.1
93.03468	1.5
95.01370	5.6
98.20616	1.6
99.00877	9.6
100.88014	0.6
101.02438	1.8
103.00377	3.6
113.02451	29.3
115.00381	2.6
117.01934	3.7
121.02959	100.0
122.03292	4.3
129.01927	1.9
157.01381	0.9
160.59781	0.8
175.02458	3.9
193.03500	1.0
220.22456	0.7
231.05022	3.8
249.06143	24.5
250.06544	2.4
353.08652	0.9
371.09805	53.5
372.10272	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	371.0981
Annotation	Cycloshermilamine D
Peak:m/z	Relative Intensity
57.01335	0.7
57.03444	1.8
59.01104	1.2
59.01381	15.1
67.01876	1.3
68.99823	2.1
69.03455	1.2
69.47443	0.7
69.47594	1.5
69.48009	3.5
71.01380	15.2
72.99298	4.1
73.02958	1.7
75.00874	17.9
81.03451	1.3
83.01401	1.2
85.02950	16.7
87.00880	6.2
89.02438	3.3
93.03442	1.7
95.01403	5.5
97.02932	1.0
99.00890	10.1
101.02466	0.8
102.47763	0.7
103.00368	1.6
111.00883	1.5
111.72368	0.6
113.02456	27.4
114.02814	0.9
115.00394	1.9
117.01939	3.2
121.02959	100.0
122.03277	4.7
129.01976	1.4
157.01445	1.5
175.02483	3.1
231.05096	8.6
249.06148	95.2
250.06465	5.5
353.08783	2.3
371.09836	65.8
372.10089	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	371.062
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	1.5
57.03441	9.7
59.01377	12.6
59.68996	1.0
61.98832	33.0
68.99818	2.0
69.82369	2.3
69.82779	4.6
71.01380	14.8
72.99314	3.8
74.09512	1.0
75.00880	2.6
75.07797	0.9
76.29141	1.0
83.01412	1.4
84.02177	2.9
85.02948	69.2
86.03297	2.2
87.00880	6.5
89.02449	7.6
99.00887	1.2
101.02460	2.9
101.67675	1.0
103.00375	1.9
108.02180	1.3
111.00879	2.8
113.02457	2.2
115.00368	1.5
121.02926	1.2
122.02459	2.1
123.04474	1.4
129.01952	7.1
133.01433	3.8
135.04510	4.1
147.02992	2.9
148.04060	3.2
149.06055	1.7
160.21521	1.2
165.05551	2.9
166.05072	5.0
167.03516	1.7
173.00876	1.2
173.04578	1.2
179.03426	2.3
191.01961	27.7
191.03635	1.8
209.03001	100.0
210.03780	6.3
224.05737	1.1
248.23720	1.1
249.06209	4.4
265.06714	1.0
314.06717	1.2
323.72510	1.1
371.09796	7.6
372.09488	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0623
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	2.0
57.03447	10.7
59.01381	15.8
61.98832	40.9
64.16824	0.9
64.83104	1.1
68.99803	1.7
69.03472	1.1
69.20541	9.8
71.01383	16.0
72.99309	3.7
73.02934	1.4
75.00876	3.1
83.01382	2.8
84.02152	2.0
85.02951	81.3
86.03284	1.7
86.13615	1.0
87.00869	12.0
89.02446	6.4
99.00867	1.8
101.02431	2.0
103.00348	2.2
104.05080	1.0
108.02161	1.7
111.00851	4.4
113.02435	3.0
115.00362	2.0
121.02942	1.6
122.02481	3.5
123.00857	1.4
123.04504	3.1
126.62845	1.2
129.01956	8.3
129.03435	1.5
133.01418	5.3
134.03729	1.4
135.04512	4.2
136.01654	1.4
139.04007	1.6
145.01402	1.3
146.03740	1.5
147.02966	4.3
147.04485	3.5
148.04109	2.4
148.05254	3.8
149.06108	5.4
151.03996	2.7
163.03995	1.4
164.04709	1.2
165.01915	2.3
165.05554	5.3
165.99681	1.1
166.05043	2.7
167.03398	2.2
173.00829	1.5
175.03970	1.6
176.04774	2.2
179.03555	1.9
191.01971	28.7
191.03641	2.4
191.05548	1.5
191.07158	1.9
192.02364	1.6
206.05739	1.3
207.06680	1.6
209.03006	100.0
209.04553	3.8
210.03561	4.4
224.05675	1.3
235.06075	4.2
247.06027	3.5
249.06190	5.0
251.05508	1.8
252.05003	1.3
265.07162	9.2
325.09323	2.9
335.13470	1.3
371.06213	2.0
371.09836	20.0
372.09695	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	369.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01894	3.2
57.03451	7.2
59.01381	83.0
60.24471	1.3
65.53842	1.3
69.03465	3.9
71.01385	39.9
71.55304	2.3
72.99311	4.7
73.02946	10.1
75.00843	2.2
75.14023	1.4
83.01385	12.2
85.02951	28.6
87.00892	3.9
89.02457	4.9
90.32095	1.7
95.01389	7.2
97.02959	3.5
99.00886	5.3
101.02441	19.8
102.98631	1.8
106.04265	2.8
107.53756	1.5
111.00884	2.0
112.01698	3.3
113.02448	23.9
119.05045	3.8
120.61623	1.7
120.99711	2.9
121.06613	2.4
129.01999	2.0
146.24498	1.4
152.07184	2.3
153.09203	2.1
161.04541	2.4
163.11333	2.2
165.09204	81.3
166.09558	4.9
205.12407	1.6
207.13828	2.7
225.14920	8.7
226.15352	2.6
239.08630	3.6
239.11095	73.0
240.11508	8.4
249.11458	2.5
256.59671	1.7
279.12274	2.3
309.13412	100.0
310.13846	9.5
327.14487	68.0
328.14789	9.4
369.07532	1.6
369.15070	3.9
369.19177	8.4
388.92349	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	369.3009
Annotation	Docosanedioate
Peak:m/z	Relative Intensity
52.68237	1.2
57.09665	1.4
61.98824	3.3
64.06799	1.2
66.67439	1.2
71.54797	1.5
84.18073	1.3
89.20668	1.0
103.70881	1.3
108.43488	1.1
110.01954	1.2
113.65990	1.1
151.20834	1.2
170.81677	1.1
253.00064	1.3
307.30069	61.7
308.30524	9.4
311.16895	1.4
325.31094	2.2
330.00641	1.3
345.25433	1.3
351.29056	17.8
352.29538	2.5
369.30096	100.0
370.30432	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	370.0776
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	5.6
59.01386	5.5
61.98820	1.9
67.01865	0.8
69.03456	100.0
69.78927	4.0
70.03789	3.1
70.20874	0.7
71.01384	4.0
72.99301	3.0
79.01900	6.3
85.02945	9.4
86.03296	1.7
87.00882	1.4
89.02454	1.0
93.45348	0.8
95.01392	3.2
97.02950	23.8
99.00883	25.3
101.02438	0.8
111.00871	1.4
112.04050	3.3
119.05025	1.0
123.00900	1.5
123.04507	2.7
124.04036	3.1
125.02392	0.9
127.07758	1.0
129.01929	2.6
130.02278	1.2
140.07103	1.7
141.01938	10.5
149.02409	1.2
149.06087	3.1
160.14316	1.0
163.04071	0.8
165.05540	3.8
167.03502	1.4
184.06116	6.9
185.00916	51.7
186.01280	2.0
191.03537	1.9
193.05107	1.0
194.05832	0.9
203.01953	4.3
205.34392	1.0
206.03906	0.8
209.02855	1.7
209.04556	4.4
209.08171	2.3
210.41257	0.9
223.04596	1.8
224.04875	2.2
232.20287	1.0
348.28714	0.9
370.07858	4.8
371.09586	3.3
371.13702	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	369.1189
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07873	0.6
55.01878	4.2
57.03447	2.5
59.01387	3.1
59.05479	0.6
67.01903	1.1
68.99806	0.6
69.03456	100.0
70.03792	2.1
71.01382	6.9
71.32111	0.9
72.97552	0.8
72.99321	3.3
73.02942	1.1
73.20026	0.6
74.67430	0.6
74.99110	0.8
76.03759	0.6
79.01883	5.1
83.01392	0.9
85.02956	4.6
87.00870	0.9
89.02436	1.1
95.01377	3.8
97.02952	18.2
97.03583	1.1
99.00877	23.6
101.02456	1.8
102.98592	2.8
109.06610	0.7
113.02441	4.7
119.05048	2.0
123.00915	1.3
135.58224	0.7
138.06891	2.2
139.02104	0.7
141.01932	10.7
146.03735	0.7
153.09244	4.7
160.01675	1.7
161.09749	1.1
163.04005	1.1
164.04697	0.7
179.07140	0.9
183.10204	0.9
185.00909	46.5
186.01312	2.5
193.89232	0.8
207.13957	1.0
210.09305	1.6
211.07663	1.0
221.09953	1.3
222.06909	1.3
225.14928	6.8
226.15373	1.1
238.08685	0.7
239.11092	2.9
240.07892	2.0
241.12616	3.7
243.06570	1.3
244.07399	0.9
255.10403	1.5
263.06909	0.7
268.07306	3.9
269.07764	0.7
279.06433	1.6
280.07437	3.2
282.07938	0.8
283.09869	2.5
294.08838	1.1
296.07007	2.8
308.06870	3.5
309.07703	2.2
310.07336	2.0
311.09332	1.8
322.08414	1.9
323.09213	6.1
324.06430	3.7
324.09869	1.6
325.06793	1.1
328.08264	1.1
338.11673	3.4
339.08685	18.8
339.12198	1.9
340.09152	2.3
353.10544	1.1
354.11017	15.0
355.11490	1.4
369.12833	14.2
369.19116	2.0
370.13354	2.8
370.18701	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1374
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	2.1
57.03437	3.3
57.74003	1.0
59.01378	30.7
61.54839	0.9
61.98832	1.2
63.55171	0.9
69.03452	1.7
69.19455	8.5
71.01377	15.3
72.99320	1.9
73.01181	2.2
73.02969	4.8
74.99133	1.3
83.01390	5.6
83.01827	0.9
85.02948	12.2
85.95328	1.0
87.00890	1.3
89.02454	1.7
95.01381	3.3
97.06622	1.4
99.00868	2.0
101.02444	7.3
102.98573	2.1
103.04038	1.4
112.94419	1.0
113.02455	10.5
121.06550	1.2
125.02396	1.2
135.98375	1.4
151.55457	1.0
153.09242	1.7
161.04576	1.8
165.09196	28.3
166.09583	2.1
205.12314	1.3
207.13806	1.7
225.14951	3.2
239.11108	100.0
240.11420	9.1
296.07083	1.1
309.13470	27.7
310.13660	3.8
327.14508	22.0
328.14764	2.7
339.08765	3.1
354.10925	2.3
369.15070	1.3
369.19113	4.7
370.13663	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	369.0826
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	6.1
57.03162	1.0
57.03448	21.1
59.01372	3.3
65.11943	1.0
67.01868	1.4
68.99814	1.2
69.03456	2.9
69.49513	4.9
69.49944	2.5
71.01381	5.6
72.99318	2.2
73.02939	2.4
75.00845	1.6
83.01380	10.9
84.02155	2.3
85.02952	100.0
86.03298	3.2
87.00865	1.0
88.87759	0.9
91.33939	1.1
98.19892	1.9
99.00890	1.7
101.02451	5.8
111.00884	29.1
115.10966	1.0
119.05035	10.7
120.05267	0.9
129.01945	37.7
142.06779	1.0
145.02995	2.4
150.05795	1.3
157.81952	1.0
159.21674	0.9
161.04579	2.8
163.04037	9.0
171.32137	0.9
177.03995	1.3
185.00961	1.2
187.02498	1.3
189.61978	0.9
193.05028	0.9
205.03535	21.0
205.44731	1.1
210.57332	1.1
223.02495	2.1
223.04597	32.6
224.04799	2.1
242.20726	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1188
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07037	0.7
55.01873	4.6
57.03442	1.9
59.01378	3.3
67.01883	1.3
69.03455	100.0
69.44287	4.8
70.03789	2.7
71.01378	6.7
72.97538	0.9
72.99313	2.5
73.02947	0.7
79.01894	5.6
82.32805	0.7
83.01394	1.0
85.02941	6.1
89.02434	1.5
95.01402	3.4
97.02954	16.2
98.19926	1.1
99.00880	24.9
101.02463	2.3
102.98615	2.3
109.02947	0.9
110.93186	0.7
111.00884	0.8
113.02424	4.8
119.05073	0.9
120.01379	0.6
123.00846	0.9
132.02205	0.7
138.06891	2.0
141.01933	10.9
142.02214	0.6
153.09190	5.7
158.04633	1.2
160.01675	1.9
161.09708	0.8
163.11308	0.8
179.07146	1.0
183.10257	1.3
185.00908	45.0
186.01283	2.0
207.13910	1.3
211.07701	1.4
221.10040	0.9
222.06940	1.0
225.14963	8.1
239.11111	3.3
240.07860	1.5
241.12729	3.6
244.07547	1.0
255.10365	0.9
268.07434	2.6
279.06674	1.1
280.07452	3.1
282.07578	1.0
283.09756	2.7
294.09116	0.8
296.06940	1.7
308.06955	3.4
309.07663	2.7
310.07474	1.6
311.09268	1.5
322.08380	1.5
323.09204	5.9
324.06430	2.9
324.10016	1.9
326.14133	0.9
337.10742	1.8
338.11606	3.4
339.08701	15.2
339.12201	1.3
340.09061	2.3
353.10202	1.4
354.11063	12.0
355.11658	1.4
369.12747	11.4
369.19205	1.4
370.13034	2.0
370.19067	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.1249
Annotation	Unknow
Peak:m/z	Relative Intensity
56.83514	1.2
59.01369	3.6
61.98534	1.6
61.98828	19.3
66.03481	1.2
69.49966	8.3
82.06595	1.3
84.58957	1.2
96.95983	1.8
98.19894	2.5
101.02453	1.8
157.01465	1.2
167.06134	25.1
168.06499	2.6
183.01230	1.6
210.06665	5.1
221.09715	2.1
280.14545	51.5
281.14935	6.2
324.13507	100.0
325.13623	12.7
368.12466	7.1
369.14548	2.8
369.22797	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	369.0825
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48848	0.9
55.01878	4.1
57.03450	19.2
59.01374	5.3
65.88042	0.8
70.74261	2.8
71.01383	8.3
72.99306	2.0
73.02964	2.0
75.00883	2.4
83.01386	10.9
84.02165	2.2
85.02950	86.0
86.03281	2.6
87.00895	3.4
92.96628	0.9
97.02957	1.7
99.00815	1.0
101.02436	7.4
111.00882	32.8
119.05032	8.7
129.01944	29.4
147.03000	2.7
154.65184	1.0
161.04591	2.3
163.04008	4.8
185.00854	0.9
187.02481	1.8
193.49203	0.9
199.01843	0.9
205.03534	29.8
207.03043	1.6
223.04593	100.0
224.04912	4.2
317.10352	1.2
344.51538	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.0826
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54687	1.1
55.01874	3.0
57.03450	18.8
59.01379	2.6
61.98827	8.1
63.35769	1.1
67.01896	1.6
69.76309	3.1
69.76708	1.8
71.01393	6.3
72.99301	1.9
73.02942	3.2
75.00867	2.0
83.01387	10.8
84.02171	2.3
85.02953	100.0
86.03281	2.3
88.01707	1.1
94.10022	1.0
99.00929	1.4
101.02452	7.0
111.00885	28.1
111.01662	1.3
111.07661	1.1
112.93404	1.2
114.66518	1.1
119.05038	11.6
129.01947	41.2
130.02196	1.8
145.03053	1.6
147.02975	1.3
161.04526	2.6
163.04013	8.5
182.06946	1.0
187.02557	1.4
205.03543	25.5
206.03900	2.0
223.04584	45.6
224.05006	1.9
285.70044	1.3
299.07336	1.1
369.08203	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.0623
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96055	0.6
54.14091	0.5
55.01877	1.3
57.03453	3.9
59.01381	2.0
61.98831	100.0
69.03426	0.8
69.75204	3.2
71.01379	2.0
72.99281	0.5
74.26600	0.5
78.95837	0.5
83.01407	1.9
85.02949	17.3
89.02464	0.5
94.41269	0.5
96.90553	0.5
99.00877	0.5
101.02435	1.2
111.00875	6.2
119.05052	1.4
125.02477	1.4
129.01947	7.1
139.03983	0.6
139.40993	0.5
147.02972	0.8
163.04048	1.5
187.02426	0.7
205.03503	4.8
223.04575	12.7
245.30627	0.6
305.06842	1.7
356.00613	0.5
368.20398	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.0988
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	1.1
59.01377	8.1
61.98829	10.2
67.26039	0.6
69.55510	1.7
69.55919	2.9
71.01388	5.8
72.99297	1.1
73.01169	3.1
73.02971	0.9
74.01466	0.9
78.65556	0.6
80.04565	0.6
81.83824	0.6
85.02937	6.4
87.00861	1.2
89.02463	3.6
98.19909	1.3
101.02438	2.7
104.98121	0.7
111.00909	2.2
113.02455	1.3
119.03491	0.9
119.05003	3.0
124.92647	0.6
129.01959	3.2
132.04530	1.7
134.02475	1.2
134.06107	2.3
144.04552	3.9
147.03239	2.5
148.04060	2.0
150.05583	1.4
159.03198	2.3
160.04031	100.0
161.04616	8.4
162.05598	65.4
163.06032	3.9
165.04044	0.7
176.03500	1.8
188.03496	2.8
195.74768	0.6
205.03612	1.2
206.04565	80.9
207.04980	4.4
223.04596	1.9
325.42627	0.6
330.11783	1.5
331.06241	1.6
332.06250	0.9
368.09842	46.1
369.10172	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	367.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	6.7
55.44680	0.8
57.03449	10.8
58.00577	1.2
59.01378	52.4
60.01712	1.0
61.98824	1.1
62.83890	0.7
66.40325	0.7
67.01897	0.8
68.96381	0.8
68.99825	1.9
69.03465	2.5
69.17054	0.9
70.92741	1.7
71.01380	100.0
71.05021	3.2
72.01717	1.4
72.97525	0.7
72.99310	2.9
73.02942	15.8
83.01379	11.2
83.05027	1.2
84.02164	2.6
85.02945	65.6
86.03278	1.8
87.00877	5.6
89.02442	13.2
95.01382	19.7
97.02945	3.5
97.27006	0.8
99.00872	7.9
101.02441	18.7
105.07059	0.7
107.04999	0.8
108.05785	1.2
109.02920	1.1
109.06578	1.3
111.00901	0.9
111.04530	1.2
112.01682	0.9
113.02447	74.1
113.06033	1.3
114.02770	2.2
123.08173	2.4
125.02428	1.0
125.06078	1.3
135.08131	0.9
136.05286	11.3
137.09677	1.2
138.06876	15.3
139.07619	2.6
143.03479	2.0
145.02966	1.3
147.08148	1.4
149.06070	1.0
151.07660	12.6
152.08426	83.7
153.09213	80.3
154.09547	4.0
161.04561	9.4
161.09688	4.5
163.11244	4.4
164.08318	0.9
165.09172	5.2
175.07574	1.1
187.11299	2.5
189.09189	2.3
190.09946	5.3
191.05551	2.0
191.10742	1.2
205.12328	78.3
206.12691	7.6
223.13382	6.7
231.10805	0.8
235.67145	0.9
256.02390	0.8
283.42136	0.8
286.38309	0.9
307.17596	2.1
367.10376	1.2
367.17636	22.9
368.17957	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	367.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
59.43110	0.5
60.01718	1.9
63.50900	0.5
65.95332	0.6
69.03460	0.9
69.45615	0.5
69.87437	1.2
69.87843	1.9
71.01375	6.4
72.01717	0.7
72.99305	1.3
73.02929	1.5
83.01405	1.3
85.02951	2.6
87.00920	0.7
89.02457	3.6
93.03455	0.6
98.19969	0.7
99.00884	1.1
101.02452	4.8
113.02454	2.6
116.05091	1.3
117.05421	0.5
119.03530	0.8
119.04991	1.3
123.04528	0.9
129.01990	0.8
142.06610	5.4
142.07442	0.5
143.03415	0.6
143.06963	7.3
149.04489	0.6
158.06198	1.0
159.06474	1.0
161.04565	5.1
163.04013	1.1
167.03528	1.7
179.07205	1.0
186.05655	2.1
187.05992	2.8
204.06633	1.4
205.07005	2.5
307.17599	7.2
308.18158	0.8
329.08786	0.8
367.12271	8.8
367.18716	1.0
368.12964	0.9
386.10422	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.088
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	24.9
57.88425	3.1
59.01379	58.2
63.87140	3.1
65.27406	3.1
68.73579	4.1
68.99831	5.9
71.01386	59.7
71.53802	4.1
72.99308	39.5
73.01168	8.1
73.02950	9.4
75.00892	4.9
83.01401	16.1
85.02965	14.0
87.00882	82.9
89.02433	13.7
99.00885	17.5
101.02428	9.6
105.01946	7.3
111.00871	10.1
113.02460	7.3
115.00330	3.7
117.01949	100.0
117.53133	3.3
127.00352	4.8
129.01947	31.4
133.05048	7.5
135.03030	7.3
139.57919	3.7
150.05621	3.7
157.01382	6.0
160.04022	11.8
161.04414	11.6
162.05614	4.3
165.04050	7.3
173.00919	26.8
175.06088	9.9
206.04532	7.6
243.01620	4.3
249.06007	3.8
276.97910	3.5
293.08749	9.7
303.03525	10.2
303.77728	3.6
331.07816	12.5
335.06158	7.1
337.22919	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	367.1396
Annotation	Unknow
Peak:m/z	Relative Intensity
56.36255	1.1
57.03440	3.4
59.01381	32.3
67.92261	0.9
69.19245	9.0
71.01372	2.4
73.02952	2.1
79.08187	1.0
83.05055	2.6
85.02943	4.9
95.05050	1.6
97.06595	5.8
98.03726	1.3
103.00371	7.2
109.02926	2.0
121.06591	1.6
123.04514	1.1
123.08142	2.6
137.09752	3.4
139.07608	2.0
151.11238	2.7
161.09737	3.0
163.11356	1.2
179.10719	3.5
183.06638	1.7
189.09195	1.1
207.10233	11.5
252.72966	1.1
270.48865	1.0
281.13931	100.0
282.14285	10.6
301.77451	1.0
306.06961	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2696
Annotation	(+)-Plumosol
Peak:m/z	Relative Intensity
57.23425	0.5
69.69992	0.5
70.99089	0.8
84.56732	0.4
85.06590	2.7
98.10717	0.4
98.79465	0.5
107.39656	0.5
110.20615	0.5
190.66975	0.5
199.13373	1.8
251.20180	0.6
261.18588	1.1
271.47543	0.5
273.20404	0.5
279.19647	16.5
280.20013	1.6
281.03491	0.5
300.56329	0.6
328.19894	0.5
347.25934	5.1
348.26340	1.1
363.25049	0.7
365.26938	100.0
366.27283	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	366.0829
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15009	0.3
53.71886	0.4
59.01367	1.4
61.98817	1.3
71.01387	1.8
71.53545	0.5
72.99299	0.8
77.35762	0.4
85.02954	0.9
87.00876	2.3
89.02448	1.1
101.02447	0.8
111.00871	0.5
111.96813	0.4
113.02418	1.1
116.92413	0.4
118.03006	1.3
119.03458	0.4
122.06110	1.9
131.03763	1.3
132.04561	5.1
136.07684	0.7
150.05592	5.6
151.05893	0.4
159.03247	18.8
159.30844	0.4
160.04036	100.0
161.04381	7.2
176.07234	0.5
204.03020	6.3
223.88312	0.4
225.32944	0.4
237.35384	0.4
293.08841	1.7
312.10968	2.9
322.09299	13.8
322.13156	0.7
323.09659	1.4
330.11972	6.7
331.08340	2.2
331.11884	0.8
366.08255	11.7
367.08774	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.9
57.03444	1.8
58.00585	3.3
59.01379	100.0
60.78546	0.9
64.98401	1.0
69.03436	1.0
69.76527	4.1
71.01382	45.4
72.52201	0.8
72.99304	4.6
73.02953	2.8
78.81927	0.9
83.01389	3.1
85.02953	10.2
86.29700	0.9
87.00877	2.9
89.02444	54.7
90.02731	1.1
95.01392	3.8
98.19933	1.8
99.00864	1.2
101.02444	36.4
102.02814	1.4
113.02457	20.4
119.03499	24.6
131.03510	3.1
134.62943	0.9
143.03479	3.0
149.04544	2.0
161.04558	3.5
165.87700	0.9
179.05609	4.3
185.11787	6.4
203.11015	1.3
203.12894	6.4
229.09969	0.9
253.05574	1.0
347.16858	1.5
365.18152	76.2
366.18570	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	365.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.4
57.03439	1.1
58.00581	0.7
59.01381	16.1
71.01383	9.7
72.99304	1.1
73.02943	4.0
83.01390	3.5
85.02947	4.4
86.00117	0.6
87.00880	1.2
89.02437	4.2
95.01415	1.0
98.19808	0.6
99.00878	1.5
101.02447	10.1
111.00894	0.7
113.02449	4.1
114.92915	0.4
119.03497	1.4
124.07214	0.4
127.11263	1.1
131.07152	0.7
132.07494	0.4
155.10759	0.6
157.12326	5.8
158.12695	0.5
159.02943	0.5
161.04558	0.8
184.17831	0.4
185.11780	1.0
199.13496	0.7
203.12874	14.1
204.13260	0.9
227.12959	0.4
245.13815	0.6
325.99408	0.4
347.17307	1.2
365.18143	100.0
366.18469	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	364.0309
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	78.5
61.98830	98.3
61.99128	15.8
69.30066	17.4
69.30461	71.2
71.01382	9.5
73.02958	8.3
83.01407	8.2
101.02422	14.0
107.01414	9.4
121.02967	15.2
122.89967	8.6
128.06592	9.0
143.10776	24.3
151.00356	37.8
161.06056	66.6
178.99815	28.7
179.12296	10.7
206.99210	8.7
298.49957	9.5
301.03522	100.0
302.03928	12.3
303.89960	11.0
364.18210	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	364.2109
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	1.8
61.98832	100.0
69.17290	1.9
69.17703	5.4
86.23950	0.6
93.94823	0.6
163.19475	0.7
189.12910	0.8
364.21176	3.0
365.26385	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.9636
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	2.9
61.98828	100.0
62.98507	0.4
69.33856	1.9
69.34264	0.8
73.03590	0.3
78.91921	0.5
80.91682	0.7
89.45945	0.3
98.19855	0.6
135.95599	0.6
139.38393	0.3
151.74184	0.4
164.96367	0.5
178.98553	0.6
180.94153	8.2
206.97430	4.0
208.97307	0.5
219.97743	1.0
220.97798	0.6
220.99603	1.6
222.95197	73.8
223.95253	1.0
223.97264	0.7
237.73177	0.4
322.95425	0.8
323.95087	0.4
364.96085	1.7
365.96838	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	2.3
58.00599	3.4
59.01379	100.0
60.01714	1.6
69.51814	5.5
69.52225	2.0
69.55236	1.2
71.01382	43.2
71.01779	2.2
71.37483	1.2
72.99323	3.9
73.02953	2.4
75.00889	1.1
83.01398	2.6
85.02961	8.9
87.00892	3.1
89.02444	50.3
95.01399	3.5
99.00879	2.1
101.02446	32.1
113.02457	19.3
119.03503	27.9
123.87781	1.1
131.03526	2.0
139.04135	1.3
143.03511	3.4
149.04564	1.4
161.04625	3.0
179.05640	4.8
185.11888	3.8
194.59889	1.0
203.12943	3.9
217.14476	3.1
305.16074	2.2
350.71744	1.2
350.83902	1.8
365.08804	2.6
365.18198	49.7
366.18408	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	363.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.1
56.57788	0.9
57.03448	8.5
58.00589	1.7
59.01381	100.0
60.01711	1.8
61.98834	14.7
69.50005	0.8
69.59380	2.4
69.59799	3.8
71.01382	29.1
71.54285	0.9
72.99313	1.6
73.02950	6.5
73.99414	0.8
74.99117	1.3
75.00081	0.8
78.10732	0.8
83.01404	3.0
85.02947	9.3
85.06608	0.9
87.00900	3.8
89.02443	16.8
89.02940	1.4
93.03518	0.9
95.01396	2.5
99.00925	1.3
101.02443	22.3
108.02187	5.1
108.02836	0.8
113.02463	11.9
116.89298	0.9
119.03489	9.4
120.99666	2.0
121.02976	2.3
122.03771	2.6
123.04561	1.9
123.08182	2.1
125.02514	1.0
130.08778	1.9
141.05586	1.0
143.03493	1.4
149.02426	8.0
150.03232	19.3
151.03769	1.3
152.01189	6.7
159.03076	1.1
160.04027	1.6
161.04578	4.9
164.04817	1.7
165.05556	17.0
165.09320	0.9
166.05933	1.6
167.03510	15.6
172.09834	1.1
183.10229	12.9
195.06592	9.1
201.11365	1.7
247.07281	1.7
256.07544	2.5
303.14636	2.9
315.08780	7.6
363.16638	96.4
364.16931	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	363.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.5
57.03448	0.7
58.00590	0.8
59.01380	13.6
62.98764	0.4
63.04877	0.3
69.03442	0.5
69.99437	0.8
69.99822	0.7
71.01382	20.8
72.99310	1.4
73.02946	2.9
81.04013	0.3
83.01381	2.7
85.02959	4.7
86.03261	0.4
86.76080	0.4
87.00863	1.5
89.02449	3.6
95.01386	1.0
97.02950	0.5
99.00887	1.6
101.02443	6.3
102.98594	0.4
111.00904	0.8
112.01641	0.4
113.02456	3.3
119.03503	1.1
124.01624	0.4
141.12883	2.0
143.58693	0.3
155.14429	1.3
159.03122	0.4
183.13876	2.9
184.14175	0.5
201.14967	25.7
202.15344	2.3
213.15097	0.5
243.15976	0.6
255.15948	0.6
345.19186	3.9
363.20230	100.0
364.20572	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	364.031
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	17.8
61.41892	3.7
61.98833	12.0
67.21944	3.8
69.76015	25.5
70.30831	3.7
71.01363	4.9
121.02901	4.5
129.76180	4.6
137.02451	14.8
144.16417	4.3
147.04510	4.8
165.01927	100.0
166.02216	8.4
301.03488	24.5
302.03943	5.3
364.17551	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	363.12
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24932	2.1
55.01880	3.0
57.03423	2.7
59.01382	34.1
68.99826	6.3
69.98502	9.2
71.01386	20.8
72.99306	2.9
73.02936	11.0
80.05038	2.4
83.01395	3.7
85.02952	8.5
87.00848	4.1
89.02450	12.3
90.08070	1.8
94.06622	4.4
95.01366	2.4
99.00884	2.9
101.02444	18.4
108.04556	10.0
111.04516	2.5
113.02473	9.5
116.05088	13.2
118.06622	12.7
119.03523	3.4
119.05051	6.8
120.99638	3.5
124.04061	26.9
126.05604	3.6
130.08791	3.1
135.02966	2.3
136.04066	5.1
136.99205	2.8
138.05602	6.1
139.07635	6.6
144.04558	34.0
145.05231	3.6
146.06122	25.8
148.04042	4.8
149.02425	2.5
150.03172	5.3
150.05627	6.5
154.03893	4.4
154.05101	65.4
156.06660	100.0
157.07039	3.3
157.34749	2.4
160.04083	7.1
161.04544	4.3
162.05608	27.6
163.04004	5.7
164.07185	16.0
165.05545	23.9
167.03511	4.1
172.09758	3.9
176.03519	12.8
176.37854	2.2
178.05106	23.4
183.06642	2.8
183.10210	5.5
188.03506	5.8
195.06473	2.6
201.05884	5.2
201.10371	8.4
213.05553	2.6
215.09215	3.0
241.05093	10.0
253.09769	9.8
256.07407	7.2
271.10901	16.1
274.10751	2.7
283.10895	6.5
301.11871	33.4
302.12213	4.2
315.08673	3.5
319.13037	21.6
327.10760	5.1
345.10776	5.4
363.11450	15.1
363.16608	28.6
363.20767	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	363.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.5
57.03445	3.5
58.00596	3.7
58.55740	1.9
59.01379	93.3
61.98825	8.5
69.33348	14.2
69.33762	5.1
71.01001	4.1
71.01385	59.8
71.72182	1.9
72.99294	9.7
73.02943	12.0
74.99087	5.9
75.00860	4.0
77.09153	1.7
83.01392	6.1
83.05025	4.2
85.02943	16.5
87.00864	5.7
89.01929	3.6
89.02448	51.8
93.07096	4.9
95.01385	3.4
97.06616	3.9
99.00884	5.0
101.02446	29.9
108.02195	3.3
111.08144	5.1
113.02466	23.1
114.86772	2.0
119.03518	18.5
119.05012	5.7
120.99645	7.8
123.04612	3.1
123.08155	2.5
124.04059	3.7
125.02464	3.0
130.08723	2.8
134.04744	3.5
136.99101	3.7
138.05681	2.8
138.72481	2.1
139.07649	100.0
140.08046	3.8
143.03471	3.0
144.04529	2.8
147.04500	3.3
149.04483	2.4
150.03224	5.5
150.05659	3.0
152.01178	3.2
154.05098	7.3
156.06665	8.6
157.08673	8.7
160.04054	2.7
161.04530	8.7
162.05623	3.0
163.04004	5.9
165.04312	3.1
165.05563	14.1
167.03513	4.5
174.71083	2.1
176.03532	3.2
178.05057	6.6
179.05603	5.7
183.06622	75.8
183.10191	4.2
184.06918	2.7
195.06636	3.1
201.07668	17.8
201.11374	4.8
213.05627	2.3
228.84583	2.2
233.08470	3.4
241.04999	6.8
242.76950	2.0
253.09824	2.8
256.07294	3.4
271.10501	1.8
275.09528	3.1
301.11826	7.1
303.77881	2.2
315.08707	4.5
319.12973	2.9
327.10712	2.6
363.11929	13.1
363.16541	35.7
364.11288	2.8
364.16675	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	362.1457
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00594	1.5
59.01381	100.0
59.54350	1.4
60.33342	1.2
61.98810	2.8
67.01889	1.8
69.83935	6.5
71.01381	26.1
72.99319	1.8
73.02942	2.3
75.00912	1.2
85.02962	5.2
87.00863	2.4
89.02441	31.1
94.74519	1.1
95.01437	1.2
99.00858	1.3
101.02450	10.7
111.00897	2.3
113.02458	12.1
117.20721	1.2
119.03490	13.1
120.99596	1.2
122.06120	38.5
125.02412	1.6
131.03497	2.0
139.00371	2.4
143.03491	3.7
149.04520	1.9
161.04518	7.3
167.01151	2.1
179.05626	14.0
182.99326	2.6
183.06584	1.3
183.99817	1.6
198.01646	1.2
239.60973	1.2
246.62547	1.1
250.06461	1.6
310.63538	1.2
327.04776	3.4
362.08212	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	362.1947
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	2.0
60.50417	0.5
61.98832	100.0
62.97192	0.5
67.29952	0.5
71.54785	1.2
75.03418	0.7
80.84145	0.6
127.46152	0.6
130.70323	0.6
215.30099	0.6
260.72116	0.6
362.19760	2.1
369.30478	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1061
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21037	3.6
59.01384	35.8
61.98823	5.0
71.01389	23.5
71.53288	5.2
73.02944	7.9
73.95254	3.5
79.27227	2.9
83.05004	3.7
85.02965	9.1
87.00871	13.2
89.02453	30.0
99.00875	5.3
101.02471	21.0
101.11474	3.3
111.00860	4.0
113.02427	11.1
119.03484	11.4
155.93596	3.1
165.07661	8.0
167.01176	6.3
179.05612	10.8
243.03656	3.6
296.42996	3.6
327.04831	12.3
327.12933	100.0
327.16812	6.5
328.13223	9.8
363.10330	29.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.9892
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	6.4
59.05225	0.3
60.01719	0.9
61.98830	100.0
69.46877	2.4
71.82443	0.3
77.65643	0.4
106.93767	0.3
121.02954	0.4
150.55750	0.3
162.74408	0.3
174.99290	0.6
177.96617	0.6
178.98558	0.6
194.46745	0.3
201.02466	1.5
203.02277	0.4
204.00011	4.5
204.02698	0.8
205.00090	1.0
206.97424	0.5
217.00255	2.0
218.00607	2.6
219.00696	0.5
219.97743	55.5
220.97849	1.0
220.99832	2.5
295.72299	0.3
302.79593	0.3
319.98007	1.1
361.98392	1.7
362.99374	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.2359
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68744	0.5
59.01381	20.0
60.92815	0.5
67.57784	0.5
69.56731	3.2
84.96503	0.5
94.60787	0.5
115.96444	0.5
118.28836	0.5
136.40669	0.5
184.08392	0.5
279.23279	100.0
280.23645	13.5
361.15363	9.2
361.23563	18.0
362.15524	1.0
362.24014	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51334	27.6
59.01372	100.0
60.03070	26.7
63.19765	26.1
64.06303	28.7
70.14926	98.1
70.15317	73.4
71.01349	37.0
128.63365	30.7
201.23878	32.6
241.90057	33.2
263.20013	44.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	6.3
59.01378	32.6
69.03461	0.7
69.18846	4.4
69.19253	1.2
71.01388	1.1
71.05032	2.6
72.99351	0.7
73.02967	1.0
83.05037	2.2
85.02950	1.0
85.06597	1.2
89.02423	1.1
95.05044	1.0
97.06602	1.8
98.19904	1.1
99.08170	1.2
101.06084	2.0
109.06612	2.5
111.08151	7.2
111.08813	0.8
112.08530	0.7
113.06098	1.3
115.07638	1.9
117.05600	0.9
118.73613	0.6
120.99622	1.0
123.08182	1.4
125.09709	3.0
127.07681	2.5
127.11298	3.5
129.09215	5.0
135.02992	0.8
139.11308	0.8
141.09262	1.9
143.10750	3.6
153.09294	0.6
155.10811	1.5
169.12386	1.2
171.10272	0.6
173.11876	0.6
179.14401	0.8
189.19742	0.5
195.13896	2.8
197.15442	2.3
199.09796	1.0
199.13411	2.1
209.15491	2.8
211.16991	4.9
217.14420	23.4
218.14821	1.4
229.18060	2.5
243.12347	3.1
255.19643	1.5
257.21127	5.1
273.20654	2.0
301.17035	0.7
301.20175	21.6
302.20547	2.1
315.08847	1.1
319.21219	100.0
320.21564	11.1
330.11060	1.3
361.09531	1.7
361.22290	40.5
362.22705	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.3
57.03448	7.0
59.01382	48.8
60.01723	1.2
65.78125	0.8
66.81165	0.7
69.03434	1.2
71.01380	8.7
71.05029	1.6
71.55047	0.7
72.99316	1.3
73.02941	4.1
75.31597	0.7
83.01396	1.2
83.05017	1.1
84.79765	0.7
85.02929	3.7
85.06590	1.3
86.00076	0.6
87.00876	1.6
89.02443	2.1
95.01389	0.9
97.06577	2.0
99.00846	1.4
99.04499	1.2
101.02453	6.3
111.00840	0.9
111.08150	1.6
113.02467	2.9
115.07670	2.1
123.08134	1.3
125.09723	7.0
127.07662	0.8
129.09221	2.3
137.09689	0.9
139.11302	9.9
141.09207	3.8
143.10793	0.9
155.10780	2.5
157.12323	1.0
181.12335	4.4
183.10272	8.5
193.15987	1.1
195.13921	1.8
197.15453	2.2
199.13414	5.0
199.15015	0.8
209.15453	2.8
211.17017	5.3
225.11255	2.4
243.12364	23.0
243.16025	1.2
244.12686	1.1
249.51163	0.7
253.18065	1.0
257.21179	3.0
273.20743	2.4
296.34518	0.7
301.20193	23.5
302.20520	2.8
319.21240	100.0
320.21600	10.7
361.09100	1.6
361.14981	5.3
361.18567	42.6
361.22382	41.0
362.19058	5.3
362.22748	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	361.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03368	3.4
57.03671	1.1
59.01297	38.0
59.01628	6.4
61.33240	0.5
69.03385	1.0
69.18347	6.1
71.01295	3.0
71.04931	3.4
72.99219	1.7
72.99593	0.6
73.02851	2.1
83.04972	1.1
85.02856	1.6
85.06520	1.2
87.04422	2.6
89.02338	0.8
95.01287	1.0
95.04974	1.0
97.06573	2.6
99.00750	0.7
99.04446	1.3
99.08092	0.9
101.02352	2.4
101.06071	3.8
109.06594	3.1
111.00759	0.7
111.08148	5.9
113.02343	2.3
115.07664	4.6
117.05470	1.7
120.99570	0.7
121.02898	0.7
121.06475	0.5
123.08068	2.1
125.09735	2.6
127.07523	2.4
129.09120	1.4
134.03624	0.8
135.08025	1.7
137.09711	7.0
139.11229	1.3
143.10791	3.5
146.53325	0.6
147.04436	1.0
148.95581	0.5
149.06047	0.5
153.09125	1.4
155.10774	57.6
155.12639	1.6
156.11142	3.6
161.04478	1.0
169.12325	1.0
173.11827	6.1
181.12236	1.4
195.13786	1.5
197.06038	0.8
197.08144	0.9
199.09749	52.4
200.10083	3.0
211.16943	0.6
231.06828	0.6
237.09132	0.7
241.10776	3.9
243.12292	0.8
253.17892	0.8
255.19687	2.9
257.21155	5.5
273.20639	4.8
281.08173	1.1
299.16531	2.0
301.16638	1.8
301.20154	20.1
302.20517	2.1
317.17404	1.0
319.21219	100.0
320.18011	0.9
320.21591	11.4
361.09720	3.4
361.18402	5.1
361.22372	33.2
362.22684	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	361.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.8
57.03439	1.9
58.00577	0.7
59.01380	16.8
62.16558	0.4
68.27218	0.4
69.03456	0.7
69.57936	0.4
69.66130	0.4
71.01379	12.0
71.55582	0.5
71.55976	0.6
72.99302	1.4
73.02943	4.7
83.01382	4.5
85.02948	7.5
86.00114	0.5
87.00874	1.0
89.02437	2.4
95.01372	1.1
97.02971	0.5
97.06596	0.5
99.00850	2.3
101.02437	9.7
111.00867	1.4
113.02451	4.1
119.03513	0.7
122.14134	0.4
139.11290	2.7
147.04520	1.8
148.04840	0.6
153.12816	2.1
155.10844	0.7
181.12312	1.0
199.13399	12.4
200.13753	0.5
201.11365	1.4
301.20071	0.8
319.21231	3.7
320.11258	0.6
361.18665	100.0
362.19046	13.5
362.23288	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.8
57.03439	1.9
58.00577	0.7
59.01380	16.8
62.16558	0.4
68.27218	0.4
69.03456	0.7
69.57936	0.4
69.66130	0.4
71.01379	12.0
71.55582	0.5
71.55976	0.6
72.99302	1.4
73.02943	4.7
83.01382	4.5
85.02948	7.5
86.00114	0.5
87.00874	1.0
89.02437	2.4
95.01372	1.1
97.02971	0.5
97.06596	0.5
99.00850	2.3
101.02437	9.7
111.00867	1.4
113.02451	4.1
119.03513	0.7
122.14134	0.4
139.11290	2.7
147.04520	1.8
148.04840	0.6
153.12816	2.1
155.10844	0.7
181.12312	1.0
199.13399	12.4
200.13753	0.5
201.11365	1.4
301.20071	0.8
319.21231	3.7
320.11258	0.6
361.18665	100.0
362.19046	13.5
362.23288	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1872
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64322	6.0
59.01379	100.0
71.00283	16.7
92.27977	6.3
138.84396	5.9
139.16872	6.2
149.32980	6.5
217.07239	37.3
282.20618	7.4
285.13425	16.0
286.13776	6.9
301.16602	80.8
302.16733	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	361.1142
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12140	3.7
53.25702	3.2
54.32693	2.9
59.01381	100.0
60.97002	3.3
61.98832	56.0
67.01903	24.3
68.41949	3.0
68.99806	4.1
69.03466	5.3
71.01378	45.6
71.17448	7.0
72.97530	25.2
72.99325	15.8
73.02952	10.0
74.58126	3.7
74.80837	3.3
75.00867	18.4
76.83295	3.2
80.91688	4.2
83.01393	5.7
85.02943	25.5
87.00881	15.6
89.02461	27.0
90.75159	3.6
90.77784	3.8
95.01412	12.5
99.00887	14.1
101.02470	22.1
104.20172	3.6
105.01904	6.3
107.05014	3.5
111.00881	59.6
113.02448	37.4
117.01917	3.4
119.03473	5.3
119.05032	7.0
119.06928	3.5
119.81317	3.1
122.06120	13.5
123.00891	93.9
124.01657	14.9
127.00419	6.1
129.01955	4.7
133.96814	5.5
134.93956	3.6
134.97578	5.1
137.02467	9.5
137.06075	6.4
138.03230	61.8
139.00372	13.0
139.04074	23.8
140.01166	8.6
140.03577	8.5
149.02371	5.1
151.04024	16.1
155.03488	9.0
157.01479	5.3
161.04556	21.7
163.04037	14.2
164.98280	10.4
166.02837	3.6
169.01436	3.4
170.04663	4.4
175.02298	4.1
179.05582	8.2
181.01524	3.6
181.05070	12.9
182.99344	20.1
198.01775	3.6
199.02603	4.5
199.06067	8.7
214.07191	4.4
215.17174	3.8
249.06146	50.9
301.09311	21.8
331.06659	4.1
361.07535	49.6
361.10971	6.2
362.08029	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2204
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10631	0.7
57.72799	0.7
58.97066	0.6
59.01381	24.1
70.61136	2.0
78.78853	0.8
81.59304	0.6
89.97047	0.7
99.52479	0.7
118.47802	0.7
138.18404	0.7
183.81181	0.7
190.72679	0.6
233.22701	1.0
277.21722	100.0
278.22101	10.7
359.22049	17.6
359.26364	1.0
360.22449	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	361.0928
Annotation	5,7,3'-Trihydroxy-6,4',5'-trimethoxyflavanone
Peak:m/z	Relative Intensity
59.01383	12.1
60.53612	1.2
65.67204	1.2
70.92957	2.7
71.01385	1.7
72.99308	20.5
80.96490	1.2
87.00874	2.1
89.02448	1.5
93.03477	2.5
97.06521	1.1
101.02433	1.7
102.98620	1.6
113.02441	1.5
117.98914	1.1
119.05048	2.4
181.06619	2.0
182.58585	1.3
185.09680	4.6
193.06575	7.8
195.08168	10.1
197.06085	27.5
198.06404	1.9
199.13377	2.6
207.08177	10.1
209.06084	3.1
209.09685	3.4
211.07620	3.9
211.11285	3.9
213.09192	7.3
219.08156	16.8
220.08643	1.7
223.07681	3.2
225.09169	12.8
235.07631	9.5
237.05621	2.1
237.09183	31.9
238.09583	4.3
240.07884	1.9
243.12320	3.9
251.07188	3.5
253.08679	32.3
254.08972	2.4
255.06677	2.8
255.10323	5.0
256.07123	2.2
257.08154	6.4
263.07059	5.9
269.08160	5.6
273.11365	2.3
281.08191	22.1
282.08548	2.6
297.07724	8.8
299.09308	8.8
307.06076	3.2
315.08728	70.8
316.09113	6.4
317.10358	4.2
325.07300	6.2
343.04056	2.9
343.08209	47.6
344.08615	6.4
361.09299	100.0
362.09625	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	361.1042
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	9.0
66.03479	1.4
71.01388	3.4
72.99313	2.0
73.02937	4.3
74.99102	2.3
83.05013	1.5
85.02941	1.7
87.00875	1.8
87.04533	1.4
89.02435	1.8
92.05044	1.7
94.90363	0.9
97.56625	1.1
98.20744	2.1
99.00868	1.7
101.02441	3.0
102.98575	1.4
104.05058	1.2
109.51157	1.1
111.00904	1.7
113.02464	1.5
118.03005	1.8
120.04558	45.2
120.68635	1.0
120.99651	3.6
121.04811	1.2
122.06114	3.6
132.04591	6.2
135.03024	1.1
136.99118	3.2
137.06046	1.7
138.05574	1.4
148.04050	25.7
149.04839	17.8
150.05562	4.0
155.10799	2.2
158.41708	1.1
161.04523	1.1
164.03528	5.5
174.05594	1.4
176.07216	1.8
179.03500	8.0
181.03822	23.2
182.04146	2.2
194.05760	1.2
197.08261	1.6
199.09866	1.2
201.11349	7.5
202.08784	1.3
209.15273	1.0
211.11307	1.3
212.05943	4.1
212.10777	15.9
213.10309	2.8
215.08212	1.2
225.02722	1.1
225.06737	2.6
226.07480	2.6
227.08292	6.0
227.10455	1.3
228.10262	4.0
229.06325	1.6
230.11751	1.5
237.09027	1.6
239.08278	1.9
240.08984	7.3
243.12227	4.1
244.04961	1.3
245.09396	2.5
255.11400	57.3
256.11896	5.2
257.09470	2.5
269.09293	3.7
273.12479	14.1
274.12851	1.1
285.08875	2.6
299.10413	13.2
315.08804	2.1
317.11386	4.8
331.08676	4.5
343.09354	12.3
346.10458	3.8
361.10352	100.0
361.14645	5.3
362.10532	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	359.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01890	0.6
57.03449	7.6
57.03709	0.6
59.01381	26.2
69.03458	5.6
69.27409	0.9
69.27814	3.3
71.01405	1.3
71.05033	1.2
72.99316	1.0
73.02944	4.0
74.88023	0.4
75.00904	0.6
75.19074	0.4
83.05049	2.2
85.02975	0.7
85.06612	1.7
88.14247	0.4
95.05051	1.2
97.02963	1.2
97.06592	2.2
99.00894	1.1
99.04495	0.5
99.08191	1.5
99.66632	0.4
101.06084	0.5
107.05037	1.0
109.06605	1.4
111.08189	1.7
113.06077	0.8
115.07684	1.4
120.99661	1.2
121.02960	0.5
121.10251	1.1
123.08171	3.2
125.06114	0.5
125.09741	0.5
127.07663	1.3
129.09221	15.5
130.09525	0.5
135.03023	1.5
135.11829	1.6
137.09767	0.8
143.07185	1.2
143.10797	0.5
147.04547	1.8
149.13373	1.6
153.01950	1.9
153.09268	0.5
153.12871	0.4
155.10751	3.4
160.05319	0.7
167.07216	0.5
173.09630	0.6
173.11829	1.7
175.07605	0.4
175.14999	1.1
179.10783	0.7
185.00938	2.4
185.09892	0.4
189.12885	1.6
193.16031	0.8
197.11838	1.8
199.09772	0.9
241.10809	3.1
253.18176	1.1
269.15533	1.2
299.18610	19.2
300.19031	2.1
315.15964	13.4
316.16214	1.8
317.19672	100.0
318.19992	11.8
329.13940	1.2
359.07895	0.7
359.14868	4.2
359.20734	28.4
360.15005	0.8
360.21069	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1532
Annotation	Unknow
Peak:m/z	Relative Intensity
58.25494	0.3
59.01366	0.8
61.98832	0.4
62.87580	0.4
71.54760	0.6
161.06381	1.0
217.07207	1.2
261.04279	0.5
266.67780	0.4
275.06073	0.7
277.07523	3.2
278.07709	0.5
343.12158	0.5
357.13818	2.9
359.15344	100.0
360.15494	18.6
377.16376	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.0984
Annotation	Syringic acid beta-glucopyranosyl ester
Peak:m/z	Relative Intensity
55.01862	0.6
58.70256	0.6
59.01380	2.8
69.03452	1.7
70.66804	1.1
71.01373	1.9
73.02967	0.7
80.38361	0.5
83.01385	0.6
85.02930	0.7
95.01400	3.9
99.00861	0.8
102.98594	1.6
110.02500	0.8
123.00891	44.9
124.01239	1.8
137.02423	1.3
138.03229	55.2
139.03546	1.9
151.04025	0.6
153.01958	1.8
153.05576	17.8
154.05904	0.7
156.40398	0.5
161.08168	0.7
166.99875	13.2
177.99059	0.8
181.01381	0.7
182.02220	41.9
183.02539	1.6
185.01001	0.9
197.04556	100.0
198.04898	5.6
206.38017	0.6
239.05453	0.6
240.08760	0.5
288.57095	0.7
310.14072	0.7
359.05878	1.1
359.09790	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	359.1248
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	9.0
68.99819	20.5
71.01392	1.5
71.55345	0.8
73.02928	2.4
73.12088	0.7
80.04578	1.3
80.05058	24.8
81.05405	1.0
83.05038	1.3
85.02942	1.2
92.59334	0.9
102.98695	0.8
104.05046	4.1
107.03760	2.5
108.04565	1.6
109.02973	0.8
116.05032	0.9
120.99598	2.1
122.06122	19.0
129.05594	1.6
132.04552	100.0
133.04904	5.5
133.10229	3.7
134.06140	2.2
134.10510	0.8
135.03036	1.0
135.11761	1.6
144.04570	2.7
147.04510	0.8
150.05595	26.3
151.05922	1.4
152.07170	53.8
153.07507	3.5
153.09196	1.1
162.05565	1.6
197.11816	9.7
199.09772	2.1
215.09241	2.0
241.10835	11.0
292.44766	0.9
297.12430	45.9
298.12860	6.2
315.09787	1.5
315.13483	25.3
315.17371	1.2
316.13724	2.5
317.19797	1.3
359.08551	1.3
359.13412	5.2
359.20676	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1346
Annotation	Semperoside
Peak:m/z	Relative Intensity
55.01870	3.3
57.03439	3.6
59.01379	44.4
61.98843	1.3
66.65333	0.9
69.03465	12.1
71.01385	44.3
71.01778	2.6
72.97529	1.6
72.99310	3.8
73.02955	9.9
74.99087	2.9
75.00864	1.6
83.01389	6.0
84.25504	1.1
85.02953	18.3
87.00872	7.3
89.02446	17.9
95.01410	3.8
97.02951	3.1
98.19788	2.2
99.00882	6.7
101.02441	30.7
102.98579	2.2
108.02161	1.9
109.02969	1.9
111.00858	1.9
113.02454	18.1
115.99780	1.2
119.03516	8.0
120.99651	3.1
121.02975	2.4
122.03738	21.4
123.04538	10.0
124.01659	1.6
125.02441	1.4
131.03525	2.2
133.06555	1.2
135.02997	2.6
135.04538	2.2
135.08163	1.8
137.02457	3.4
137.06078	2.8
141.01962	1.6
153.01900	2.0
153.05592	3.5
154.02750	1.5
159.03001	2.7
159.64122	1.2
161.04552	7.4
161.08263	2.7
164.04753	3.6
179.03513	2.5
179.05537	2.6
179.07124	7.5
182.04312	2.3
182.05841	33.0
182.08183	1.4
185.00920	3.8
197.04527	4.5
197.08180	100.0
198.08521	7.1
239.05649	2.4
241.07184	8.3
241.10782	2.4
271.10059	2.0
359.09622	6.0
359.13516	39.0
360.10071	2.4
360.13776	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	359.0983
Annotation	Syringic acid beta-glucopyranosyl ester
Peak:m/z	Relative Intensity
51.73265	0.9
57.03439	2.5
59.01376	11.3
60.64724	0.9
61.98809	1.4
63.01043	0.9
68.80797	0.9
69.03442	2.0
69.32555	8.3
71.01379	5.5
72.99318	2.6
73.02941	3.3
74.99075	1.5
75.00862	1.9
85.02946	3.0
87.00869	3.5
87.04515	2.8
89.02428	2.0
95.01389	1.1
97.06599	1.2
98.19788	1.2
99.04506	2.0
101.02429	2.7
102.98615	1.2
103.03986	0.9
107.05014	2.0
109.02942	3.3
113.02453	1.6
117.01935	2.0
120.99653	5.3
121.02995	1.1
123.04503	2.3
125.02429	1.5
125.09773	1.5
133.06625	1.1
133.10184	1.8
135.03058	1.7
135.04478	1.8
138.03235	6.4
139.03888	1.0
141.01936	1.3
143.96259	0.9
147.04478	1.0
150.05588	4.3
151.04022	10.0
151.67963	1.0
152.04800	23.8
153.01944	2.1
153.05589	25.1
153.09230	1.0
154.05951	1.4
155.05388	1.3
159.04584	1.1
165.05545	1.6
166.02713	0.9
173.06116	1.1
173.11786	2.6
174.03093	1.2
175.03981	2.2
176.63283	1.0
178.02721	39.1
179.03233	3.7
179.10811	1.5
185.01039	1.1
189.05630	1.3
190.06409	1.0
191.07126	1.1
196.03775	100.0
197.04268	8.8
197.08257	0.9
197.11865	5.7
199.09741	3.6
205.08720	1.9
208.07449	1.6
208.41721	0.9
241.05072	3.9
241.10829	8.0
255.06593	1.8
269.08267	1.6
287.09265	1.1
299.09326	1.3
303.12122	0.9
313.10706	1.6
315.13492	3.3
329.10501	1.2
341.08749	5.9
344.12665	6.2
359.09842	93.5
359.14633	10.3
360.10150	9.3
360.14706	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.0772
Annotation	Sarothrin
Peak:m/z	Relative Intensity
55.01870	2.7
56.34582	0.7
57.03450	1.1
57.72343	0.8
59.01385	5.7
59.76783	0.7
67.01888	1.2
68.99833	4.5
69.03448	7.9
70.72406	1.2
70.72736	1.1
71.01379	11.5
72.99309	1.2
73.02973	1.0
74.99105	0.7
76.74531	0.8
79.01899	1.2
81.03461	3.1
83.01396	9.7
83.05025	1.1
85.02956	1.8
95.01409	2.3
96.99300	1.1
97.02943	5.4
99.00866	1.9
103.05540	5.9
107.01356	1.1
109.02956	3.0
109.45507	0.7
111.00877	15.2
111.04514	2.5
113.02424	1.4
119.05013	1.0
121.02983	2.2
123.00880	2.1
125.02444	4.0
127.00373	2.2
135.00945	1.3
137.02444	3.2
139.00342	2.7
139.03964	1.2
141.01979	1.1
147.04517	100.0
148.04854	5.0
149.02548	0.9
151.00365	1.6
153.01912	1.7
153.83568	0.7
155.10735	1.5
165.01930	2.7
167.03473	5.5
169.01414	2.0
173.05971	0.9
182.71606	0.8
183.02988	3.0
193.01398	1.0
211.02379	4.4
295.46198	0.8
299.18622	2.3
311.20264	0.8
315.15985	1.3
317.19659	6.6
359.07733	24.2
359.17068	1.0
359.20740	1.2
359.24518	0.9
360.08038	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	359.0773
Annotation	Sarothrin
Peak:m/z	Relative Intensity
51.92850	0.8
55.01876	2.1
59.01378	2.5
65.03962	0.6
67.01904	1.1
68.99823	6.3
69.03457	6.0
71.01384	12.2
72.99323	1.4
77.30643	0.8
79.01861	0.8
81.03456	3.2
83.01396	10.7
83.05036	1.2
85.02953	1.6
87.00837	0.8
93.03473	2.2
95.01395	3.1
96.99335	1.7
97.02955	6.3
99.00882	2.9
103.05535	6.1
107.01434	0.7
109.02942	3.4
111.00881	15.4
111.04539	1.4
113.02457	2.0
118.70580	0.8
119.05025	2.0
121.02934	2.8
123.00888	2.0
125.02440	6.3
126.01633	0.9
127.00382	2.6
135.00916	1.6
137.02440	4.1
139.00398	3.5
141.01924	1.7
147.04530	100.0
148.04883	6.9
149.02396	1.5
151.00398	3.2
153.01904	2.7
165.01921	5.2
167.03500	3.7
169.01425	3.2
183.03023	4.4
193.01337	0.7
211.02501	6.8
299.18353	1.1
317.19604	1.5
359.07733	21.3
359.12039	1.3
359.20645	0.9
360.08182	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	359.0387
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	4.3
58.01778	3.6
59.01369	19.1
61.98831	11.5
68.99821	9.1
69.03461	8.4
69.58036	18.3
69.58440	9.2
71.01379	40.4
72.99314	47.5
73.02946	7.0
75.00880	11.5
77.73724	5.2
83.01385	17.3
84.60568	4.3
85.02969	12.3
87.00873	66.6
89.02412	6.4
93.03466	4.7
95.01371	6.9
97.02976	12.0
98.20772	4.4
99.00904	21.7
100.05326	3.9
101.02438	14.4
111.00865	26.0
113.02454	16.6
115.00368	22.5
117.01955	6.8
122.68084	4.8
123.00888	45.1
125.02469	24.8
127.00375	100.0
129.01930	36.6
135.03003	7.2
135.04507	6.7
137.02460	4.3
138.03229	52.0
141.01956	9.1
147.03003	6.2
153.01938	8.6
153.05536	12.8
154.99855	9.1
157.01401	42.8
166.99918	7.9
169.01404	12.6
172.49062	4.6
175.02477	48.4
175.07579	5.4
182.02177	40.1
197.04562	97.1
198.04842	6.4
199.02505	30.1
229.03587	36.8
257.03009	9.6
287.04123	62.1
288.04605	5.3
305.05109	54.7
315.55280	4.4
323.06253	7.0
350.33167	4.5
359.10071	8.9
360.09546	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	359.075
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	12.2
59.21798	3.5
61.25954	3.2
61.98828	11.8
68.99796	4.3
69.45991	7.1
69.46399	17.9
71.01388	16.0
72.99306	15.4
73.02978	4.2
75.00877	5.4
83.01417	8.3
85.02940	3.8
87.00872	36.2
89.02422	5.0
95.01372	4.9
97.02948	4.2
99.00876	7.6
101.02460	7.2
102.98561	6.4
105.01933	6.8
105.54398	4.0
111.00870	4.5
113.02473	6.2
115.00374	7.1
123.00887	33.4
123.04512	9.2
125.02435	7.9
127.00352	28.8
128.03365	3.8
129.01941	8.1
135.02992	4.4
135.04495	11.2
137.02443	4.6
138.03217	51.0
139.00398	3.6
153.01903	6.0
153.05592	18.1
157.00024	4.4
157.01384	9.6
166.99811	6.6
175.02487	10.7
182.02231	34.0
197.04549	100.0
198.04890	4.2
199.02449	4.9
229.03493	6.6
241.07137	6.2
257.07727	4.8
287.04083	12.3
305.05063	10.9
359.10056	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	359.0386
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23942	5.7
52.48882	5.8
55.84825	5.8
59.01386	22.3
61.98827	13.6
69.68745	29.0
71.01384	44.3
72.99323	36.1
73.02946	14.0
78.24014	6.6
83.01396	19.4
85.02964	17.2
87.00884	100.0
89.02449	19.3
96.47731	7.2
97.02935	7.2
99.00919	32.9
101.02440	17.1
103.00407	7.2
109.02943	6.5
111.00892	21.5
113.02462	17.2
115.00372	33.4
119.03553	8.6
125.02459	25.9
127.00364	87.6
129.01941	38.9
132.68933	5.9
135.04559	15.5
137.02394	8.6
141.01965	6.3
151.00346	7.4
153.01985	35.9
154.99815	9.1
155.85822	6.3
157.01430	41.1
159.03061	14.2
169.01427	9.0
175.02513	43.6
175.52237	6.2
179.05699	8.3
199.02460	18.8
222.88536	6.6
229.03561	36.0
255.26785	7.8
287.04059	58.6
305.05136	37.0
309.26358	6.8
359.07199	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	357.1193
Annotation	Grevilloside E
Peak:m/z	Relative Intensity
50.16867	0.5
51.70404	0.5
53.58744	0.6
55.91832	0.5
59.01381	20.8
61.98834	1.3
63.87680	0.5
66.37460	0.5
69.03460	1.0
69.63571	2.6
69.63989	1.1
71.01381	1.9
73.02948	0.8
76.50188	0.5
77.19701	0.5
77.97066	0.5
85.02957	1.6
87.00911	0.7
89.02464	0.7
97.07279	0.5
98.20708	0.6
99.00902	0.6
101.02450	0.8
101.16215	0.5
108.02172	2.0
109.02942	0.8
113.02443	0.7
113.78899	0.5
119.05029	3.0
121.02958	2.3
121.15192	0.7
123.04520	3.8
124.01663	1.5
125.02522	0.6
133.06569	0.7
134.03717	0.7
135.02965	0.8
135.04543	9.2
136.05305	12.7
137.02472	0.5
149.06293	0.5
150.03288	0.8
150.06825	1.4
151.04021	2.9
151.07652	2.9
152.07167	0.8
159.02954	0.6
164.08423	0.7
176.08443	1.0
177.05568	1.7
177.09204	0.6
179.07143	0.6
185.00920	1.2
189.96321	0.6
194.09488	1.4
195.06622	100.0
195.10245	3.3
196.06976	6.3
234.88525	0.5
238.02402	0.6
289.31863	0.5
342.11270	0.6
357.12033	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	357.1377
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74137	0.4
53.49478	0.4
56.52759	0.4
59.01377	1.8
71.56037	0.5
77.39054	0.5
84.90774	0.5
120.99655	100.0
122.00018	1.9
122.99220	0.8
147.04474	0.5
176.98906	0.4
203.74329	0.5
211.11250	0.8
219.31870	0.4
223.97670	0.5
225.13126	0.7
251.14391	0.7
269.15527	1.4
313.14514	4.9
314.15045	0.8
315.18167	2.7
329.81454	0.6
357.13507	0.8
357.19308	0.8
357.26443	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.1142
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23896	0.4
57.03445	1.8
59.01380	9.0
60.48188	0.4
69.03454	1.4
69.18520	3.2
69.18917	1.1
71.01388	2.3
71.05026	1.2
72.99303	0.8
73.02950	0.9
81.03445	0.5
83.01392	0.9
83.05020	0.6
83.94273	0.4
85.02970	1.1
87.04507	0.6
89.02445	0.9
89.55290	0.4
95.01411	0.8
97.02901	0.5
97.06586	0.8
97.28102	0.4
101.02449	1.4
101.06099	1.5
108.08198	100.0
109.06588	0.9
109.08531	4.3
111.00939	0.5
113.02473	2.1
115.07660	1.4
120.08211	2.2
121.02971	0.8
123.04541	1.0
123.08225	0.5
125.09756	0.7
132.08194	1.1
135.03008	0.7
135.04518	1.8
145.02956	0.7
146.42117	0.4
147.03325	0.6
147.04521	5.2
148.07674	2.0
149.06125	0.7
149.13353	0.4
150.03163	0.5
152.07173	76.9
153.01968	0.6
153.07538	3.2
153.09241	0.6
155.10794	1.6
161.02422	0.5
161.06110	0.5
163.03975	2.1
164.07159	1.3
166.08728	15.0
167.03540	0.5
167.09009	0.7
174.03246	1.8
175.04024	6.1
176.03485	0.4
176.04764	2.4
176.07185	1.3
177.05670	0.5
179.07159	1.2
180.04268	2.1
180.07922	3.5
188.04865	1.1
189.05492	2.2
190.06363	5.7
191.07138	4.2
193.05069	3.1
194.05846	1.0
194.08217	9.2
195.08574	0.7
195.10258	0.8
196.06155	53.6
197.06441	3.6
197.11781	0.7
199.09715	0.7
199.11421	0.6
203.07204	0.7
203.70844	0.4
205.08707	4.4
207.06587	0.8
208.07455	4.5
222.08931	0.4
223.09756	6.4
227.10757	1.1
238.07239	9.0
239.07515	0.6
243.07753	1.0
255.19670	1.0
283.09723	0.5
298.09259	4.3
299.09683	0.5
299.18610	4.5
315.16010	0.6
317.15991	1.1
317.19672	17.2
329.14078	0.5
344.12787	1.2
358.11377	5.3
359.08279	2.1
359.15039	12.0
359.20779	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	359.0146
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80660	0.3
56.15821	0.3
57.17434	0.3
59.01378	81.3
60.01710	1.0
61.98834	1.6
70.10986	1.2
70.11365	0.7
72.99307	0.4
90.97134	0.9
95.80401	0.4
107.71155	0.3
128.46057	0.4
132.98190	2.0
157.03587	3.2
159.01491	0.8
170.67427	0.3
174.99245	21.7
175.99620	0.8
201.02541	24.3
202.02705	2.9
217.00287	100.0
217.98370	0.6
218.00592	3.9
218.98294	0.4
241.32573	0.4
274.79950	0.4
293.60794	0.4
317.00626	0.9
320.32617	0.4
328.89484	0.4
359.01505	3.9
360.01550	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2853
Annotation	2-Oleoylglycerol
Peak:m/z	Relative Intensity
59.01351	1.3
60.50060	1.1
60.50360	1.2
61.98819	3.1
75.76064	1.3
75.89966	1.3
83.23099	1.1
85.02964	2.9
100.98041	1.3
159.09595	1.4
228.97502	1.2
272.98694	1.2
274.56107	1.8
293.28491	66.2
294.28790	9.7
311.29666	1.7
334.76578	1.4
337.27487	19.3
338.27808	3.1
355.28525	100.0
356.28784	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	356.0987
Annotation	cyclo-Dopa 5-O-glucoside
Peak:m/z	Relative Intensity
51.13237	0.2
57.03462	0.4
59.01379	2.2
69.79207	0.5
69.79622	1.3
71.01367	1.7
72.99288	0.3
74.47894	0.3
85.02952	0.9
89.02459	0.8
95.01376	0.5
98.19956	0.4
101.02418	0.7
103.99946	0.3
106.06628	100.0
107.06958	4.6
108.08189	5.6
111.08221	0.3
113.02445	1.6
118.06635	0.8
120.08189	0.7
121.18027	0.3
130.06653	0.5
130.08723	0.4
131.03767	1.5
132.04529	0.7
134.06076	0.4
136.07674	0.5
146.06123	1.0
150.05606	49.9
151.05931	3.1
162.05624	0.4
164.07166	10.4
165.07484	0.7
174.05595	1.0
182.67468	0.3
192.06648	6.9
194.04579	28.0
195.04939	1.5
204.94420	0.3
207.50696	0.3
236.05594	3.6
296.07794	2.8
315.18088	1.1
356.09766	5.9
357.10330	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23334	4.1
59.01379	7.5
59.81637	5.0
61.98830	100.0
65.36718	4.5
66.21082	4.6
68.12155	4.3
69.54100	31.3
79.66708	4.6
98.19913	9.9
121.02946	17.0
127.00426	4.4
155.37843	4.7
165.37259	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	356.2362
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32607	34.8
59.01366	47.2
59.42699	31.4
60.70333	29.8
61.98811	60.3
70.67822	63.6
78.13422	33.3
94.98083	35.9
99.90901	31.4
121.02947	100.0
142.17104	31.3
161.02641	29.9
356.28815	43.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.0615
Annotation	3,8-Dimethoxy-5,7-dihydroxy-3',4'-methylenedioxyflavone
Peak:m/z	Relative Intensity
56.64024	0.2
57.25927	0.2
60.77316	0.2
69.57114	0.7
69.57526	1.0
77.03976	0.4
81.33157	0.2
84.53805	0.2
93.03424	0.6
94.02956	0.2
121.02953	100.0
122.02448	0.3
122.03275	4.4
143.97911	0.2
154.96684	0.3
165.01941	1.1
180.05801	1.8
181.06586	7.3
182.06953	0.5
193.50658	0.3
199.07674	0.2
204.05922	0.3
206.86267	0.3
217.87886	0.3
225.03458	0.5
225.05568	6.2
226.05922	0.8
271.07108	0.6
295.61536	0.3
313.07150	7.2
314.07474	1.0
357.06134	29.4
357.23001	0.4
358.06467	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	355.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	2.4
59.01383	26.0
69.03451	2.8
71.01370	2.1
71.05019	2.2
71.55506	0.8
72.99314	4.7
73.02953	3.0
75.89699	0.5
76.16803	0.6
81.03465	1.2
83.05029	4.5
85.02947	5.1
87.00860	0.7
87.04506	1.2
93.07109	1.1
99.04508	3.3
101.06081	1.4
103.21770	0.7
109.06564	2.4
111.04510	2.5
113.06087	1.3
115.07643	0.8
116.04504	0.7
120.99660	53.6
121.99964	0.8
123.08216	0.7
125.06086	2.4
129.05614	0.6
130.06352	1.4
131.07130	2.0
137.09651	1.1
143.07129	0.7
145.08707	5.3
149.06035	1.1
149.09718	1.0
150.54886	0.6
163.11307	0.7
183.10274	1.4
189.12885	0.7
194.97513	1.1
209.02892	1.2
215.58176	0.6
225.05963	2.0
225.11195	1.2
233.15552	0.8
251.16495	1.1
269.13940	1.4
277.14502	1.0
295.15497	18.0
296.15820	1.4
313.16565	100.0
314.16882	11.0
345.31165	0.7
355.17599	8.6
356.17950	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	4.7
58.00587	1.0
59.01379	33.5
69.03442	2.8
69.39167	2.6
69.39594	3.7
71.01376	4.6
71.04996	1.7
72.99297	5.7
73.02939	2.6
81.03440	1.1
83.05019	3.5
85.02950	7.0
85.04486	0.8
87.00860	1.1
93.07108	1.4
95.05036	0.9
97.02937	1.3
99.00915	0.7
99.04528	3.7
101.02441	0.7
101.06067	1.1
102.98602	5.6
109.06588	1.9
111.04509	2.6
113.02443	1.9
113.06100	1.0
120.99689	1.3
121.06623	1.4
123.04546	1.3
123.08190	1.0
125.02409	1.1
125.06073	3.1
127.07674	1.4
129.01852	0.9
130.06326	1.3
131.07126	2.0
135.04521	2.3
135.08107	1.4
136.05254	3.0
142.09250	0.7
143.03474	2.2
145.08748	4.0
149.06068	1.7
149.09717	2.0
152.04823	1.1
153.09256	0.9
163.00769	0.8
163.11278	1.3
165.09109	0.8
165.12793	3.9
169.08653	1.3
175.11288	3.0
177.12871	1.5
178.09972	1.6
179.09569	0.8
179.10817	8.0
183.10223	0.9
189.12918	1.0
191.01897	0.8
191.10703	0.8
193.12321	18.3
194.12709	1.6
197.11870	1.5
203.10805	0.8
209.02988	1.7
209.11801	2.7
210.03566	0.8
221.11835	2.0
225.05875	2.5
225.11322	2.4
231.10258	1.1
237.11295	33.3
238.11549	2.2
249.11287	1.3
251.12784	1.2
251.16510	0.9
269.13940	1.6
277.10727	1.3
277.14435	1.3
290.12579	0.8
295.06299	0.8
295.15485	17.7
296.15811	2.5
307.10873	0.7
313.16550	100.0
314.16882	11.2
327.14548	4.8
337.12946	3.0
355.13657	2.5
355.17642	5.3
355.21292	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	355.2278
Annotation	19-(2-furyl)nonadeca-5,7-diynoic acid
Peak:m/z	Relative Intensity
51.78162	1.5
57.09344	1.1
59.01378	1.4
69.54304	7.3
85.02953	2.2
109.02988	3.2
111.00845	2.3
111.90429	1.3
122.03730	12.1
123.80511	1.2
125.06139	1.2
127.07687	2.4
135.03496	1.7
135.04526	30.5
136.01657	3.6
136.04913	1.7
147.08243	2.1
149.06078	1.9
149.09749	7.2
151.07649	3.4
154.02736	2.0
161.09729	10.6
163.07674	2.6
163.11284	59.1
164.08417	17.9
164.11650	3.3
165.09171	11.0
177.09207	78.6
178.09969	22.8
179.10760	87.5
180.11070	6.8
183.10271	2.4
187.11281	2.3
191.10741	16.4
193.08685	11.3
280.14618	4.8
288.28485	1.2
298.15717	57.0
299.15988	8.4
299.49005	1.2
307.16861	2.2
322.19452	1.3
332.87292	1.1
337.21710	48.5
338.21942	6.7
340.20413	90.4
341.20712	12.7
355.22791	100.0
356.23141	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	355.1585
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51190	0.4
59.01374	3.3
69.24387	3.9
72.99303	0.8
80.95444	0.3
85.02950	2.1
111.04548	0.4
117.17079	0.4
120.99655	100.0
121.06557	0.7
122.00030	1.8
127.00304	0.4
182.89627	0.4
191.01872	0.5
209.02942	0.5
216.48392	0.4
281.04291	0.4
286.80035	0.5
295.15582	1.6
313.16544	9.0
314.16992	1.1
355.08524	0.5
355.16238	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	355.1186
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14919	1.4
59.01379	15.3
69.19651	4.3
69.20076	10.8
71.01383	100.0
72.01714	1.7
72.99297	4.4
85.02953	3.3
87.00877	2.2
105.63994	1.3
113.79750	1.5
119.05025	42.9
147.04514	13.5
168.75839	1.5
179.98720	1.4
191.08659	10.7
193.10233	3.2
194.86234	1.5
203.44678	1.4
205.10216	31.5
206.10568	2.7
207.11783	63.8
208.12106	5.9
209.02954	1.4
209.09679	5.9
221.09656	2.4
223.11276	1.8
233.09712	5.4
239.10739	4.1
244.68320	1.6
251.10751	23.6
252.10989	2.8
267.10065	3.4
295.09738	89.5
296.10013	10.0
296.46594	1.3
313.10812	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	355.1034
Annotation	1-O-Feruloyl-beta-D-glucose
Peak:m/z	Relative Intensity
51.28051	0.7
55.34681	0.8
57.03427	1.5
59.01379	7.9
63.97414	0.6
69.03452	2.4
70.98330	0.9
71.01369	3.6
71.54897	1.4
72.99289	1.9
75.00862	0.8
83.01402	0.8
85.02953	6.5
87.00878	2.0
89.02460	2.1
93.03453	1.1
95.01414	0.8
97.02943	2.4
99.00887	1.1
101.02451	2.3
107.01358	0.8
113.02438	1.0
119.05046	1.5
121.02970	1.3
129.01941	1.4
132.02187	8.4
133.02945	1.5
134.03743	62.6
135.03044	1.1
135.04082	3.4
137.02454	7.7
137.06053	0.9
139.04033	1.5
147.04526	1.0
149.02383	0.8
149.04890	1.4
149.06085	18.9
150.03262	0.8
150.06433	1.1
160.01659	39.3
161.02023	2.7
164.01118	1.3
165.01918	0.8
175.03998	54.7
176.04391	4.6
178.02715	32.3
179.03047	2.1
191.01962	1.0
191.07123	0.9
192.00656	1.0
193.01491	3.4
193.05057	100.0
194.05417	6.5
196.91229	0.8
203.01974	2.6
209.03040	3.5
217.05066	3.4
219.03027	0.8
235.06111	1.7
237.71503	0.9
267.03326	3.4
295.08374	1.0
355.07468	1.3
355.10373	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	355.0671
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	3.3
56.58592	1.0
57.03449	15.5
59.01382	10.3
59.45579	0.9
70.86366	2.1
71.01373	9.2
72.99335	1.9
73.02971	1.6
75.00852	2.2
79.29337	1.2
83.01399	1.5
84.02175	2.3
85.02951	100.0
86.03297	3.0
87.00890	2.7
101.02457	1.7
103.00350	2.1
111.00878	1.7
119.05050	4.6
129.01945	10.4
131.03485	1.0
133.01443	2.2
147.03000	7.2
163.03920	2.4
173.00879	1.8
191.01976	28.9
205.87871	0.9
209.03020	44.9
210.03337	2.3
227.84833	1.0
372.26324	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.067
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	2.3
57.03451	13.5
59.01376	9.2
71.01385	8.5
72.99308	2.3
75.00856	2.8
83.01397	1.4
84.02175	2.5
85.02953	100.0
86.03285	2.5
87.00879	3.2
89.02442	1.8
99.00890	1.0
99.02683	0.9
101.02475	1.1
103.00368	1.7
115.68855	1.0
119.05022	4.2
127.00321	1.8
129.01939	10.5
132.04501	0.9
133.01442	1.6
147.02962	7.9
163.03992	2.6
191.01984	27.7
194.04504	1.2
203.28755	1.0
209.03020	52.0
210.03334	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1034
Annotation	1-O-Feruloyl-beta-D-glucopyranose
Peak:m/z	Relative Intensity
59.01381	9.4
70.67601	1.1
71.01384	4.7
72.99332	0.7
85.02959	2.8
87.00888	1.6
89.02430	3.0
96.35081	0.4
101.02458	1.6
103.95638	0.4
113.02454	2.2
117.03439	0.5
119.03492	1.2
121.02909	0.4
132.02168	14.0
134.03749	9.8
135.03038	0.4
135.04156	0.6
137.02567	0.5
137.06055	0.7
147.04553	1.1
149.06091	2.5
151.58858	0.5
160.01654	69.1
161.01984	4.1
162.03380	0.5
174.03163	0.6
175.03995	100.0
176.04372	6.5
191.01993	0.7
191.07121	2.1
193.05051	15.3
194.05586	0.6
202.02747	1.0
207.06723	0.6
209.02943	0.7
217.05069	6.1
218.05438	0.6
219.03046	1.0
235.06050	3.0
295.08179	1.1
355.10330	5.2
356.10660	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1427
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	4.7
59.92453	0.7
71.01398	1.0
71.55791	1.3
72.99295	3.4
73.02964	0.8
75.00893	0.8
87.00849	0.8
96.96019	1.0
101.02448	1.0
102.98602	1.9
113.02448	1.4
128.17223	0.9
191.05641	1.8
204.75175	0.7
207.08472	2.2
223.11613	100.0
224.11963	9.3
295.09613	0.8
337.02750	0.9
348.84152	0.7
353.23169	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	353.1427
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	4.7
59.92453	0.7
71.01398	1.0
71.55791	1.3
72.99295	3.4
73.02964	0.8
75.00893	0.8
87.00849	0.8
96.96019	1.0
101.02448	1.0
102.98602	1.9
113.02448	1.4
128.17223	0.9
191.05641	1.8
204.75175	0.7
207.08472	2.2
223.11613	100.0
224.11963	9.3
295.09613	0.8
337.02750	0.9
348.84152	0.7
353.23169	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	353.1867
Annotation	Kopsinoline
Peak:m/z	Relative Intensity
59.01369	7.6
61.61893	3.3
61.98833	7.3
69.46359	29.7
90.20258	4.1
98.19943	7.6
133.12062	4.3
171.10213	15.6
191.05591	24.5
204.96558	3.7
232.77061	4.0
249.41724	4.7
277.21725	23.2
295.22787	32.9
353.18607	100.0
354.18695	15.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2001
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34100	0.4
57.25055	0.3
59.01379	1.2
60.27226	0.3
63.95311	0.3
64.97010	0.5
69.95332	0.8
69.95728	0.7
79.95739	11.9
80.96519	1.2
85.02949	0.4
92.02916	0.3
94.98093	1.0
95.95233	2.2
96.96011	87.1
97.95981	0.4
122.97569	4.7
138.97037	0.5
139.83511	0.4
157.98628	0.4
163.11348	0.5
165.96991	0.4
183.17468	0.4
191.05632	2.3
208.63515	0.3
297.64209	0.4
353.20007	100.0
354.20316	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	353.2119
Annotation	Guayulin B
Peak:m/z	Relative Intensity
57.11583	0.2
59.01377	0.5
71.24701	0.3
71.25037	0.3
72.60346	0.2
72.76405	0.2
79.95747	1.1
85.02947	0.2
96.95375	0.5
96.96009	8.5
104.62276	0.2
107.05017	0.3
115.26828	0.3
122.97581	0.5
143.25636	0.2
147.08041	0.3
150.75200	0.3
163.11285	98.2
164.11610	7.1
166.11571	0.3
177.09206	73.1
178.09547	5.1
190.10042	0.5
191.05630	0.8
193.03242	0.2
194.05814	0.4
222.08914	0.7
332.50546	0.3
337.18048	0.2
353.21167	100.0
354.21530	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	355.067
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97590	1.0
55.01876	2.3
57.03452	13.5
59.01385	10.4
68.99805	1.5
69.73778	5.4
71.01375	6.5
72.99310	2.9
75.00877	1.7
78.83368	0.9
79.39489	0.8
83.01389	2.4
84.02158	2.1
85.02950	100.0
86.03301	1.9
87.00881	5.9
89.02439	3.2
98.20694	1.0
101.99529	0.9
103.00340	1.6
111.00877	2.1
119.05029	2.8
127.00410	2.6
129.01942	9.4
133.01422	3.4
147.03014	7.5
157.01485	1.2
163.03984	1.2
173.00945	1.7
188.63791	0.9
191.01981	29.8
196.01834	1.2
209.03023	67.8
210.03357	2.9
260.50497	0.9
355.06607	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1708
Annotation	Vindolinine N-oxide
Peak:m/z	Relative Intensity
59.01374	7.2
66.53602	1.4
67.84141	1.3
71.55007	1.5
73.50353	1.2
85.57939	1.3
96.96038	2.2
121.10252	8.1
121.10969	1.3
133.36819	1.5
171.10269	18.2
229.04770	2.2
245.09935	1.6
275.20145	21.9
276.20639	3.0
287.77942	1.4
293.21249	13.1
294.21704	1.7
305.44629	1.5
351.17068	100.0
351.25189	3.2
352.17416	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	352.0673
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02737	1.7
58.94817	1.6
59.01374	2.1
61.98830	100.0
63.18386	1.6
69.60495	2.2
69.60897	9.5
72.99326	2.6
81.55729	1.5
82.21923	1.4
82.65601	1.6
85.95470	1.6
107.87577	1.6
123.03005	1.9
192.65254	1.6
232.96562	1.7
329.83469	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.2161
Annotation	Unknow
Peak:m/z	Relative Intensity
54.71788	1.5
59.01365	4.9
59.48480	1.6
61.98823	2.8
64.77803	1.2
66.77322	1.3
71.54453	1.4
71.82951	1.2
79.95732	11.2
80.18118	1.3
95.95229	5.1
96.96013	95.8
97.40864	1.1
113.33919	1.3
135.52426	1.5
152.00229	4.8
169.23296	1.2
179.48050	1.3
187.41138	1.2
191.05602	2.5
308.19040	3.9
352.21622	100.0
353.21933	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	351.0939
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85670	2.4
59.01380	100.0
61.98839	3.6
71.01386	36.0
71.53973	3.2
72.99315	6.1
73.02931	5.5
81.03471	2.3
83.01405	4.6
85.02944	14.7
87.00882	47.3
89.02460	24.0
93.03471	2.5
99.00887	25.6
101.02451	29.3
111.00868	4.0
113.02468	21.4
119.03516	31.4
123.04518	10.8
127.04034	4.2
129.01956	6.2
137.02483	6.6
153.01929	5.8
153.05582	20.8
155.03549	5.9
165.72118	2.8
313.11380	8.8
315.10895	6.7
351.08798	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	351.1296
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.7
57.03438	2.4
58.00588	0.7
59.01378	14.9
61.98817	1.7
63.62413	0.6
67.01906	0.9
68.99837	0.9
69.49049	4.3
71.01382	14.2
72.99302	4.6
73.02946	2.5
75.00874	13.8
79.95729	0.5
83.01406	1.2
85.02947	16.3
87.00872	6.7
89.02451	3.9
92.04982	0.7
95.01381	3.7
99.00882	7.9
101.02438	1.9
101.06081	100.0
102.06413	3.1
103.00414	1.4
108.04615	0.6
111.00903	1.3
113.02445	19.0
115.00392	1.7
117.01942	2.7
122.06119	1.4
125.09685	0.6
129.01952	1.4
138.05586	1.7
146.06119	0.7
157.01404	0.9
161.04642	0.6
166.05049	0.8
167.05878	0.6
168.06702	0.8
175.02455	1.7
187.09729	0.9
189.04031	0.7
189.11288	1.5
203.12880	1.1
212.05693	2.8
219.12306	1.6
231.05081	2.0
233.13988	0.6
235.08485	0.7
249.06145	14.5
250.06378	0.8
289.11984	0.8
291.10733	1.4
307.13058	2.6
319.18585	0.6
333.11923	2.4
351.12924	48.7
351.16455	3.2
352.13336	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	3.2
59.01381	71.6
60.01725	1.3
65.41136	0.8
69.03438	0.8
69.67025	0.7
71.01387	9.6
71.05016	2.9
71.54784	1.3
72.99297	2.1
73.02948	8.1
75.00892	1.7
83.01411	1.4
85.02948	3.9
87.00874	1.6
87.04500	4.8
89.02473	4.2
97.06589	3.0
99.00903	1.2
99.04538	1.2
99.08155	8.7
101.02437	5.9
101.06081	3.1
108.04555	1.1
113.02443	3.0
113.09724	3.3
115.07621	1.4
117.01978	1.0
117.05602	1.4
119.03484	1.8
122.06106	1.6
123.08271	0.8
125.06096	1.0
125.09707	2.2
127.07674	5.3
128.08012	1.0
135.02977	4.0
138.05577	1.4
141.09271	2.1
143.07141	2.1
143.10780	12.6
152.03603	1.0
157.12398	2.6
160.45210	0.9
161.04610	2.1
163.24092	0.9
166.05133	2.3
167.05884	1.8
167.10692	0.9
169.08708	2.3
171.06630	1.0
171.10262	3.5
171.14008	0.9
174.49484	0.7
186.50017	0.9
187.09772	1.4
189.11330	10.2
189.37312	0.8
203.09233	10.7
210.04095	0.9
213.11304	1.2
215.12842	4.6
219.12361	2.7
233.13924	100.0
234.14288	8.2
235.08447	0.9
264.12314	1.2
289.11786	1.6
291.07071	1.1
307.12967	4.6
351.11938	5.3
351.16571	70.4
351.20081	2.5
352.17026	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	349.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.2
57.03452	1.3
59.01381	100.0
60.01711	1.3
69.34974	6.1
71.01376	11.8
72.99294	0.7
73.02959	2.6
83.01405	2.3
85.02959	4.7
87.00898	1.5
89.02441	5.1
95.01398	1.2
97.02966	0.7
99.00896	1.3
99.08195	0.7
100.47189	0.7
101.02442	7.9
113.02448	4.7
119.03479	1.0
119.05006	0.7
127.12481	0.8
131.63765	0.7
137.02466	0.7
143.05075	1.2
159.03008	0.8
161.04570	6.4
171.10292	1.2
189.21527	0.7
231.12408	1.3
231.16200	0.7
307.17587	9.6
308.17792	0.8
338.61868	0.9
349.13239	2.2
349.18903	2.2
350.13202	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66642	0.9
55.01867	1.4
57.03446	2.2
58.00586	3.6
59.01380	100.0
60.01693	1.3
61.98840	1.4
71.01382	60.3
71.55423	1.1
72.01748	1.1
72.99299	7.1
73.02933	2.3
78.66657	1.0
83.01385	2.9
85.02951	11.6
87.00870	3.3
89.02444	57.0
90.02780	1.2
93.71572	0.9
95.01389	4.2
99.00867	1.1
101.02445	42.0
113.02446	21.2
114.02778	1.4
114.81651	0.9
117.44036	1.1
119.03512	29.5
131.03465	3.0
141.12833	1.7
143.03461	2.4
149.04474	1.5
152.86441	1.0
161.04575	3.1
169.12337	3.0
179.05556	3.4
187.11826	1.1
187.13354	5.4
212.65340	1.0
260.33417	0.9
349.18674	39.6
350.19055	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	351.0852
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08792	0.9
54.91164	1.0
54.91802	0.8
59.01381	6.3
63.77358	0.9
70.07966	4.0
71.01374	1.6
89.02435	1.5
101.02410	1.8
101.73569	0.9
110.87324	0.9
123.04530	49.3
124.04832	2.1
127.07619	2.1
128.43845	1.0
129.70270	0.9
135.03011	0.9
153.05573	100.0
154.05882	4.2
171.06589	1.6
289.11816	0.8
291.31750	0.9
315.10828	18.0
316.11258	1.3
335.06082	0.9
351.20212	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	349.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62828	0.7
52.00216	0.7
55.01872	3.8
55.69072	0.9
57.03447	3.0
58.00592	3.2
59.01380	100.0
60.01720	2.2
61.98822	2.8
69.03436	1.1
69.42776	3.4
69.43211	2.7
71.01384	70.0
72.01717	2.0
72.34019	0.7
72.99306	4.3
73.02950	8.8
83.01375	4.8
85.02948	21.3
87.00871	4.2
87.04530	1.3
89.02448	56.3
90.02776	1.3
93.03461	3.5
95.01376	4.7
97.02923	1.1
98.20652	1.6
99.00883	3.5
101.02441	42.9
102.02821	1.2
107.25071	0.8
113.02449	26.3
119.03508	25.0
125.02425	1.4
131.03517	2.2
137.02444	4.8
141.09225	0.8
143.03540	4.8
149.04538	2.2
153.12712	0.8
159.03012	2.2
161.04561	13.5
162.04852	0.9
179.05565	6.2
183.10258	1.6
187.09818	1.4
187.13417	8.4
189.11298	4.2
231.12389	1.0
250.72101	0.9
305.11584	1.1
349.13974	2.0
349.18710	9.1
350.19028	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1866
Annotation	Sachaloside VII
Peak:m/z	Relative Intensity
57.03427	1.1
58.00584	3.0
59.01379	88.9
59.91453	0.9
69.03452	0.9
69.36185	2.3
69.36591	5.2
71.01380	46.2
72.99310	3.2
73.02934	2.8
74.99095	5.9
83.01381	3.8
85.02946	9.0
87.00865	2.1
89.02444	46.9
95.01389	3.6
99.00880	1.2
101.01785	2.0
101.02441	30.9
102.63215	0.7
106.37573	0.8
109.17652	0.9
113.01723	1.1
113.02454	16.4
114.02821	1.1
114.94196	1.0
119.03513	23.0
131.03508	1.1
136.99130	5.0
141.12836	2.2
143.03503	1.6
149.04541	1.6
161.04553	1.5
169.12328	15.5
170.12608	0.9
179.05634	2.5
187.13356	6.0
221.97620	0.9
224.42688	0.9
230.28378	0.9
272.11630	1.0
297.40018	1.0
349.18655	100.0
350.18924	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	349.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.0
59.01381	100.0
60.01726	0.9
69.36912	2.0
69.37332	4.6
71.01389	13.9
72.99299	1.4
73.02953	4.6
74.99120	1.9
74.99520	0.8
80.05043	1.2
80.29597	0.8
80.96526	1.0
83.01380	2.1
85.02952	6.0
87.00900	1.0
89.02462	5.9
95.01374	1.5
96.96030	2.0
99.00880	2.0
101.02451	11.6
110.87039	0.9
111.00927	0.9
113.02446	6.3
119.03510	2.3
119.05067	1.8
123.01025	0.9
123.56629	1.1
125.02535	0.9
136.99196	1.3
137.02385	0.8
139.00391	1.0
143.03499	1.0
143.05025	2.4
145.12260	0.8
147.04517	0.9
159.02962	1.1
161.04578	6.6
169.12363	1.3
171.10188	1.3
187.03975	2.3
231.12428	1.4
231.16138	1.7
239.19220	0.8
245.79700	0.8
298.38171	0.9
307.17627	9.5
349.09515	1.1
349.13269	4.8
349.18988	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	349.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	2.9
57.03448	7.4
58.00578	3.2
58.99591	1.1
59.01379	100.0
60.01697	1.7
68.99817	1.2
69.03452	1.0
71.01382	75.1
71.13657	1.2
72.01717	1.8
72.99299	6.2
73.02942	13.2
73.04071	2.0
75.00868	6.2
82.02972	0.9
82.16974	0.7
83.01390	6.6
84.02159	0.8
85.01855	0.9
85.02448	1.6
85.02953	27.2
87.00880	6.6
87.04517	2.7
89.02445	59.9
89.47096	0.8
94.15181	1.0
95.01387	6.8
95.16905	0.8
96.04572	1.9
97.02955	0.9
97.06583	1.1
98.02458	1.5
99.00877	8.4
99.04522	32.0
99.05168	1.6
101.02440	49.7
101.06062	0.9
102.02751	1.9
102.98611	4.5
113.02453	36.3
115.00356	0.9
119.03506	25.8
120.99635	3.1
121.06663	1.0
125.02437	1.7
125.09801	1.0
127.07658	5.5
129.01926	1.3
131.03502	3.6
137.02415	1.0
139.05147	3.4
143.03497	5.7
147.04486	1.6
149.04594	2.4
156.03014	0.8
159.02997	3.3
161.04556	17.2
162.04842	1.1
164.07153	2.7
166.01466	1.2
169.08591	1.7
171.06650	2.1
174.05667	1.0
177.10355	1.2
179.05602	7.0
183.10266	3.9
187.09755	1.4
187.13393	10.6
189.07660	2.8
189.11334	4.3
191.04628	1.0
201.11348	3.1
219.10544	1.5
219.65546	0.8
227.09135	1.0
231.05132	1.2
231.08519	1.6
231.12344	2.8
233.09308	1.8
243.11560	1.0
244.83878	0.8
249.06143	7.0
259.11157	0.8
267.07065	1.0
274.15152	0.8
274.61496	0.8
287.10446	5.5
289.16537	1.5
303.09760	2.3
305.11157	2.3
321.48624	0.8
331.09381	3.5
349.11087	21.2
349.14951	6.5
349.18646	32.7
350.11481	1.8
350.15332	1.1
350.18842	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	349.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37772	0.6
53.72484	0.6
55.01874	2.8
57.03445	3.0
58.00592	4.0
58.99614	1.4
59.01379	100.0
60.01698	0.8
69.03478	1.9
69.57224	4.0
69.95400	0.6
70.43519	0.6
70.60382	0.6
71.01382	75.6
71.05003	0.8
72.01724	1.2
72.99306	3.9
73.02944	8.6
73.04064	4.9
78.93072	0.6
80.34451	0.5
81.07106	0.7
82.02985	1.6
83.01385	5.3
84.64426	0.5
85.02949	17.7
87.00875	4.4
87.04534	0.9
89.02445	66.2
90.02813	1.1
91.05534	1.0
93.03461	5.1
94.02990	0.7
95.01394	5.4
96.04545	1.5
97.02938	1.0
98.02487	2.1
99.00878	3.0
99.04559	0.7
101.02444	47.9
101.06091	0.7
102.02799	1.6
102.98598	11.3
108.93824	0.6
110.20815	0.6
111.00930	1.2
112.04074	1.8
113.02446	28.6
119.03507	25.1
120.99670	1.7
125.02454	1.1
129.06725	0.8
131.03546	2.7
133.05193	0.9
137.02461	7.7
139.05161	4.7
143.03499	6.6
147.04501	3.8
149.04578	2.7
149.59891	0.7
151.05194	1.7
155.04695	1.6
156.03076	1.6
157.06223	1.3
159.03014	1.8
161.04558	15.3
161.05873	0.9
164.07164	6.8
166.01518	2.7
169.01567	0.8
170.70848	0.6
177.10416	1.4
179.05589	9.1
179.06981	0.7
183.10291	1.1
184.02596	1.4
187.13394	8.1
188.13777	0.6
189.11392	2.3
201.11382	0.7
208.81157	0.5
215.09213	0.7
217.59439	0.6
219.10703	0.8
243.11433	3.6
257.09589	0.8
287.10355	8.1
288.10870	1.1
303.09976	6.6
305.11584	1.5
331.09378	4.5
332.10013	0.9
349.06085	1.5
349.10516	6.9
349.14618	2.4
349.18668	13.8
350.10513	1.0
350.19302	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04386	1.0
55.01873	1.5
57.03444	2.6
58.00601	1.8
59.01381	76.0
61.98812	1.2
69.32257	6.0
71.01385	44.2
72.99311	5.3
73.02971	5.8
74.99087	1.0
83.01392	3.5
85.02962	10.0
87.00871	3.3
89.02447	39.1
90.02807	1.0
95.01395	4.3
97.19133	0.9
99.00892	2.1
99.05576	0.9
101.02448	25.0
101.40619	1.0
102.98585	2.4
108.04570	2.3
110.06127	9.0
111.00920	1.3
113.02451	19.0
114.02849	1.0
119.03502	18.2
120.03844	1.6
120.99638	1.3
122.06137	2.5
123.08145	1.0
125.02448	1.6
125.09724	1.7
127.07654	1.1
128.03346	1.0
131.03455	1.4
132.13110	0.9
136.07629	1.4
143.03491	2.3
149.04500	1.4
160.07668	1.2
161.04605	3.2
169.08699	100.0
170.09029	6.3
179.05609	7.2
183.10323	1.3
187.09711	2.2
190.12424	1.6
201.07657	1.4
231.08853	1.1
231.12354	1.9
233.09270	1.5
233.13013	4.7
259.07144	1.1
268.41876	1.1
271.06201	2.9
274.24469	0.9
277.11957	7.9
278.12119	1.2
286.08469	1.2
287.10071	1.1
301.10760	1.9
305.11423	2.0
331.09448	2.2
331.13824	4.7
334.00339	1.0
349.10809	2.9
349.15015	47.9
349.18744	4.1
350.15302	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	349.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17677	0.7
59.01377	14.4
63.30270	0.7
71.01385	2.9
71.55043	0.8
73.02941	1.8
83.05074	0.7
85.02935	1.5
87.04503	1.3
89.02438	2.0
95.01402	0.7
95.05038	1.4
97.06579	2.4
101.02434	1.6
102.75272	0.6
102.98617	0.9
103.66734	0.6
113.02465	2.3
113.13433	0.6
123.08164	10.7
125.09724	33.1
126.10043	1.5
135.60472	0.6
139.07706	1.6
142.16856	0.6
143.10732	2.5
161.04535	0.9
169.08694	5.6
171.10281	1.4
187.09750	100.0
188.10081	5.4
201.11363	2.1
229.10765	3.1
231.12285	0.9
254.21916	0.7
284.43787	0.6
322.00693	0.6
349.09253	1.0
349.13568	1.8
349.14981	1.2
349.18808	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1291
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	28.9
69.03451	4.9
71.01382	19.5
73.02914	5.0
79.05532	100.0
83.05032	8.1
84.97307	4.0
85.02934	6.6
92.52525	3.5
95.05022	35.0
97.06580	27.6
99.04472	6.3
101.02409	5.2
107.05005	7.0
109.06564	4.2
111.04493	13.0
113.02464	4.8
121.10193	5.3
122.03727	4.4
133.06538	4.4
135.08183	5.5
139.04018	77.6
140.04802	71.6
141.05537	13.1
147.04498	4.1
147.08122	7.8
149.09685	15.1
161.09744	4.3
172.03778	14.5
189.12842	56.4
199.14978	20.4
203.14284	4.9
204.87062	4.1
205.12386	4.3
217.15979	15.4
233.15358	5.6
243.13919	8.8
261.14966	43.3
305.13925	93.1
306.14252	10.5
312.50830	4.4
349.12863	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	349.1043
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41813	1.6
55.01876	3.1
57.03442	4.8
58.00585	3.8
58.99603	8.0
59.01381	100.0
60.01703	1.6
61.67516	1.5
69.03468	3.0
70.33642	5.7
71.01384	78.9
72.00903	2.5
72.99306	4.6
73.02946	18.6
73.04064	18.5
75.00887	1.6
82.02996	12.0
83.01388	7.9
83.02504	2.9
83.05022	2.0
84.00909	5.0
85.02958	21.0
85.90171	1.4
86.76263	1.6
87.00865	6.8
87.04482	3.7
88.22789	1.5
89.02448	55.3
91.05541	4.8
93.03467	6.7
94.02997	2.4
95.01384	4.9
96.04561	9.8
96.95998	1.6
97.02921	3.2
97.06590	2.1
98.02472	8.6
99.00868	6.2
99.04494	2.0
100.04025	2.8
101.02445	47.7
102.89367	1.6
102.98600	55.2
106.02983	2.2
110.02471	2.7
111.05630	4.3
111.08102	2.5
112.04035	8.9
113.02447	29.0
113.09707	3.2
114.02766	1.7
116.05133	1.6
118.06573	2.5
119.03505	28.6
120.99647	13.2
121.04166	2.0
122.02459	5.1
122.06100	1.6
124.04045	2.5
125.02427	3.8
127.07581	1.6
131.03485	3.2
135.04631	2.0
137.02507	11.4
137.03461	3.2
138.05627	4.7
139.05138	30.9
140.03580	2.8
141.09215	3.6
143.03503	6.2
144.38689	1.9
147.04512	16.3
151.05090	8.6
155.04631	11.1
156.03032	9.3
157.06198	6.4
159.02988	2.6
161.04565	18.5
161.08127	2.8
163.00717	3.4
164.03490	4.6
164.07150	29.2
165.07568	2.1
166.01468	12.9
169.08638	2.4
174.05577	3.2
175.08676	2.0
177.10361	10.4
178.03787	4.2
179.05620	8.5
183.10252	13.7
184.02568	7.3
185.11871	1.7
186.05589	3.9
187.02582	2.6
187.09773	1.8
187.13390	8.9
189.11327	62.9
190.08719	5.5
190.11644	5.1
191.04628	6.3
201.11226	7.6
217.06105	1.8
218.11768	8.7
219.10616	6.4
221.09248	3.4
227.09239	2.5
231.12389	5.7
233.09299	17.8
243.11436	13.9
244.05040	2.8
244.09654	2.8
245.09296	2.9
259.07187	7.7
259.10931	1.8
261.12354	5.9
271.07104	5.2
277.08197	2.4
287.10364	53.2
288.10580	6.1
302.59091	1.5
303.09866	29.8
305.11496	11.4
331.09311	39.3
332.09665	5.7
349.10306	69.9
349.14639	8.5
349.18674	49.3
350.10608	6.2
350.14746	2.2
350.18930	4.8
356.92407	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1992
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94756	36.8
59.01361	50.9
61.98827	55.5
71.11855	78.5
73.60033	39.2
76.58003	34.9
79.68506	40.3
114.16252	36.4
114.98921	46.4
116.49756	32.1
153.23608	40.0
183.55443	37.7
311.22186	100.0
326.90170	39.4
347.18469	51.4
347.22388	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	348.2754
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
61.98835	4.7
71.01366	4.3
71.55241	3.9
72.20459	2.3
89.02406	2.7
97.18745	2.1
143.10301	2.4
164.07405	2.1
168.03374	2.4
182.35341	2.4
269.04456	3.4
349.20209	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	348.9861
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	0.9
59.75636	0.1
61.98829	100.0
62.98544	0.2
62.99246	0.1
63.99246	0.1
70.66998	0.1
70.67323	0.1
71.01392	0.1
112.55772	0.1
162.98473	1.9
163.98581	0.1
164.96419	0.4
203.99960	0.5
205.00099	0.4
205.99701	0.5
206.97438	68.8
207.97534	5.8
265.71762	0.1
348.98608	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1042
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62547	1.7
56.98022	1.7
59.01385	21.7
65.99863	3.1
69.03467	2.4
71.01376	9.7
72.99303	2.0
73.02946	11.8
74.99097	2.0
78.38356	1.4
82.02992	14.8
83.01410	2.0
85.02959	5.0
87.00909	2.2
87.04499	2.8
89.02477	4.9
94.03025	1.5
97.01187	10.7
97.06580	1.9
99.04539	1.6
101.02435	3.3
102.98618	3.9
104.05088	1.6
106.02971	7.4
106.06655	5.7
108.04554	1.6
110.15096	1.7
113.02457	4.4
119.03563	2.8
120.04565	2.1
120.99651	3.9
122.06110	9.6
132.04573	4.3
136.04056	3.3
138.05588	11.9
141.00157	4.1
146.09772	1.7
148.04100	1.4
148.07660	1.9
149.03610	2.2
149.04805	4.1
150.05652	2.8
154.05069	9.4
155.05290	1.4
161.04733	3.3
163.05199	5.6
164.03543	33.6
165.03940	2.0
171.08476	7.4
174.05641	4.7
175.06448	2.0
176.10808	3.9
179.76114	1.4
183.10164	2.2
188.07266	2.0
188.62552	1.6
189.11435	1.8
190.08759	28.8
191.04623	30.5
192.44363	1.6
201.07713	1.9
201.11336	9.4
202.08768	6.0
204.05386	1.7
205.06384	1.9
217.06192	13.1
218.06950	2.2
218.11873	39.7
219.07692	2.4
219.12010	2.8
228.06715	2.1
229.06169	3.4
231.07608	8.3
231.12419	6.9
233.09311	81.9
234.09673	6.7
243.07750	2.6
244.04897	14.1
244.09808	10.6
245.09312	17.1
258.06497	5.1
259.07220	34.5
260.07675	2.5
261.12442	19.4
262.12918	2.7
263.10602	1.7
271.07233	26.4
272.07779	5.2
277.08429	7.0
287.10370	54.0
287.13602	3.8
288.10709	4.3
301.10962	2.2
305.07895	3.0
305.11429	58.1
306.11874	7.2
307.17844	1.8
313.08228	1.9
331.09320	52.7
331.12686	2.5
332.09766	6.9
349.10468	100.0
349.14896	18.6
349.18979	5.9
350.10770	13.5
350.15076	3.2
371.75406	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.171
Annotation	Kankanoside E
Peak:m/z	Relative Intensity
55.01875	6.4
57.03450	7.4
58.00589	2.2
59.01378	56.6
60.81319	1.1
69.03458	2.0
69.48100	8.1
71.01380	100.0
72.99314	3.3
73.02947	35.5
75.00880	1.7
81.03467	1.8
83.01385	12.0
85.02949	45.0
85.06625	1.1
87.00871	6.4
87.49464	1.0
89.02439	20.6
95.01396	6.8
97.02950	3.0
97.06577	9.8
99.00883	12.0
101.02444	62.9
102.02762	2.1
102.98544	1.4
103.00335	1.6
113.02450	46.6
114.02755	1.2
115.07644	2.7
115.92062	1.4
116.92850	2.5
119.03501	7.0
125.02428	1.8
129.01915	2.4
143.03487	4.2
145.05038	3.1
159.02974	12.2
161.04555	68.3
162.04858	2.6
163.42819	1.1
167.10793	1.2
179.05562	2.1
185.11812	2.2
187.09772	1.0
215.09239	1.2
217.08954	1.6
224.96956	1.1
225.00980	1.3
231.15147	1.0
235.08235	6.4
259.11868	2.6
277.12894	8.8
285.12378	1.4
329.11472	2.3
329.15573	1.6
336.65805	1.1
347.07861	2.4
347.11655	6.4
347.17041	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	347.1991
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01239	33.5
57.47564	26.7
59.01368	45.4
61.98840	64.9
70.57285	100.0
71.01376	38.2
87.51874	27.0
91.88510	29.8
94.63419	26.4
103.30119	30.5
104.81506	31.0
124.21417	28.6
124.63112	29.4
144.02536	29.8
160.39876	32.7
171.10217	38.0
202.84492	28.8
261.18143	29.5
302.81210	33.4
311.22198	94.1
343.91574	29.4
347.22220	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	347.0985
Annotation	Stilbericoside
Peak:m/z	Relative Intensity
57.03448	3.8
59.01376	100.0
61.98815	4.3
65.69779	3.0
69.03441	5.1
69.42223	17.2
69.42645	7.8
71.01380	55.1
72.99299	11.3
73.02963	18.3
74.99084	5.0
75.00884	6.2
79.05560	3.9
79.95745	10.0
80.96514	8.9
83.01369	4.1
85.02945	39.7
87.00877	20.7
89.02454	11.4
93.03459	4.4
95.01374	5.0
95.05019	6.9
97.02948	8.2
97.06596	6.0
99.00873	6.0
99.04505	3.8
101.02457	24.2
102.98578	4.3
107.05041	4.3
109.02934	8.3
109.06556	3.4
111.04498	4.4
112.04021	13.7
113.02438	20.0
113.04398	3.6
115.03960	6.5
119.04992	3.6
120.99648	6.6
121.06588	4.1
123.04480	6.2
123.08180	6.3
124.04004	6.4
125.02422	12.2
125.06071	6.7
127.04041	5.4
127.07649	5.0
131.03497	15.7
135.04509	3.1
136.99141	4.6
137.06091	7.5
139.00371	2.9
139.04060	5.6
141.05571	3.9
147.06616	14.7
149.04489	3.6
149.06030	8.9
151.04013	3.7
151.07622	7.7
153.99065	6.6
154.99861	34.9
155.07156	5.6
159.30998	3.3
161.04649	15.7
161.05730	3.5
165.05566	22.8
166.05061	22.1
167.03450	4.5
167.05423	22.5
167.06987	24.9
169.01398	13.0
169.04993	5.1
170.02190	60.8
179.05652	3.8
179.07176	15.4
182.08191	5.3
183.08495	6.5
184.06152	9.1
185.04579	42.3
185.06232	4.9
185.08159	8.5
197.08205	11.1
199.06044	4.1
209.08214	6.0
223.06032	4.2
227.09351	4.1
250.47018	3.6
271.84421	3.4
286.96057	3.7
311.28067	3.7
317.12543	3.4
323.92407	3.6
347.09302	6.8
347.13095	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	346.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	3.1
59.01377	40.4
61.95143	2.0
61.98837	4.1
69.03462	4.3
69.65308	4.3
69.65706	11.5
71.01382	41.2
72.99302	6.2
73.02948	14.9
74.77217	2.1
75.00871	4.9
78.95905	3.1
81.03456	3.2
83.01392	8.8
83.04986	2.6
84.04528	2.7
84.95335	2.6
85.02958	27.9
87.00874	15.6
89.02445	10.4
93.03465	5.9
95.01422	5.2
95.05041	5.3
97.02964	5.9
98.19917	2.3
99.00874	4.1
99.04539	5.6
101.02438	23.3
104.55098	2.1
109.02970	6.6
109.06574	2.6
110.02460	7.3
112.04047	61.1
113.02444	17.4
113.06104	4.7
115.04001	6.1
119.49678	1.9
120.99654	6.7
121.06591	4.4
122.06099	6.6
123.04536	5.6
123.08152	6.0
124.04054	49.3
124.04874	3.6
125.02500	3.8
125.06108	2.8
127.04022	3.8
127.07619	2.8
129.01976	2.6
131.03471	13.6
136.07669	2.8
137.06084	7.6
139.07634	3.0
140.07207	10.7
141.05632	2.2
143.03481	2.7
147.04558	2.4
147.06654	5.7
149.06084	7.1
151.03999	3.4
151.07680	4.8
154.99887	7.0
161.04559	6.0
161.05867	2.6
165.05524	17.9
166.05089	96.4
167.05728	3.7
167.07127	22.8
169.01350	3.6
169.08681	4.0
170.02200	12.4
179.07111	9.1
180.06688	3.0
183.03008	2.4
184.03419	5.0
184.06137	100.0
185.00871	2.0
185.04535	10.0
185.06491	5.2
185.08148	6.5
189.03922	3.1
190.02626	3.9
197.08185	14.1
198.07744	4.4
205.04967	3.1
208.06174	7.3
209.08218	5.7
223.06125	2.6
225.07663	3.1
226.07222	25.3
227.09268	4.5
233.06664	2.3
256.08340	4.1
265.20102	2.1
299.11285	6.0
344.48035	2.3
347.10220	2.2
347.13586	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	346.1141
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	1.1
59.01381	25.7
63.83760	0.9
69.03448	1.2
71.01383	17.8
71.54337	1.6
72.99325	1.6
73.02944	3.9
76.14578	0.9
79.95747	1.5
80.96532	1.5
83.01382	2.0
85.02950	8.4
87.00883	4.2
89.02454	3.3
95.05035	4.2
97.02920	1.6
99.00878	1.8
101.02411	4.5
107.05034	1.3
109.02940	1.0
110.02457	1.3
111.04507	1.3
112.04046	37.3
113.02431	4.6
113.04392	2.1
120.99676	2.3
121.03008	1.0
121.06596	1.3
122.06132	2.4
123.04538	1.9
124.04050	16.6
125.02431	1.1
125.06086	1.2
126.05609	3.3
127.04028	1.1
131.03517	2.9
137.06169	1.1
138.05664	1.1
139.03996	1.2
140.07195	5.0
140.11702	1.0
141.05597	1.0
147.06635	3.9
153.99013	1.7
154.05103	6.5
154.08720	1.2
154.99864	8.1
161.04590	2.3
165.04131	1.1
165.05551	3.2
166.05093	100.0
167.05423	5.4
167.07097	3.9
169.01385	2.6
170.02225	13.9
174.87970	1.1
179.07172	3.9
182.08215	27.2
183.08569	1.5
184.06139	21.0
185.04602	7.2
185.08168	2.0
191.07092	1.3
197.08191	2.2
198.07707	1.6
208.06207	1.9
215.66852	1.0
226.07184	11.2
227.07405	1.7
299.11221	1.2
328.10446	4.1
346.11551	18.7
347.12988	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	346.0115
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10007	0.2
54.38066	0.2
58.95328	0.2
59.01070	0.2
59.01374	4.0
60.01719	0.2
61.98827	100.0
69.80137	1.0
82.98231	0.2
94.58266	0.2
152.89215	0.2
201.02505	0.4
202.02702	1.3
203.02228	1.7
203.99980	44.1
205.00125	3.8
224.97412	0.2
281.68362	0.2
346.01245	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1191
Annotation	Iridoid glycoside
Peak:m/z	Relative Intensity
51.06305	0.7
57.03454	1.2
58.00573	1.1
59.01382	26.6
69.03447	1.2
71.01382	13.5
71.54961	1.4
72.99299	1.6
73.01176	1.2
73.02940	3.4
81.54677	0.8
83.01389	1.0
84.74084	0.8
85.02917	3.6
87.00873	0.9
89.02449	8.2
95.01392	2.3
101.02452	6.8
102.98557	1.0
108.59697	0.8
110.69678	0.9
113.02472	6.2
113.06076	1.7
119.03474	2.9
120.99636	1.5
121.06581	3.2
124.07682	1.3
132.04535	4.4
133.05321	3.0
135.08215	1.1
136.34476	0.7
139.07654	100.0
140.07973	4.8
141.09207	3.0
149.02451	1.5
153.09232	2.2
161.04552	1.5
163.07579	1.1
165.04253	2.6
165.05548	2.0
174.51242	0.8
181.08775	1.2
183.06631	44.7
183.10188	2.8
184.06941	2.6
185.00868	0.9
185.08246	0.9
214.12540	0.8
215.07411	1.1
215.11496	0.8
221.09520	1.0
225.07675	2.4
227.09062	0.7
257.12863	4.9
271.10742	0.9
283.10779	1.9
301.11823	5.9
303.18152	1.2
323.14243	0.9
337.42935	0.8
345.10825	10.1
345.15332	2.6
346.11044	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.109
Annotation	Miraxanthin-V
Peak:m/z	Relative Intensity
59.01373	3.0
65.33627	0.8
71.55590	1.1
72.99300	0.9
84.04546	0.7
94.03019	0.6
95.03770	2.4
96.04530	0.7
96.08179	1.2
104.05047	1.7
106.06631	5.9
113.06025	0.8
120.04541	0.8
120.99610	1.1
122.02494	0.8
122.06125	3.3
124.07687	9.4
132.04555	41.4
133.05344	26.9
134.06122	6.1
138.05626	1.4
146.02472	0.9
148.04028	2.1
150.05608	2.3
165.04301	24.1
176.03481	1.2
176.07143	0.8
177.04340	5.3
178.05060	1.8
184.07648	1.3
185.08461	1.1
185.11801	1.3
186.09230	5.5
198.09279	0.9
209.03333	5.3
212.10692	0.8
213.06729	3.9
214.12390	10.0
215.11858	8.2
221.09612	1.2
222.10280	0.7
226.07324	1.1
229.09854	4.5
240.10364	1.4
241.09865	3.6
255.11417	1.3
257.08548	2.7
257.12936	28.3
258.13193	2.8
268.08707	0.9
283.10818	11.0
301.11945	22.2
302.12244	2.1
303.18185	1.6
327.09680	2.7
345.10870	100.0
346.11221	12.2
352.88889	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1092
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73548	0.7
57.03443	0.9
58.82465	0.9
59.01146	0.8
59.01385	9.3
68.99837	0.8
69.64536	4.8
70.03828	0.8
71.01379	3.7
74.99077	1.0
75.18584	0.8
84.04551	1.5
85.02967	2.2
89.02444	2.9
93.03419	0.9
94.02937	0.8
95.03760	5.0
96.04574	1.2
96.08196	2.2
97.01714	0.9
101.02428	1.8
104.05059	3.6
106.06625	12.2
108.04540	0.9
113.02406	1.1
119.03503	1.0
120.99630	0.8
122.06135	4.4
123.03323	0.8
123.04513	1.2
124.07680	13.6
125.07948	0.9
130.88672	0.9
132.04556	68.4
133.05356	39.1
133.06238	0.8
134.06158	10.2
136.04048	1.0
138.05641	1.3
141.09271	1.1
146.02467	1.2
148.04028	3.5
150.05571	4.0
155.66176	0.9
165.04308	38.0
166.04657	2.4
176.03465	1.1
176.07156	1.6
177.04326	6.8
178.05077	4.2
184.07642	2.1
185.08409	1.7
186.09242	8.7
187.08789	1.8
198.09233	1.9
209.03336	8.7
210.03937	1.1
212.10727	0.9
213.06706	6.4
213.12866	1.0
214.12363	11.4
215.11839	12.0
225.06560	0.8
225.87556	0.8
226.07559	2.3
227.08220	2.1
229.09790	6.1
240.10558	2.1
241.09830	5.9
255.11366	0.9
257.08643	1.6
257.12936	52.3
258.13257	5.0
283.10846	11.9
284.11224	1.4
285.16760	0.8
301.11917	36.4
302.12256	4.1
303.18088	1.5
327.09750	2.2
345.10858	100.0
346.11176	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	345.0955
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	3.3
57.03419	2.9
59.01387	33.7
61.98825	8.0
66.76461	2.3
68.01395	3.4
69.25508	21.4
71.01389	14.4
71.05002	6.7
72.99301	2.9
73.02935	5.8
75.42937	2.2
83.01369	2.6
83.96831	2.1
85.02940	16.9
87.00896	10.9
89.02428	9.6
89.90566	2.1
95.01386	2.7
97.02936	9.2
99.00909	5.6
101.02439	17.6
103.04012	3.9
111.02011	40.7
113.02434	4.5
119.03516	6.1
123.00885	10.7
123.04511	16.9
124.01622	4.8
126.03072	6.1
135.04517	8.8
137.02446	2.5
138.03195	4.2
139.00389	4.2
139.04024	71.7
140.04361	3.7
147.06641	100.0
148.06978	4.5
151.05135	7.7
164.64401	3.0
165.05493	3.6
166.05064	7.7
166.99826	5.4
168.00670	4.9
179.05630	3.9
182.02180	5.2
183.02988	9.9
183.06641	4.0
213.05168	64.4
214.05492	2.8
309.08258	7.3
345.08505	18.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.098
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
62.38461	1.6
63.96268	1.9
69.22028	5.2
69.22436	13.0
71.01384	6.6
72.99325	3.1
85.02958	3.1
87.00877	2.8
89.02470	4.8
93.03456	6.6
96.17885	1.8
96.95998	2.5
99.00862	3.7
101.02437	6.3
113.02419	2.7
117.03371	2.0
119.03520	4.3
119.05006	7.0
125.02403	2.8
125.09732	1.8
125.45069	1.8
135.98314	1.8
137.02379	2.3
147.04459	1.9
149.06097	5.8
165.09167	3.1
169.06583	6.9
182.07346	12.7
185.09869	2.8
185.11819	44.7
186.12143	3.5
187.43312	1.8
195.08160	7.5
197.09717	59.6
198.10118	7.4
201.05510	1.8
211.11212	8.4
212.05939	2.3
212.11884	3.1
213.12875	15.3
215.11067	2.1
227.08488	1.9
227.10725	6.5
232.79758	1.8
241.08682	26.5
242.09071	2.9
257.11859	24.2
274.48370	2.1
275.02225	1.8
285.07516	2.1
301.10873	26.6
302.11099	3.0
303.17972	3.6
324.07361	1.9
345.10019	17.7
345.14270	2.5
345.16061	3.0
345.22842	2.8
346.10229	1.7
350.48770	2.0
355.31339	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.0979
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
69.46065	6.6
69.46468	10.7
71.01379	3.9
72.30073	2.2
80.96558	2.0
86.03823	2.3
93.03452	7.5
101.02410	2.5
101.09573	2.2
119.05003	5.0
143.72079	2.4
149.06059	5.4
156.06029	2.7
169.06589	3.4
172.39742	2.3
181.08649	6.1
182.07323	16.3
183.08054	4.5
185.11809	10.8
193.34793	2.4
195.08075	4.4
196.55504	2.6
196.57216	2.4
197.09715	92.8
198.10100	6.3
211.11282	9.8
212.11847	2.5
213.12749	16.2
215.07401	5.7
227.10762	3.4
229.84831	2.4
245.11810	6.5
248.27620	2.5
257.11777	14.9
258.12222	2.6
301.10803	38.5
302.11038	5.8
345.23007	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	345.0825
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14131	0.5
55.01878	1.5
59.01382	13.3
61.98832	1.2
62.45059	0.4
68.01416	1.2
69.48631	1.1
69.49040	1.9
71.01382	3.4
71.05022	9.1
72.99338	0.7
73.02952	0.8
73.59460	0.6
77.41174	0.4
83.01385	1.8
85.02946	1.4
87.00916	1.1
89.02438	1.4
93.03445	1.2
95.02498	0.8
95.05034	2.4
97.02341	0.9
97.02948	12.7
99.00910	1.0
101.02455	1.9
110.02411	0.6
111.00862	0.7
111.02011	11.3
112.04049	0.6
112.73808	0.4
113.02451	0.9
119.03502	0.7
123.00873	1.3
123.04520	13.1
124.01669	1.5
124.04033	0.7
124.94025	0.5
125.02472	1.0
135.04518	0.7
138.03249	0.5
138.05589	0.5
139.04010	100.0
140.04358	3.9
145.46870	0.5
147.06609	1.4
151.05128	3.9
153.01915	0.7
161.04553	1.0
163.04008	3.2
165.01886	1.0
165.05632	0.6
166.05067	1.3
166.99812	0.9
168.00525	0.6
181.05084	0.7
182.02255	0.8
183.02975	3.5
184.06046	0.7
195.04054	0.6
213.05168	23.9
214.05550	1.1
242.17873	0.5
243.06343	1.2
255.20547	0.5
268.98880	0.5
309.08374	1.7
345.08417	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	345.0613
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92136	0.6
57.03423	0.8
59.01385	8.4
63.96234	2.8
65.00301	1.1
67.01880	0.7
69.03445	1.5
69.17860	4.7
69.18285	2.5
71.01382	3.9
72.99293	3.7
74.99103	0.6
80.07297	0.7
80.96494	0.7
81.02091	0.6
89.02436	2.6
94.69276	0.7
99.04538	0.8
101.02407	1.3
102.98641	1.1
109.02995	0.8
110.77168	0.8
113.02411	1.1
117.97287	2.1
119.03528	0.8
120.99648	1.1
123.04568	1.7
125.67638	0.6
132.04547	1.5
133.05347	1.0
135.98370	9.9
141.09210	1.8
147.04532	1.4
153.07455	2.0
155.05045	1.4
165.09103	0.6
169.06625	1.1
169.10188	7.6
171.08200	0.8
175.03984	3.7
178.05026	1.1
180.31017	0.6
183.04501	1.4
185.06062	1.6
186.06877	1.0
187.07559	0.8
187.11366	0.9
196.05214	1.5
197.06082	4.4
197.09734	2.4
197.38298	0.6
198.06819	3.2
199.04012	1.1
199.11296	3.6
199.46628	0.7
200.04736	1.0
203.03482	2.9
211.11276	56.4
212.11615	5.7
213.05470	1.5
213.12907	0.8
214.06291	3.9
215.07298	1.9
215.11270	1.2
225.05536	10.6
226.05785	1.0
227.03450	3.8
229.12320	100.0
230.12648	9.0
241.05034	1.0
242.05817	4.9
245.04518	2.1
257.08182	23.2
257.12497	1.9
258.05533	0.9
258.08487	2.3
301.07193	22.5
301.11130	1.1
301.14526	10.8
302.07498	2.5
302.14716	1.9
303.18097	1.0
345.10324	3.0
345.13861	5.7
345.19327	1.1
345.22916	1.3
346.13940	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.0826
Annotation	Methyl gallate 3-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
58.00595	0.7
59.01380	23.2
61.98825	1.1
65.03961	2.1
67.01871	1.0
71.01382	13.0
71.54300	0.9
72.99299	2.8
73.02947	1.1
80.02682	3.4
80.96519	8.3
83.01387	0.8
85.02961	3.3
87.00871	2.3
89.02436	8.8
91.05510	0.7
93.03429	3.7
93.07096	1.0
95.01394	1.5
95.02504	0.7
95.05031	0.9
99.00875	1.2
101.02444	7.4
103.05534	17.1
104.05821	0.8
106.04255	9.3
109.02917	0.9
109.06590	0.9
111.00868	1.7
111.04450	0.7
113.02464	3.9
118.98183	0.7
119.03500	4.3
119.05013	2.8
121.02924	0.7
121.06593	26.5
122.06924	1.1
123.00876	1.6
123.04528	3.5
124.01659	31.1
125.02496	0.8
130.08731	0.9
135.04443	1.0
137.02438	4.5
137.06088	1.1
138.01932	0.9
139.00380	4.0
139.04010	13.6
139.07613	1.3
143.03464	1.1
143.11827	1.0
149.04500	1.0
153.01959	1.8
154.02745	1.1
161.04608	0.8
163.04004	1.1
165.01974	1.1
165.05573	17.6
166.02693	0.7
166.04980	0.8
166.99886	1.4
168.00647	48.3
169.00964	2.4
169.05029	1.5
181.01416	2.7
182.02127	1.1
183.02991	100.0
183.06398	4.3
184.03319	5.1
184.06059	1.1
315.16891	0.8
345.07809	7.5
345.11743	4.0
346.12018	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.249
Annotation	Tianshic acid methylester
Peak:m/z	Relative Intensity
54.40529	0.4
57.03438	0.4
58.33123	0.3
59.01385	2.5
60.75494	0.3
61.98198	0.4
62.48483	0.4
69.03450	1.9
69.94852	1.0
69.95274	0.9
81.01864	0.4
83.05029	0.9
83.10656	0.4
89.63551	0.3
93.03426	0.4
97.06606	0.9
99.08160	6.8
119.03466	0.4
121.02967	1.3
121.10241	5.0
125.09733	2.0
127.11266	0.9
137.09737	2.0
138.07747	0.4
139.11284	1.1
149.13420	0.6
153.01961	1.2
165.09248	0.4
171.10274	27.5
172.10602	1.6
175.11327	0.5
193.12328	11.5
194.12785	0.7
207.13884	0.5
211.13445	2.8
225.12750	0.9
225.14969	17.2
226.15340	0.8
243.16008	5.2
244.16254	0.7
265.60785	0.4
293.21216	2.5
311.22333	0.6
313.23703	0.4
325.23956	0.9
343.24881	100.0
344.25192	13.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2488
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12507	0.5
59.01374	1.3
70.10095	1.9
79.21099	0.6
97.06591	0.7
98.19980	0.9
113.09696	0.9
121.02938	1.4
121.10226	11.0
125.09702	1.6
127.11261	2.7
137.09691	3.0
139.11292	3.0
153.01892	1.8
165.09245	0.9
171.10268	72.3
172.10593	4.1
237.09189	0.7
293.21301	1.6
343.24875	100.0
344.25214	13.8
354.09631	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.0593
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70760	8.0
52.97699	7.6
59.01382	100.0
71.01382	84.3
71.53421	11.7
71.53791	10.1
72.47105	7.4
72.99300	7.6
73.02952	10.2
83.01353	9.6
85.02953	17.8
87.00883	97.3
87.12785	8.7
89.02438	63.8
97.02949	9.6
99.00881	29.6
101.02446	31.6
107.24493	7.8
111.00893	11.4
111.02012	8.4
112.04074	9.6
113.02431	45.4
119.03514	66.0
122.79026	7.5
129.01978	12.6
137.02452	16.0
139.04047	50.5
140.53464	8.1
147.06654	19.4
155.03539	26.4
159.02985	22.1
166.05087	9.0
168.00645	9.2
179.05669	51.5
183.03053	38.7
213.05130	11.6
233.06668	30.8
239.29547	8.2
249.06090	11.2
254.29999	8.1
262.75366	8.5
291.07153	21.3
309.08109	49.0
317.52286	7.1
345.05872	21.5
345.12589	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	345.0591
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17287	5.5
59.01382	100.0
71.01378	70.7
71.53362	9.5
72.99293	10.8
82.98116	5.4
83.01395	9.9
85.02960	19.2
85.08752	5.7
87.00877	85.7
89.02441	67.5
91.04487	5.4
93.03476	7.6
99.00876	28.4
101.02448	46.2
111.00878	11.4
111.02023	10.8
113.02438	43.8
119.03516	51.2
123.04562	7.9
124.01691	12.6
124.04031	7.3
129.01993	10.0
131.03499	9.3
132.88522	5.1
137.02454	23.4
139.04025	34.6
141.01903	6.1
143.03548	6.4
147.06601	16.2
155.03548	35.6
159.02957	13.5
161.04613	14.1
166.05109	8.5
168.00645	15.9
179.05609	49.1
183.02986	31.6
206.69678	5.8
213.05220	13.5
215.05614	9.4
233.06659	25.3
249.06337	8.2
260.17993	6.1
291.07184	14.3
307.06866	6.8
309.08145	54.7
324.41492	6.4
345.05594	12.6
345.12610	13.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1549
Annotation	CHEBI:68195
Peak:m/z	Relative Intensity
51.92825	0.5
57.03374	0.8
58.82876	0.5
59.01288	4.7
59.01613	0.8
65.91196	0.6
69.33545	1.9
69.33968	2.8
71.01279	2.6
72.99226	0.4
85.02861	0.9
89.02344	1.6
101.02356	1.7
111.46243	0.6
119.03399	1.1
121.02863	0.7
125.59747	0.5
135.02924	0.8
151.00235	0.6
152.43445	0.5
153.01962	3.4
171.10234	0.6
179.05556	0.7
181.12259	1.1
187.22176	0.5
195.43126	0.6
214.24756	0.5
225.11160	0.5
229.14571	0.5
239.16646	0.8
248.51938	0.5
275.07773	0.5
299.16513	100.0
300.13620	1.0
300.16876	12.6
301.20251	2.0
343.15555	30.8
343.21155	2.5
344.15942	4.1
353.03284	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2124
Annotation	Gallicynoic acid F
Peak:m/z	Relative Intensity
53.81612	1.0
57.03448	4.0
59.01374	4.7
61.98822	2.5
71.01376	1.5
71.55611	1.7
83.05008	1.1
89.02410	1.0
90.07904	1.3
95.05002	1.4
97.06594	14.9
101.02473	1.1
121.02922	3.7
123.08156	8.2
125.09721	100.0
126.10049	4.5
127.11301	2.0
136.87926	1.0
143.10791	1.2
153.01936	2.1
155.10713	1.9
169.08670	2.3
171.10242	2.3
172.73407	1.0
173.11824	38.7
174.12132	3.2
187.09737	17.7
227.99815	1.0
281.21259	6.9
325.20172	8.3
343.21231	98.6
343.24655	4.5
344.21600	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	343.2488
Annotation	Tianshic acid methylester
Peak:m/z	Relative Intensity
58.37764	0.6
59.01347	1.0
69.03474	0.8
71.09657	1.4
71.55025	0.6
83.32100	0.6
99.08168	4.4
121.10232	6.6
121.28867	0.6
121.43502	0.6
122.10597	0.7
125.09741	2.0
127.11337	0.9
137.09714	1.5
139.11256	0.7
141.57393	0.7
156.87866	0.6
171.10265	43.7
172.10574	2.2
193.12318	8.3
194.12823	0.9
211.13422	1.4
225.14915	12.0
243.15971	4.2
293.21213	2.8
294.21759	0.7
343.24860	100.0
344.25223	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	343.1032
Annotation	Teuhircoside
Peak:m/z	Relative Intensity
59.01382	5.8
69.03441	0.6
71.01387	3.2
72.99308	0.7
73.02942	1.4
74.99088	1.5
77.12749	0.6
83.01414	0.7
85.02918	1.3
87.00874	1.1
89.02457	1.6
93.70412	0.6
98.20737	1.3
99.04508	0.8
101.02431	1.2
108.02187	0.8
109.02942	2.4
114.41282	0.6
119.05061	0.7
120.99622	0.9
121.06595	0.7
122.03745	15.7
123.04500	1.9
125.06384	0.6
126.40977	0.7
127.16456	0.7
134.91895	0.6
135.04527	4.2
136.05298	72.7
136.99120	1.2
137.06165	10.2
138.06363	0.7
149.06070	1.8
151.03993	1.0
151.07642	0.7
153.01904	1.6
154.02711	0.8
161.02396	1.5
166.06284	0.9
169.06917	0.8
179.03577	1.0
179.05688	0.9
179.07103	2.8
180.04279	100.0
181.05048	23.6
181.08684	44.6
182.05577	0.7
182.09019	2.0
189.16296	0.6
191.07143	3.1
193.05055	1.9
202.68404	0.7
209.08156	0.7
213.05865	2.2
223.06294	0.8
225.11333	2.2
226.06519	0.6
227.07037	1.0
253.07155	1.3
255.10254	3.5
304.00296	0.7
343.10324	65.3
343.13391	3.1
344.10507	6.8
360.29468	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1397
Annotation	Taxuside
Peak:m/z	Relative Intensity
50.90148	0.6
55.67783	0.8
57.03452	1.0
59.01379	12.5
61.98794	1.0
62.68637	0.6
69.03449	1.0
70.27108	1.0
70.27508	1.8
71.01384	7.1
73.02948	2.2
74.47137	0.6
74.97137	0.6
75.00896	0.7
80.46151	0.5
83.01413	1.1
84.11259	0.6
85.02945	4.1
87.00877	1.1
89.02438	3.4
95.01360	0.8
95.04997	0.8
97.02953	0.8
97.06574	0.8
99.00859	0.7
99.04553	1.6
101.02448	4.6
102.98602	0.9
107.05043	0.7
109.02936	4.6
109.06573	1.4
110.06197	0.7
113.02445	3.1
115.00363	0.8
119.03509	1.1
119.05023	3.2
120.04572	1.0
121.02956	4.4
121.06578	1.1
122.03718	1.3
123.04530	3.2
125.02405	1.2
134.03755	3.0
135.02985	1.0
135.04535	5.6
136.05302	34.9
137.06117	12.3
138.06409	0.8
138.09305	0.9
148.05283	3.5
149.06087	4.8
150.03154	1.0
150.06863	20.5
151.02127	0.8
151.07648	19.7
152.07997	1.2
153.01913	1.9
161.04651	1.1
161.05995	0.9
162.05504	1.3
162.06859	21.0
163.04008	1.5
163.07642	27.8
164.03529	0.8
164.07986	1.4
165.05565	6.3
166.02705	0.8
166.06325	2.6
167.07121	3.2
179.03488	1.1
179.07008	1.3
180.07925	34.1
181.05115	34.8
181.08691	100.0
182.05472	1.7
182.09209	5.6
193.90985	0.7
205.08559	0.9
211.06026	0.8
213.05911	1.4
223.09747	1.3
227.07179	1.7
235.04402	0.7
255.10176	3.2
343.10254	2.5
343.14255	4.3
344.13962	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	343.1033
Annotation	Teuhircoside
Peak:m/z	Relative Intensity
50.17773	0.5
51.89670	0.4
52.51300	0.4
57.03467	0.5
58.21432	0.5
59.01379	11.1
61.98874	1.7
64.07800	0.5
68.99853	0.6
69.44615	0.5
70.59458	0.5
71.01382	6.3
72.99308	11.4
73.02997	0.8
75.00923	1.9
75.66485	0.4
81.03462	1.2
83.01425	1.2
85.02991	2.0
87.00880	3.7
89.02434	5.9
90.12847	0.4
93.03461	13.1
94.03888	0.5
95.01431	0.6
95.05118	0.5
97.03020	0.7
99.00914	0.9
101.02430	3.6
105.01977	0.5
107.05092	2.2
109.02969	1.1
111.00941	0.7
113.02469	2.4
115.00357	0.6
119.03570	2.9
119.05029	31.9
120.05415	1.1
120.55302	0.6
120.87774	0.5
121.02966	3.2
122.02547	0.6
123.04496	1.2
125.02493	1.4
127.00413	1.4
129.01971	1.4
131.03510	0.7
134.03787	1.8
135.04529	20.8
136.04880	1.1
137.02466	0.6
137.06131	0.8
138.05629	1.9
143.86047	0.6
149.06026	0.7
151.03993	1.4
152.07167	0.6
153.01889	2.9
157.01596	0.5
161.04532	0.7
163.04007	33.1
164.03555	2.9
164.04643	0.8
175.02475	1.0
177.01991	0.7
179.05618	1.3
181.05061	100.0
182.05453	4.6
183.65791	0.5
205.04964	0.5
223.05794	0.5
229.03535	0.6
257.02991	0.6
303.39575	0.6
313.09058	1.0
343.07019	2.1
343.10159	34.1
344.10452	3.8
355.49799	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.0822
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18489	0.8
57.03445	0.8
59.01373	9.8
69.35394	7.1
71.01379	6.4
72.99303	1.0
74.99117	1.0
75.00957	0.7
85.02950	1.6
87.00890	1.2
89.02443	2.5
93.03436	4.1
98.02437	1.3
101.02441	3.1
108.02165	16.8
109.02957	33.0
109.06589	0.9
110.03282	1.1
111.00847	0.9
113.02455	1.4
115.00384	5.1
117.03513	0.9
119.04983	1.6
120.99683	1.3
121.02971	6.0
122.03748	9.8
122.22152	0.8
123.04559	4.9
124.01633	0.7
130.08707	2.2
131.05035	0.8
133.02960	1.3
133.06606	1.8
135.04539	5.9
136.05292	22.9
136.99109	1.1
137.02423	1.7
137.06125	4.6
138.09201	1.5
139.07625	1.4
142.22548	0.7
145.06584	2.5
146.03711	0.9
147.04536	1.2
149.06021	1.4
152.07100	0.8
153.01959	2.9
153.34721	0.9
154.02736	0.8
163.04005	1.3
166.06319	1.6
179.03435	1.0
179.07187	0.9
180.04283	32.2
181.05048	7.9
181.07317	0.7
181.08698	4.4
183.08083	1.0
192.43611	0.9
210.06763	1.1
213.05942	1.7
225.05681	1.8
225.11398	0.9
226.06354	19.4
227.07074	14.7
228.07599	2.2
239.07140	1.4
253.08632	2.2
255.10257	100.0
256.10608	10.8
299.09457	1.0
309.14618	2.7
326.17206	1.0
343.10184	14.5
343.13989	1.9
344.18307	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.1039
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76311	1.9
58.00599	1.8
59.01381	44.6
60.01717	3.6
61.98829	100.0
69.50310	10.9
69.50719	4.6
71.01387	26.7
72.01707	3.1
72.82439	2.0
72.99308	4.5
73.02928	2.4
83.01388	6.3
85.02943	3.6
87.00877	12.2
89.02445	28.3
90.02764	3.2
93.03459	3.5
95.50597	2.0
98.03257	1.8
101.02447	11.2
107.01400	2.4
109.02955	2.9
113.02462	8.9
119.03498	10.6
119.05037	9.2
121.02965	3.7
125.02448	4.9
127.00369	3.3
129.01974	3.1
135.04538	3.7
141.01866	2.4
143.03531	3.8
151.00409	10.4
153.01942	60.5
161.04520	2.7
163.04076	3.9
179.03436	2.1
179.05563	6.0
181.01442	2.7
181.05049	11.3
181.07173	4.2
284.27054	2.1
287.04059	2.2
299.07568	2.7
302.26358	2.4
342.11224	3.8
343.12335	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	343.0371
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	89.6
60.01706	0.8
62.49141	0.3
71.04099	0.8
95.89933	0.3
107.89935	0.3
113.04601	0.4
115.02538	0.4
117.00381	0.3
118.37658	0.3
122.34399	0.3
122.52108	0.3
157.03563	8.1
157.57455	0.3
158.03700	0.6
159.01489	1.6
201.02545	100.0
202.02708	8.9
215.50473	0.3
319.29434	0.3
343.03729	2.1
344.04059	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	2.7
69.03450	2.2
71.01382	2.3
71.10258	1.1
78.64027	0.6
79.31394	0.6
84.02166	26.0
89.02429	1.8
94.70492	0.6
97.02946	8.9
97.06579	1.2
99.04507	6.7
101.02454	0.7
119.03532	0.8
119.08660	3.4
125.09731	1.2
127.11290	1.8
135.08192	2.0
137.09727	2.1
171.10266	73.3
172.10539	4.4
179.05579	0.8
184.56595	0.6
193.12410	1.3
225.14970	1.5
243.16054	1.1
253.14532	0.9
291.19690	2.3
341.23300	100.0
342.23654	13.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2695
Annotation	Eicosanedioic acid
Peak:m/z	Relative Intensity
59.01381	14.3
60.15841	1.7
61.98826	2.0
71.01375	11.7
71.54414	1.3
71.54893	2.3
72.52724	1.4
76.08536	1.4
77.36456	1.6
77.65571	1.4
89.02440	16.8
101.02427	5.3
113.02468	7.2
119.03505	4.3
140.78413	1.6
143.03470	1.9
151.00343	7.0
156.00647	1.7
179.05624	5.0
267.39392	1.6
279.26926	67.1
280.27243	6.1
323.25861	19.8
324.26160	2.3
341.10718	5.2
341.20267	3.7
341.26938	100.0
342.27271	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	341.3061
Annotation	1-O-Octadec-9-enyl glycerol
Peak:m/z	Relative Intensity
51.57240	0.9
57.25682	0.9
59.01385	7.4
65.00323	1.4
69.20583	3.3
69.21002	6.6
71.01376	3.5
71.05019	22.6
83.05007	2.4
85.02919	1.4
89.02448	3.9
98.20660	2.7
101.02428	2.2
107.01412	1.6
109.13669	1.1
113.02474	1.8
119.03467	1.9
127.38106	1.2
151.00340	3.8
175.00342	1.8
179.05606	2.2
185.00801	3.8
216.98886	1.2
267.26901	3.8
281.28482	27.9
282.28790	4.0
289.69180	1.1
323.29517	12.7
324.29788	2.7
341.10928	1.3
341.20242	8.4
341.30576	100.0
342.30890	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	342.104
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	36.7
60.01715	2.6
61.98830	100.0
65.05083	1.4
66.63646	1.9
69.67689	9.7
71.01384	19.6
72.01728	4.7
72.99303	5.1
73.02953	1.4
76.43519	1.5
79.77826	1.5
83.01391	3.1
85.02946	3.2
87.00867	12.9
89.02435	21.0
90.02748	2.9
93.03471	11.3
98.19984	3.1
99.00883	3.4
101.02452	12.1
102.02831	1.9
107.05016	1.9
111.00911	1.6
113.02457	6.9
119.03513	8.7
119.05030	6.2
120.03812	2.5
121.02975	5.0
122.06122	1.7
123.04570	2.0
125.02437	3.3
127.00348	3.3
129.01944	2.1
135.04500	6.4
136.04936	3.4
137.02461	4.7
138.05611	1.7
141.01941	1.7
149.02441	2.0
151.00429	1.9
151.03967	4.3
153.01906	5.8
163.04010	9.6
169.01474	2.2
175.02539	2.2
179.03447	2.7
179.05626	5.2
180.03949	2.3
180.05978	1.9
181.01462	9.8
181.05025	10.3
181.07141	3.4
190.41298	1.6
313.09320	4.5
342.08252	2.2
342.11826	2.8
343.06668	6.2
343.10703	6.8
343.12155	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	341.1087
Annotation	D-(+)-Trehalose
Peak:m/z	Relative Intensity
51.41375	1.0
55.01876	2.0
57.03447	2.1
58.00587	3.6
59.01380	100.0
60.01710	1.7
60.23702	1.1
66.19352	1.0
67.64980	1.1
71.01382	73.9
71.20194	1.2
71.20508	1.7
72.01716	2.2
72.99303	5.4
73.02949	1.9
83.01396	2.6
85.02951	10.9
86.50512	0.9
87.00875	6.4
89.02443	93.5
92.33701	1.3
95.01385	3.6
99.00867	1.3
101.02443	31.8
110.45969	1.1
113.02446	29.0
119.03503	30.5
122.36431	1.0
127.00379	2.6
129.02029	1.0
131.03487	4.3
133.85065	1.1
134.15967	1.0
135.02954	1.9
143.03500	8.2
149.04507	3.5
161.04541	9.8
179.05609	32.9
208.99513	1.1
341.06717	1.7
341.10864	33.0
342.11142	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	341.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01351	1.0
69.03459	1.2
70.55489	0.6
70.55827	1.4
71.01374	0.8
83.05048	0.8
84.02171	9.8
97.02941	3.2
97.06597	10.9
99.04520	2.2
114.19148	0.6
119.08678	1.4
125.09720	1.3
127.11276	1.1
137.09718	1.3
151.11281	0.7
165.12808	0.9
168.00957	0.7
171.10271	27.6
172.10576	0.8
175.11197	1.0
193.12326	13.5
194.12653	1.5
211.13420	2.6
221.11816	1.0
225.14955	19.2
226.15242	1.2
243.16002	8.1
253.14407	1.2
253.33412	0.7
291.19733	1.5
305.21158	0.9
314.70239	0.7
341.23306	100.0
342.23648	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	341.1088
Annotation	D-(+)-Trehalose
Peak:m/z	Relative Intensity
55.01871	0.8
57.03440	1.4
58.00597	3.2
59.01379	100.0
60.00324	0.7
60.46767	0.6
64.03974	0.7
70.49353	1.4
70.49743	1.5
71.01382	70.3
72.01724	1.2
72.99323	3.0
73.02953	2.2
75.00883	0.7
83.01408	2.4
85.02946	10.6
87.00873	6.6
89.02445	83.9
90.02778	1.3
95.01381	3.6
99.00920	1.2
101.02446	29.8
107.03529	0.7
113.02450	23.5
119.03505	29.2
120.03883	1.1
125.02460	1.4
127.00403	1.1
129.01965	0.8
131.03526	5.1
131.95743	0.8
133.55434	0.8
135.04558	1.4
141.94014	0.6
143.03508	7.1
143.40829	0.7
149.04568	3.0
161.04543	9.1
175.02470	0.8
179.05614	28.1
180.05962	1.8
276.15836	0.6
341.10904	26.5
342.11279	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	341.1086
Annotation	D-(+)-Trehalose
Peak:m/z	Relative Intensity
55.01874	1.0
56.99797	0.6
57.03448	1.3
58.00591	3.1
59.01380	100.0
60.01720	1.1
64.01364	0.4
70.66323	1.5
71.01382	66.8
72.01711	0.7
72.99309	4.3
73.02954	1.9
83.01385	2.1
85.02953	8.2
87.00879	5.1
89.02444	83.9
90.02795	1.3
95.01382	3.7
99.00880	0.8
99.92168	0.5
101.02445	29.7
102.02821	0.6
107.03522	0.5
113.02449	26.7
114.02806	0.7
119.03502	29.4
120.03850	0.7
125.02453	1.0
129.01918	0.5
131.03490	4.2
132.03903	0.5
143.03511	7.1
148.25774	0.5
149.04547	2.9
161.04568	9.0
167.03790	0.5
174.34599	0.4
179.05611	30.3
180.06004	1.3
341.10855	34.8
342.11169	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0877
Annotation	Caffeic acid 3-glucoside
Peak:m/z	Relative Intensity
53.69053	0.6
54.77697	0.6
57.03442	1.8
59.01378	11.8
64.06702	0.7
69.03468	0.7
71.01380	8.4
71.55172	1.1
72.99307	1.8
73.02962	0.6
85.02953	2.5
87.00890	2.0
88.89077	0.6
89.02435	6.8
93.03461	0.9
97.02962	0.9
101.02463	3.0
102.15958	0.6
107.05016	1.5
109.02930	1.4
113.02453	3.2
117.74019	0.7
119.03516	1.9
119.05023	1.9
121.02968	2.3
123.00845	0.8
131.03523	0.7
133.02919	1.6
134.03755	3.1
135.04526	97.8
136.04828	5.5
136.07686	1.1
137.02426	1.0
137.09685	0.8
145.02968	0.9
147.04501	2.3
149.02438	1.3
151.00305	0.9
161.02422	5.1
161.04495	0.9
161.06013	1.0
164.04871	0.9
177.05515	0.9
179.03496	100.0
179.06851	5.8
180.03873	5.3
180.06618	1.0
207.06622	0.7
211.04315	1.5
242.40674	0.8
253.08681	1.9
299.11569	1.1
341.08307	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	341.1088
Annotation	D-(+)-Trehalose
Peak:m/z	Relative Intensity
55.01865	1.0
57.03444	1.7
58.00603	3.9
59.01381	100.0
60.01694	0.8
61.98816	0.8
68.99808	1.5
70.68164	2.4
71.01382	69.0
72.01721	2.0
72.99304	4.7
73.02958	4.5
76.78692	0.7
77.96534	0.8
78.43298	0.8
81.45190	0.8
83.01392	3.5
85.02953	11.0
87.00877	10.9
89.02447	79.5
95.01410	4.7
95.01939	0.9
97.02947	1.5
99.00883	3.0
101.02446	34.4
107.05025	2.8
111.00902	1.6
113.02450	24.9
114.02792	1.3
115.00369	1.1
119.03503	28.3
120.03742	0.7
125.02451	1.7
127.00385	3.5
129.01941	2.6
131.03499	5.3
135.04523	3.3
141.01959	1.5
143.03520	10.8
149.04584	2.3
157.01408	2.5
158.43985	0.8
159.02901	1.1
161.02406	2.0
161.04558	9.6
169.01337	1.2
175.02495	2.2
179.03554	2.7
179.05620	30.1
180.06007	1.3
199.02522	2.2
229.03474	1.3
257.02936	1.3
281.12460	2.5
287.04083	1.7
341.02698	1.0
341.10910	31.7
342.11279	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	339.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
59.92246	4.9
63.11496	4.0
72.99291	21.5
74.78741	4.1
82.47256	4.4
96.99283	5.6
103.00373	23.8
130.24652	4.1
135.02985	28.2
135.89938	4.8
137.40245	4.6
147.04520	10.4
161.13342	5.9
164.84744	4.6
229.07555	5.3
233.09648	17.2
258.83411	4.7
277.50394	3.8
295.09741	11.2
339.08746	40.5
344.75806	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	339.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	3.8
59.01387	12.5
61.98830	3.7
69.03455	2.2
69.96076	8.0
71.01386	4.2
71.05020	35.1
72.99326	3.9
81.03434	3.1
88.61351	1.9
98.20013	3.0
102.01201	2.0
113.02369	2.1
141.54637	1.9
143.09566	2.4
151.11308	4.0
167.10747	4.9
171.10277	100.0
172.10593	7.1
193.12289	2.9
233.15483	2.4
249.15022	4.5
279.77774	2.2
306.18124	3.3
321.17111	3.5
321.20685	46.7
322.20856	6.2
339.21497	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	339.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	6.4
61.98833	2.7
70.44931	1.6
70.45257	4.6
76.88795	1.5
79.62401	1.8
91.37685	1.8
97.02962	7.8
113.06098	1.7
135.02992	2.7
137.09634	1.7
138.33159	1.6
151.07649	2.8
152.08429	22.3
153.08774	1.8
167.10800	8.5
171.10277	100.0
172.10605	5.5
183.01189	3.8
196.46669	1.9
237.14641	1.9
289.18079	7.1
321.17114	3.1
321.20682	35.3
322.21045	6.0
339.16397	4.7
339.21921	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	339.2327
Annotation	Dimethisterone
Peak:m/z	Relative Intensity
50.10679	0.4
55.88726	0.4
84.50047	0.4
98.20638	1.5
127.45715	0.5
163.11284	100.0
164.11600	5.9
305.41162	0.5
339.23267	94.2
340.23608	16.7
352.50952	0.5
353.47214	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0876
Annotation	Caffeic acid 3-glucoside
Peak:m/z	Relative Intensity
53.54123	2.0
55.01873	3.0
55.92828	2.0
57.03428	5.0
58.00569	3.2
58.41157	1.7
59.01377	99.0
61.98838	12.8
68.99813	3.7
69.68834	12.4
71.01379	64.8
71.15551	1.9
72.99307	9.2
73.02941	5.4
75.00900	2.5
83.01381	15.7
85.02946	10.7
87.00871	36.5
89.02444	67.4
93.03452	18.3
97.02921	2.6
97.76879	1.9
99.00872	10.1
101.02444	28.0
107.05026	3.8
109.02942	2.5
111.00897	5.6
113.02451	16.8
115.00346	2.5
117.01929	4.0
117.03452	4.6
119.03505	23.6
119.05016	19.8
121.02933	2.4
121.06555	3.0
123.04540	2.9
125.02451	5.4
127.00387	9.5
129.01953	8.1
131.03523	2.6
131.04977	3.1
132.05807	4.9
133.02979	14.0
133.06596	100.0
134.06952	7.7
135.04518	21.1
137.02475	2.4
141.01949	2.7
143.03508	5.9
145.02960	3.6
145.06604	7.4
146.07271	2.2
147.04538	28.5
147.08185	3.8
148.05240	2.0
149.04565	4.6
149.06075	17.4
156.05774	4.3
157.01416	6.0
157.06581	13.1
159.04520	4.7
160.05302	28.3
161.02457	18.6
161.04585	5.7
161.05879	3.8
163.03981	2.6
163.07664	8.1
165.05577	6.1
169.01387	8.5
175.02499	5.5
175.03911	2.4
175.07632	42.8
176.07986	3.1
177.05585	34.4
179.03487	12.2
179.05603	24.7
187.07603	9.6
189.05568	12.0
193.05055	6.9
199.02419	3.5
201.05566	5.2
205.05037	12.0
207.06602	10.8
219.06609	4.9
221.04539	80.2
222.04926	6.7
257.03140	5.9
263.05865	3.6
287.03979	3.0
297.09821	3.6
305.05246	4.0
323.01904	3.4
323.07602	9.2
341.02737	4.6
341.04510	3.4
341.08853	25.6
343.40216	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	339.072
Annotation	AESCULIN
Peak:m/z	Relative Intensity
59.01373	1.8
72.99309	0.6
74.99075	0.6
81.03456	0.3
85.58567	0.2
87.00871	0.6
89.02442	0.3
89.03968	1.7
93.03434	0.3
97.06635	0.3
98.50208	0.3
101.02482	0.4
104.02705	0.6
105.03471	3.8
115.00497	0.2
121.02953	0.4
133.02959	7.3
134.03293	0.3
135.04404	0.2
148.01663	0.4
149.02443	1.0
149.06047	0.3
157.08748	0.6
175.04062	0.2
176.01062	1.3
176.02414	0.4
177.01935	100.0
178.02267	5.1
185.04689	0.2
187.09782	0.4
189.05385	0.3
200.61427	0.3
202.82269	0.2
217.05092	0.3
229.01175	0.3
279.14090	0.2
339.07239	6.6
339.11166	0.7
340.07520	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1296
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84369	1.7
59.01381	85.0
61.98795	1.5
70.48000	5.8
71.01373	12.2
72.99307	3.0
73.02938	6.4
75.00895	2.0
83.01380	2.9
85.02953	3.7
87.00876	3.3
89.02441	5.3
101.02441	11.3
113.02441	15.0
117.05582	100.0
118.05930	2.6
119.03487	5.7
135.02997	6.1
157.55092	1.6
159.06731	2.3
161.04515	3.3
162.03099	2.0
177.01891	7.5
178.58502	1.5
181.07187	4.2
189.07690	1.8
189.89769	1.6
248.89679	1.7
339.12756	1.8
339.16486	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	337.1292
Annotation	Amblyodiol
Peak:m/z	Relative Intensity
57.03438	1.7
59.01105	1.5
59.01380	20.1
63.66277	0.7
69.03448	1.9
71.01385	5.7
71.55898	1.6
72.99307	35.1
83.01388	1.0
87.00906	1.6
93.03432	1.0
95.05018	1.8
98.00095	3.0
107.05059	5.3
109.06545	0.9
111.00861	1.2
113.02514	1.2
113.06099	11.3
119.05038	4.7
133.06612	1.4
133.10239	1.6
135.04535	1.9
135.08182	4.3
136.05266	1.4
145.10234	2.9
151.11244	2.2
159.08209	1.3
161.06065	1.6
161.09679	2.5
163.11293	26.9
164.11621	1.6
174.01657	0.9
177.05594	2.6
187.11266	2.2
189.12891	7.6
195.59659	0.9
205.08684	33.5
205.12268	1.5
206.09074	2.6
207.10252	2.0
215.10793	1.8
217.23041	0.9
221.11774	1.0
231.11948	1.0
233.09673	1.6
233.11789	13.6
249.11316	40.2
250.11638	4.1
252.82574	1.0
259.09665	3.6
277.06183	1.2
277.10815	39.5
278.11044	3.2
295.11856	100.0
296.12143	9.8
323.37549	0.8
324.37708	1.0
337.07813	1.6
337.12997	26.7
337.16553	1.0
338.13098	2.6
348.20160	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.114
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	4.7
57.03442	6.4
59.01381	63.7
70.21018	4.3
70.21384	8.1
71.01386	39.2
71.23809	2.0
72.39526	2.3
72.99322	11.1
73.02940	4.7
73.99622	2.1
74.99100	10.1
75.00871	3.6
83.01412	7.0
83.05004	2.1
84.29388	2.0
85.02950	26.0
87.00877	21.4
87.04520	8.9
89.02444	32.4
93.03426	2.5
95.01385	2.3
99.00871	6.0
101.02450	20.6
103.57840	1.8
111.00871	17.2
113.02444	13.0
113.06088	100.0
113.99587	5.3
114.06440	2.2
115.00407	3.7
117.01936	7.1
117.05493	2.0
119.02403	2.1
119.03505	11.5
119.04996	10.0
120.99607	2.2
121.68741	2.3
127.00412	4.6
129.01114	2.3
129.01942	14.8
131.03534	2.4
135.98381	2.8
136.99146	8.4
145.02989	2.3
147.03003	3.1
147.06720	2.5
154.99915	3.6
157.01474	3.0
157.05064	62.0
161.04521	4.0
163.03992	12.3
172.67329	2.0
174.01639	5.6
175.02440	3.6
179.05650	10.0
190.42056	2.2
198.21870	2.3
199.00803	2.1
199.04298	3.4
219.12431	3.1
277.05624	3.5
305.05157	7.7
337.07678	24.1
337.11224	5.1
337.14813	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	337.0775
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66777	0.8
55.01867	1.1
57.03436	2.7
59.01374	7.6
65.00394	0.8
65.53101	0.8
68.99809	3.5
69.03452	1.0
69.96688	4.4
71.01379	7.4
72.99306	2.5
73.02941	1.8
75.00876	1.9
78.95885	1.1
80.47586	0.8
83.01384	2.2
85.02953	12.7
87.00878	8.4
89.02443	2.4
93.03457	1.1
95.01390	1.2
97.02936	1.3
99.00874	6.0
101.02408	4.3
111.00882	6.8
113.02457	8.7
113.06203	0.9
113.98827	1.7
113.99584	19.4
115.00372	7.5
119.02368	0.9
119.05032	1.8
123.55849	1.0
127.00349	4.0
129.01974	6.6
131.90451	0.8
139.00356	1.3
145.02986	1.0
147.02962	2.1
153.02107	0.7
157.01418	6.1
163.04054	1.3
169.01424	1.5
173.00917	0.8
174.01692	16.9
175.02370	3.0
259.99969	0.8
260.92657	1.0
277.02667	1.6
277.05634	22.5
278.05963	1.3
305.05115	4.0
337.07755	100.0
338.08109	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	337.1078
Annotation	(-)-Glyceollin I
Peak:m/z	Relative Intensity
51.51350	1.4
59.01382	9.1
68.95995	1.5
69.80336	1.4
69.90104	7.2
71.01379	2.1
87.00878	1.8
97.06575	1.5
97.37713	1.6
98.19966	2.1
98.43976	1.6
101.02522	1.5
107.34827	1.6
111.00861	1.9
139.98785	1.3
177.05553	3.9
195.08115	2.7
206.07338	2.3
207.08139	5.9
222.06802	2.0
223.07608	4.7
234.06943	5.1
235.07634	12.3
237.05554	3.7
250.06360	2.1
251.07123	13.0
262.06213	3.2
263.07016	6.2
263.27914	1.4
264.07648	2.4
266.09479	4.4
278.05759	3.4
279.06619	91.6
280.06973	6.5
290.05734	2.4
291.06607	34.7
292.07306	9.7
293.07974	2.8
294.08881	8.1
305.08209	5.8
306.05591	2.8
306.08975	31.1
307.06125	100.0
307.09479	9.7
308.06610	8.2
321.07748	15.6
322.08444	56.0
323.08878	8.1
337.10815	58.3
337.68143	1.5
338.11307	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	337.0776
Annotation	L-Ascorbic acid-2-glucoside
Peak:m/z	Relative Intensity
54.47200	1.0
55.01869	1.2
57.03433	2.2
59.01382	7.8
68.99821	4.0
69.03465	1.0
69.62356	4.1
69.62762	2.1
71.01379	11.3
72.99304	2.4
73.02947	2.9
75.00865	2.8
81.03464	1.0
83.01389	3.3
83.35721	0.8
85.02960	12.2
87.00881	9.7
89.02454	2.4
95.01392	2.3
95.57784	1.0
99.00871	6.1
101.02464	7.8
103.81461	0.9
111.00885	7.7
113.02451	8.5
113.98901	0.8
113.99587	23.3
115.00386	11.9
127.00375	6.5
129.01945	6.7
139.00334	2.0
141.01952	1.2
147.03038	2.1
154.90607	2.1
154.99831	0.9
157.01416	6.9
169.01425	1.5
174.01688	19.4
175.02463	12.1
244.91209	0.9
247.04482	1.1
277.05634	20.8
278.05933	1.8
305.05023	2.3
337.07758	100.0
338.08002	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	337.0776
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	5.7
57.03444	7.2
58.76585	2.1
59.01383	33.2
59.20861	2.3
62.28338	2.1
68.99820	6.0
70.86391	4.9
71.01379	64.2
72.99306	11.9
73.02951	16.0
75.00873	2.9
81.03461	2.7
83.01390	20.4
84.46811	2.1
85.02955	32.2
87.00337	4.9
87.00877	100.0
88.01223	2.6
89.02447	22.9
90.37086	2.2
94.19336	2.6
95.01388	5.0
99.00885	28.0
99.04488	3.2
100.98809	7.2
101.02443	56.7
101.03108	4.2
103.00390	5.8
109.02955	3.7
111.00884	76.5
113.02466	28.5
113.99580	5.5
115.00377	13.6
125.02466	6.4
127.00392	14.3
127.03987	3.2
129.01959	25.8
131.03490	5.4
139.00420	5.7
140.95964	2.5
145.01578	2.4
147.02997	15.1
149.04578	2.6
153.01926	9.1
154.99834	7.3
155.03459	4.3
157.01384	16.6
174.01691	7.8
175.02466	10.1
193.03514	4.2
247.04575	17.0
277.05719	5.4
305.05136	59.6
306.05463	4.3
315.70294	2.8
337.07733	58.6
338.08148	3.7
340.81042	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	335.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	3.3
59.01382	2.4
69.03447	0.4
70.32231	1.1
71.01369	1.0
72.99295	0.4
73.02946	0.5
79.82388	0.3
89.02441	0.5
89.42857	0.4
96.81271	0.3
97.08487	0.4
108.04552	0.6
111.08146	0.5
117.01917	0.8
120.04609	0.4
127.11292	13.2
128.11664	0.4
135.02980	0.9
136.89128	0.3
155.10823	0.7
166.05086	3.1
168.03001	0.5
169.12343	1.7
171.10262	2.7
199.13345	1.6
210.04083	3.5
217.14439	100.0
218.14764	6.9
293.21561	0.3
324.01120	0.4
335.12607	1.0
335.17117	14.9
335.20773	0.5
336.17474	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	335.2204
Annotation	Unknow
Peak:m/z	Relative Intensity
56.35916	4.8
59.01384	45.2
69.58710	4.5
71.18079	12.5
99.00639	16.2
183.03020	9.4
232.65912	5.5
253.21718	100.0
254.22084	6.9
289.82538	5.0
309.83536	5.5
323.42572	4.6
335.22067	77.2
336.22464	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	336.94
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16504	0.7
57.75919	0.7
59.01389	1.2
61.96399	0.7
62.77909	0.7
64.26913	0.8
64.40573	0.6
70.70923	2.2
99.48729	0.6
129.07388	0.8
134.96089	33.5
135.96149	2.9
136.94011	61.2
137.94104	5.4
151.92714	6.1
152.91759	29.2
152.92700	1.1
167.90479	3.6
178.95059	100.0
179.95152	7.4
194.92807	57.8
195.93175	1.1
210.90771	1.2
212.93913	2.5
225.90500	0.8
226.40346	0.8
247.87173	6.2
248.37233	4.0
248.87070	3.4
250.93953	2.2
252.91814	3.0
256.87723	7.9
257.87692	1.2
274.88705	18.4
275.24350	0.7
275.88821	3.1
276.86716	1.1
287.84961	7.9
288.35071	3.7
288.85031	5.9
292.94998	10.4
293.95193	1.4
294.85095	1.1
294.92868	18.6
295.93094	1.6
316.84567	2.8
336.83392	4.8
336.93976	70.5
337.83344	0.8
337.94110	7.7
354.84509	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	335.0621
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31211	2.1
55.01877	13.0
58.00588	2.5
59.01380	44.6
60.74022	2.3
65.00307	2.8
68.99807	8.3
70.20387	4.3
71.01385	60.1
72.99313	27.2
73.02946	6.6
74.86741	2.0
75.00896	10.9
75.64443	2.4
83.01387	25.6
85.02965	9.4
87.00872	26.6
89.02449	16.9
93.03477	3.1
94.02982	12.0
99.00889	36.5
100.98801	9.3
101.02470	13.0
111.00899	18.6
111.04533	6.0
113.02442	8.1
115.00368	26.7
117.01944	67.0
119.03516	3.5
125.99580	6.2
127.00381	100.0
128.00725	2.3
129.01945	9.3
137.02480	5.2
138.01967	19.0
139.00397	3.1
142.99852	2.7
144.00616	2.8
145.01434	23.2
145.30907	2.4
153.01933	2.3
153.99066	3.4
154.99864	72.2
155.03445	3.0
156.00267	2.3
157.01509	4.4
169.01465	2.1
170.09619	2.4
172.00095	6.4
173.00919	19.9
180.03012	8.8
300.07092	4.4
335.06195	58.6
335.09583	3.8
336.06549	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.119
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	2.2
57.03437	2.4
58.37622	1.4
59.01378	36.5
64.15755	1.2
65.63057	1.2
67.04502	1.4
69.63808	4.5
69.64219	2.6
71.01389	3.1
72.99311	2.7
73.02949	67.1
75.00874	5.1
79.76528	1.1
80.96543	2.3
83.05025	2.7
85.02986	2.3
87.00854	2.0
89.02451	3.4
95.05015	6.1
97.06593	68.9
98.06924	2.7
101.02450	1.9
101.06123	1.8
109.06671	1.9
111.08157	5.1
117.01942	2.0
119.05100	1.2
120.99702	1.3
129.05559	3.5
135.02992	17.6
137.06119	1.3
141.05579	54.5
141.09238	1.3
153.09216	21.5
155.07135	12.2
171.10268	28.4
172.10603	2.7
197.08142	4.9
201.11185	1.6
203.07512	1.8
215.09233	100.0
216.09570	3.8
271.10800	1.8
291.18207	1.6
333.11899	52.7
333.15219	4.0
333.18906	20.5
334.12299	5.9
334.19565	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.0621
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57719	1.1
55.01883	17.9
57.03445	1.4
58.00587	3.0
59.01380	72.5
67.01888	1.6
68.99807	3.6
69.60073	5.6
71.01384	76.6
72.58488	1.0
72.99312	31.1
73.02950	7.8
75.00871	6.8
82.99591	1.0
83.01386	13.1
85.02942	11.5
87.00877	63.4
89.02448	35.8
95.01383	2.6
96.99306	1.8
97.02959	1.7
98.20667	1.8
99.00880	13.6
101.02441	25.7
105.01931	3.3
111.00880	6.2
111.04530	1.3
113.02457	11.9
115.00381	3.7
117.01944	100.0
118.02296	2.4
119.03516	14.0
121.63335	1.1
127.00393	7.3
129.01076	1.5
129.01952	16.4
131.03514	1.3
135.03003	9.9
142.72937	1.0
142.99832	1.2
143.03444	1.9
144.71744	1.0
154.99876	2.7
155.07133	3.4
155.76073	1.1
157.01326	1.7
161.04530	1.6
173.00877	9.1
173.08124	2.8
179.05582	2.0
189.04063	1.2
261.71530	1.0
302.90820	1.2
303.03595	3.5
303.06949	1.1
335.06290	2.4
335.09988	3.0
335.13443	49.6
336.13663	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	333.1092
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91366	1.3
55.14363	1.3
57.01933	1.4
57.03443	2.2
58.99606	1.7
59.01374	14.1
60.30959	1.3
71.01377	11.2
71.55114	1.3
71.55549	2.3
72.22267	1.3
72.99310	2.6
73.02942	5.8
78.95933	1.7
80.05059	62.2
81.05395	1.4
83.01377	1.6
85.02950	6.4
87.00870	6.3
89.02448	2.1
89.66126	1.5
92.05077	7.6
94.06613	3.8
97.06559	1.8
99.00896	1.5
101.02448	10.6
102.98595	5.7
104.05034	2.1
105.03417	1.6
106.06627	8.8
107.03775	1.8
111.75239	1.6
113.02435	4.6
115.00357	2.0
119.04942	1.8
120.04532	6.2
120.99681	2.4
121.02959	3.0
122.06126	27.2
124.04037	14.5
125.09702	1.9
132.04536	4.9
134.06120	7.1
136.04033	5.7
138.05612	16.2
139.11382	1.5
141.09282	2.1
150.05606	2.9
152.07161	29.4
153.09225	1.9
167.03601	1.4
171.10220	6.9
185.10130	3.1
185.11700	2.5
189.07962	1.8
203.11108	64.8
204.11426	3.6
215.09198	4.2
215.12764	5.0
239.35451	1.6
241.09802	2.5
245.09215	1.9
245.12962	11.6
273.16928	2.4
289.11929	100.0
290.12344	9.6
291.12708	5.6
291.17981	6.9
321.15173	1.6
333.06241	2.6
333.10855	26.6
333.15341	13.5
333.19260	10.0
334.19650	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	333.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
57.17358	0.4
59.01363	0.7
69.32616	3.0
71.01379	1.3
78.03493	1.0
78.95920	0.4
80.05037	0.6
80.09707	0.4
86.07333	0.5
92.05048	2.6
94.02926	0.6
94.06614	4.1
103.04239	0.5
104.05046	3.1
105.03462	2.3
106.06621	13.1
107.03761	0.9
107.06964	0.7
108.04539	1.7
120.04555	7.0
121.02911	0.5
121.05312	1.4
122.02521	0.7
122.06120	15.1
123.03248	2.3
124.07679	1.0
125.52178	0.4
131.03760	0.7
132.04553	9.4
133.04880	0.6
135.03325	0.5
136.04053	0.6
137.79477	0.4
138.05611	25.3
139.05933	1.2
140.07092	0.7
147.03372	0.4
147.04509	1.0
148.04059	1.1
150.05630	2.4
164.03497	0.4
166.05049	0.8
174.12849	0.8
181.31851	0.4
184.11308	0.5
188.10791	0.5
189.07933	0.8
198.07832	0.4
201.44467	0.4
202.12335	0.5
213.06657	1.0
213.10283	0.5
215.11858	1.5
217.07430	1.5
226.07539	0.5
227.11818	0.6
229.09732	1.2
229.71213	0.4
231.09114	0.5
231.11368	1.1
241.09845	3.5
243.11365	2.2
259.10876	0.6
271.10739	1.2
289.11926	100.0
290.12247	9.6
333.10861	9.7
333.14658	0.6
334.11069	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1092
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30957	1.0
58.16233	1.0
59.01384	11.6
59.36892	1.0
65.99848	3.0
66.03477	3.1
67.92413	1.2
71.01402	3.0
71.05006	1.7
71.55134	1.9
72.99317	2.4
73.02945	21.8
75.00868	1.8
83.05020	2.9
85.02971	1.5
86.02489	3.1
87.00874	1.8
87.04553	1.2
89.02457	3.4
94.02969	3.7
95.01402	1.3
95.05000	4.2
96.04546	3.2
97.02940	2.7
97.06592	19.0
101.02428	2.4
104.05096	1.6
107.03777	1.1
111.08167	2.4
113.02454	1.6
120.04561	2.6
120.99677	1.9
121.05257	1.2
122.06109	16.6
123.08199	1.5
124.07717	1.5
127.07632	2.2
135.03001	3.7
138.05603	4.7
141.05566	14.5
148.04048	5.3
153.09235	7.5
155.07188	1.2
161.04727	3.9
166.05115	2.9
171.06624	3.0
171.10207	7.0
175.05110	2.3
176.07111	1.9
187.06371	2.9
191.08214	1.1
191.16568	1.2
197.08109	1.8
198.05664	2.7
199.06392	3.1
200.10666	1.6
202.08736	17.0
203.04758	1.2
210.09261	1.4
213.07983	2.5
214.07658	1.4
215.09247	26.1
215.12663	1.0
216.09525	1.4
226.08661	1.3
228.10294	25.2
229.10309	2.1
241.06158	8.9
242.06926	4.8
242.48413	1.1
243.11354	3.5
245.12907	3.6
255.07750	3.1
256.08514	16.9
257.08820	1.6
271.10876	100.0
272.11124	10.5
289.11948	10.0
297.08801	12.2
298.09109	2.0
315.09924	17.7
315.18170	1.3
333.11322	23.0
333.15515	3.4
333.19067	22.3
334.19458	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	333.0615
Annotation	Cedrin
Peak:m/z	Relative Intensity
53.11565	0.3
59.01383	1.3
67.01900	0.4
68.99826	0.4
69.03465	1.1
69.34589	2.4
71.01402	0.5
71.05020	0.3
77.03952	1.8
79.01870	0.3
83.01386	2.1
85.02950	0.4
93.03458	3.7
95.01401	0.9
96.96037	0.4
97.02947	11.1
101.02423	0.3
109.02958	2.0
121.02959	11.8
122.03285	0.5
123.00871	0.6
137.02444	38.6
138.02733	1.4
139.04050	0.5
141.20343	0.3
147.04480	0.3
163.00400	0.8
165.01929	100.0
166.02271	4.7
173.11853	2.5
182.09631	0.3
196.57787	0.3
197.04547	38.9
198.04904	2.4
209.00891	1.2
255.95406	0.3
256.21539	0.3
257.04568	0.6
287.10605	0.3
301.03482	6.2
302.03622	0.5
307.41458	0.3
333.06265	2.8
333.09799	0.6
333.13525	0.5
333.18887	0.5
334.06485	0.5
347.08121	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.0958
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39285	6.3
51.85489	4.4
54.61122	4.6
58.75735	5.8
59.01374	13.7
61.65290	5.4
70.44163	21.6
71.01384	17.1
72.99319	7.4
73.97081	5.0
74.47572	4.8
78.95909	100.0
84.44730	5.0
85.02929	5.9
87.00920	5.6
89.02441	8.8
96.96961	19.5
98.20028	6.5
99.00925	9.2
101.02457	5.6
109.02966	8.8
111.00898	5.2
113.02467	9.6
115.00444	6.7
125.02396	5.8
126.02821	5.0
127.00305	4.7
128.31064	5.3
129.01921	5.4
133.05028	10.3
142.05075	5.7
152.99602	72.8
171.00586	5.7
241.01196	42.9
297.11978	16.7
305.05157	6.4
333.05917	79.4
333.09500	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	333.1092
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	3.6
64.93555	2.1
68.84769	1.9
71.01373	4.1
71.84593	2.0
72.99308	5.1
78.95932	2.4
83.01396	2.1
92.05070	6.7
97.18292	2.0
101.17960	1.9
103.04322	3.3
104.05048	6.6
111.00881	2.4
115.00371	4.9
118.02966	2.5
120.04553	5.8
121.03008	4.9
122.06106	19.6
125.02454	3.0
138.05621	15.6
140.07141	11.2
147.04570	2.5
154.06593	2.5
158.09761	2.3
166.05133	13.0
167.05849	3.1
167.10690	2.2
168.06635	4.1
168.08118	3.5
168.11209	2.4
169.08943	3.2
172.11308	8.2
181.97096	2.1
184.11246	13.6
186.09227	2.2
187.06415	3.9
200.07199	3.8
201.07941	2.7
202.12352	11.8
204.95769	2.1
212.05865	6.8
214.08701	3.1
215.09470	4.4
216.10408	10.7
217.07469	37.0
218.07848	3.0
225.06602	3.0
226.07391	3.9
228.10426	2.6
231.08989	18.5
241.09813	24.6
242.06854	4.2
243.11270	4.2
246.11342	73.7
247.11694	7.7
253.09683	12.1
255.07628	2.9
259.10825	20.4
271.10892	100.0
272.11496	12.0
289.11951	27.0
290.12610	2.8
297.08813	3.3
315.09930	10.9
333.06207	4.7
333.10812	51.9
334.11151	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1164
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03473	0.9
57.43573	1.0
59.01381	3.7
65.00352	1.0
65.25111	0.9
69.03472	2.1
69.42920	6.4
71.01384	3.4
72.99308	1.6
81.03446	1.0
83.01381	1.8
87.00881	1.7
95.01410	1.0
97.02962	4.3
105.01893	1.1
107.01384	2.8
109.02913	2.2
112.04037	1.7
119.03551	1.1
119.83192	1.1
121.02950	1.6
122.06099	3.2
123.00893	3.4
124.01671	13.1
124.51137	0.9
125.02450	55.9
133.05066	2.1
135.02983	2.3
137.02380	2.1
138.03278	2.1
139.04016	66.2
139.52098	0.9
140.04361	3.1
149.99591	20.5
151.00340	8.5
152.03554	1.8
152.07211	3.7
153.01964	2.6
167.03461	1.9
167.99191	2.2
168.00636	45.1
168.04300	3.0
169.01443	19.2
169.05060	100.0
170.05392	4.4
175.00302	1.0
175.02467	1.3
184.06140	3.2
196.06165	0.9
212.05643	1.2
214.07199	1.9
270.50906	1.0
296.28229	0.9
313.05658	4.4
313.11163	1.5
331.06671	77.2
331.10397	22.7
332.06989	6.3
332.10391	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	332.135
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50039	1.2
53.14291	1.2
57.03450	2.0
58.99588	1.5
59.01384	15.8
68.40343	1.2
71.01382	22.4
71.55219	1.7
72.99307	55.7
73.01163	1.3
73.02946	9.1
75.00862	4.5
79.95736	1.3
81.03444	2.2
83.01387	2.0
83.05006	1.5
84.04536	3.3
85.02943	3.9
86.26452	1.4
87.00881	19.6
87.04508	1.9
89.02457	3.9
96.04575	1.2
97.01685	3.0
97.02950	1.2
97.06576	1.9
97.42413	1.1
99.00869	1.6
99.04517	4.1
101.02460	6.5
102.98618	6.0
103.00371	2.5
103.89281	1.4
109.05331	1.5
110.06125	3.9
112.04015	2.9
112.10202	1.2
113.02457	2.8
117.76595	1.2
119.03474	2.6
120.31754	1.1
120.99626	4.0
121.05298	1.9
122.06120	44.5
123.06493	1.5
124.07677	29.0
125.02422	2.3
125.06078	1.6
127.07621	1.7
129.01947	2.3
133.05061	2.3
135.04544	2.1
136.07666	20.5
137.04848	2.8
138.05608	2.7
138.09250	15.7
139.00339	2.6
148.07666	1.7
150.09232	12.9
151.06317	2.9
152.07166	20.3
154.02682	1.7
155.03021	1.4
158.82883	1.4
164.07143	2.3
166.08717	19.1
169.01314	1.5
169.05016	3.7
170.05383	3.3
170.08138	1.4
171.10251	1.5
178.08757	2.7
180.10266	4.8
182.08266	1.7
194.08192	21.2
196.09792	36.4
197.10101	2.0
200.09348	1.3
201.07645	1.5
202.05273	1.6
208.09818	1.7
212.09279	89.4
213.09607	4.4
215.09204	5.6
222.11409	10.3
224.09280	2.2
245.12866	2.5
271.10861	1.6
289.11890	4.2
314.12454	7.8
315.14532	2.2
332.07263	2.5
332.13498	100.0
333.06387	1.5
333.14893	5.6
333.19211	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	331.1036
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68529	0.4
53.65655	0.5
54.88051	0.4
57.03435	0.6
59.01368	1.3
66.76144	0.5
67.45532	0.5
70.23585	1.0
70.23957	1.6
71.01379	1.8
73.02970	0.7
83.01386	0.7
84.00911	1.9
85.02961	2.2
87.00872	0.6
87.88246	0.4
89.02451	0.5
98.19973	0.6
101.02460	1.1
110.00096	8.7
111.00906	0.5
111.67657	0.4
112.04057	1.2
113.02454	2.9
123.00913	0.6
124.01701	0.9
124.04044	1.9
125.02448	12.2
126.05640	0.6
136.01654	0.8
137.99614	8.2
139.00354	1.9
140.01137	0.8
140.07179	0.6
149.99593	1.0
151.00372	1.5
152.01111	2.6
153.01939	100.0
154.02432	5.2
155.03523	2.9
161.04532	0.9
166.02724	0.9
167.03493	12.2
168.00681	3.7
168.04280	52.6
169.01405	4.9
169.05032	9.5
169.06392	1.0
170.05391	0.7
176.01173	0.6
179.03485	1.3
180.04166	0.5
184.06184	4.4
191.03462	0.5
196.03731	0.6
209.04526	1.0
211.07335	0.9
289.80710	0.6
301.87958	0.5
331.06720	7.5
331.10388	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	331.0669
Annotation	1-O-Galloyl-beta-D-glucose
Peak:m/z	Relative Intensity
52.95349	1.1
58.82780	1.2
59.01358	2.4
63.83891	1.0
69.03452	2.7
71.01372	1.8
71.53683	2.0
72.99317	1.5
79.01895	1.7
81.03484	1.5
83.01381	7.5
84.03831	1.0
95.01376	2.1
97.02963	2.7
97.40858	1.2
99.83360	1.1
101.02469	1.1
107.01374	4.4
110.01026	1.0
112.03983	1.2
123.00881	4.3
124.01662	16.0
124.04032	1.8
125.02451	93.6
126.02792	3.1
133.05069	4.4
138.05582	2.3
139.03989	1.4
146.08144	1.4
149.99596	18.9
151.00375	19.6
153.01988	1.3
167.03494	1.6
168.00642	55.5
168.04285	1.7
169.01419	64.1
169.05064	1.6
170.01761	2.0
175.00346	2.1
184.06210	2.1
193.01424	1.9
269.11465	1.4
293.08771	1.4
313.05582	7.4
331.06683	100.0
332.07138	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	331.0669
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95349	1.1
58.82780	1.2
59.01358	2.4
63.83891	1.0
69.03452	2.7
71.01372	1.8
71.53683	2.0
72.99317	1.5
79.01895	1.7
81.03484	1.5
83.01381	7.5
84.03831	1.0
95.01376	2.1
97.02963	2.7
97.40858	1.2
99.83360	1.1
101.02469	1.1
107.01374	4.4
110.01026	1.0
112.03983	1.2
123.00881	4.3
124.01662	16.0
124.04032	1.8
125.02451	93.6
126.02792	3.1
133.05069	4.4
138.05582	2.3
139.03989	1.4
146.08144	1.4
149.99596	18.9
151.00375	19.6
153.01988	1.3
167.03494	1.6
168.00642	55.5
168.04285	1.7
169.01419	64.1
169.05064	1.6
170.01761	2.0
175.00346	2.1
184.06210	2.1
193.01424	1.9
269.11465	1.4
293.08771	1.4
313.05582	7.4
331.06683	100.0
332.07138	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	331.1035
Annotation	Koaburaside
Peak:m/z	Relative Intensity
58.48121	0.6
59.01369	1.7
61.23046	0.6
69.03454	1.8
69.83418	3.0
71.01366	1.4
72.99333	0.7
79.01884	0.6
81.03448	1.0
81.07296	0.6
83.01379	1.5
83.05055	0.5
87.00858	0.8
93.03468	0.8
95.01390	1.2
97.02968	1.5
101.02428	1.0
107.01365	1.2
109.02962	1.8
111.04515	1.1
111.58128	0.6
112.04081	1.4
113.02424	0.9
121.02998	0.8
123.00892	1.8
123.04625	0.8
124.01666	10.5
124.04049	1.1
124.07686	0.9
124.56024	0.6
125.02453	37.4
126.02777	1.0
133.05078	0.9
135.02986	0.8
137.02420	0.8
138.03253	2.4
139.04013	67.4
139.94583	0.6
140.04359	3.0
140.07210	0.8
149.99599	16.0
151.00420	4.6
151.04066	0.7
152.07196	1.0
153.01918	2.6
167.03459	0.9
168.00641	33.4
168.04335	2.9
169.01424	10.7
169.05060	100.0
170.05431	4.6
175.02524	1.3
177.43855	0.6
180.10675	0.6
184.06152	1.9
189.05316	0.6
189.17587	0.6
196.06282	0.8
197.62952	0.6
209.08731	0.5
212.05597	1.3
313.05667	4.4
331.06683	54.6
331.10388	20.0
332.06805	3.2
332.10275	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	330.083
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59663	0.2
55.67960	0.2
55.76988	0.2
58.99590	0.2
59.01373	0.6
62.07911	0.2
64.75711	0.2
65.03963	0.2
65.99847	0.4
68.06119	0.2
69.51812	0.7
69.52244	0.7
71.01408	0.4
72.99322	0.3
75.67002	0.2
80.96513	0.3
85.02956	0.3
93.03459	1.0
95.55994	0.2
97.87173	0.2
102.98604	1.0
104.05299	0.2
109.02946	0.6
119.05002	0.3
121.03011	0.4
125.02442	0.3
137.02446	3.6
138.03230	7.6
139.03560	0.4
167.02232	2.7
168.03018	100.0
169.03383	4.4
176.30830	0.2
199.03986	0.2
201.09520	0.6
224.74252	0.2
225.09196	0.9
241.08725	0.6
243.02916	0.4
269.08105	0.6
270.08447	0.6
271.02396	0.5
285.07751	0.5
287.09341	0.4
300.09586	0.6
301.07098	0.8
315.11929	0.4
316.09546	0.6
330.08286	15.9
330.14493	0.7
331.08527	2.8
331.12021	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.067
Annotation	1-O-Galloyl-beta-D-glucose
Peak:m/z	Relative Intensity
50.94316	0.6
56.42600	0.6
69.03453	2.1
71.26045	0.6
79.01891	1.1
81.03468	1.0
83.01376	1.2
88.54107	0.6
97.02943	1.9
102.80801	0.6
107.01386	1.6
116.05891	0.7
123.00871	3.3
124.01666	12.4
125.02450	55.5
126.02811	1.6
128.99101	0.5
139.04021	0.6
149.99591	24.1
151.00272	2.0
153.01907	1.2
154.03870	0.6
167.03493	1.4
168.00641	56.9
169.01422	7.7
182.87285	0.7
187.98856	0.7
214.44652	0.6
246.20653	0.7
249.94237	0.6
276.72339	0.6
313.05652	6.4
331.06696	100.0
332.07071	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	331.0672
Annotation	1-O-Galloyl-beta-D-glucose
Peak:m/z	Relative Intensity
56.21814	0.4
57.03453	7.7
59.01122	0.6
59.01381	3.7
65.00326	6.9
69.03455	0.8
71.01389	2.6
72.99312	1.0
73.02949	0.9
75.00896	0.4
79.01898	0.7
79.95728	0.8
80.96516	3.3
81.03451	3.5
83.01388	20.8
85.02950	1.4
87.00879	1.3
89.02430	0.8
93.03481	0.9
95.05009	0.8
97.02968	1.8
97.06624	0.7
99.04557	0.9
101.02456	0.9
102.98616	0.8
103.00412	0.5
107.01394	11.9
107.05036	2.3
108.04607	0.5
109.02943	0.5
109.06578	0.5
111.04515	0.6
111.08159	0.6
113.02477	0.5
120.99643	0.6
121.02962	0.7
123.04536	1.6
123.08152	0.5
124.01669	3.0
125.02452	63.7
126.02785	2.2
127.03992	0.5
127.07671	0.7
131.01382	1.0
136.19067	0.4
137.02470	1.1
137.08037	0.6
138.05600	0.4
138.09256	0.4
139.04028	1.0
139.07666	0.5
141.05591	0.4
149.01427	0.5
149.02423	2.6
149.99606	0.6
151.00377	68.0
151.07562	0.7
152.00725	3.2
153.01888	0.9
164.03528	0.5
165.01927	1.3
165.04189	0.5
167.03523	2.5
168.00667	4.0
168.04352	0.7
169.01439	31.8
169.08777	0.8
170.01790	1.4
175.00365	8.5
175.01791	0.7
175.11253	0.4
180.96237	0.4
193.01442	7.4
198.17439	0.4
205.01439	1.5
211.02420	2.4
213.07692	1.4
223.02618	0.6
250.60161	0.4
259.07184	0.5
267.38901	0.4
287.10049	0.6
313.05685	0.7
331.06696	100.0
331.13416	3.2
332.07068	7.5
332.13666	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0877
Annotation	1-O-Vanilloyl-beta-D-glucose
Peak:m/z	Relative Intensity
57.03437	1.2
59.01375	2.5
64.49654	0.3
65.00327	0.5
69.03447	0.7
69.57210	1.9
71.01374	0.8
72.99307	0.4
73.02941	0.3
77.34635	0.2
81.03465	5.0
83.01383	2.5
83.05056	0.3
85.02947	0.8
87.00896	0.3
95.05018	0.8
96.02050	0.3
97.02944	0.3
99.00895	0.3
99.04494	0.3
101.02454	0.3
107.01403	0.4
108.60911	0.3
111.04525	0.4
113.02511	0.3
121.02995	0.3
123.04528	31.8
124.04814	1.3
125.01520	0.5
125.02447	6.9
127.05178	0.7
132.04507	0.5
137.02420	0.4
139.04016	0.6
149.02478	1.4
149.06093	0.4
151.00369	1.5
153.06688	0.8
163.03969	0.7
166.02684	1.0
167.03493	100.0
168.03819	4.8
191.03499	0.8
191.07158	0.3
197.05745	1.3
199.04407	0.3
209.04523	1.4
269.09344	0.3
310.07434	0.3
329.08411	1.5
329.12653	1.6
329.15921	0.4
330.11017	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1029
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16544	1.8
54.75599	1.7
59.01380	100.0
63.47100	1.8
63.64645	1.8
64.54118	1.8
69.47874	13.6
71.01379	2.7
79.07559	2.2
88.73081	1.8
92.55785	1.8
98.19896	3.8
109.06632	2.0
133.06602	7.8
139.00357	4.7
147.04498	2.4
195.11812	15.5
197.13327	7.3
211.11258	3.5
241.12350	8.0
285.11325	17.5
299.01859	3.9
329.06503	5.3
329.23309	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	329.2332
Annotation	9S,12S,13S-Trihydroxy-10E-octadecenoic acid
Peak:m/z	Relative Intensity
51.21603	0.7
52.51747	0.7
69.21037	7.4
69.21384	0.9
82.22345	0.7
94.04071	0.7
97.06610	0.8
98.20522	2.9
99.08163	6.5
113.05766	0.9
127.11281	2.6
139.11295	3.6
166.96388	0.7
167.14479	1.4
171.10233	9.1
183.13890	8.2
193.12389	1.4
209.11824	1.4
211.13383	31.8
211.15453	1.5
212.13651	1.6
229.14432	16.1
293.21127	1.0
311.22348	1.0
314.26065	0.8
329.23306	100.0
330.23630	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	329.2333
Annotation	9,10,13-TriHOME
Peak:m/z	Relative Intensity
50.42452	1.0
59.01378	14.9
61.98831	1.8
63.69374	1.0
70.28853	1.0
70.45442	2.5
70.45793	1.9
83.05016	1.5
90.25372	1.0
96.95981	1.0
107.28986	1.0
111.00932	1.2
125.09750	5.5
127.11289	8.2
136.14113	1.2
139.00343	2.7
139.11273	6.1
145.02963	1.5
149.61076	1.1
151.23459	1.0
155.10779	3.8
165.09216	1.9
171.08795	2.0
171.10265	34.5
172.10564	2.9
185.11913	1.2
199.09714	1.8
201.11324	21.7
202.11652	1.7
207.08086	2.1
275.20139	2.3
283.11282	2.2
285.12854	1.7
287.22205	3.8
293.21124	3.2
311.22424	3.1
329.23318	100.0
330.23502	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	330.0828
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	1.9
58.00573	4.3
59.01379	100.0
60.81286	1.2
62.53062	1.1
69.03435	4.4
71.01382	53.3
71.55312	1.4
72.99296	4.7
73.02920	2.8
75.07738	1.3
79.95770	1.5
80.96519	2.1
83.01370	1.7
83.31908	1.1
85.02944	10.5
87.00863	3.7
87.34047	1.1
89.02444	57.6
90.02784	1.8
95.01392	4.1
95.05032	1.2
97.02940	1.8
99.04491	1.5
101.01792	2.0
101.02438	31.5
105.87189	1.0
107.05049	6.7
108.02098	1.4
113.02444	27.1
119.03503	23.5
119.04951	1.8
122.03691	2.4
125.02422	2.3
131.03470	1.8
132.04556	1.4
135.02867	2.0
136.07666	10.9
138.01939	7.5
138.02827	1.2
143.03476	4.8
148.04007	3.4
149.02412	4.1
151.02736	3.5
152.03531	21.9
161.04507	5.2
166.01469	9.7
166.05063	5.4
167.25758	1.5
168.03012	74.9
169.03349	2.4
169.08675	2.4
179.05684	5.9
183.01747	1.4
192.02979	5.6
197.05919	1.6
199.07602	2.3
205.59253	1.5
207.08153	2.1
210.04048	14.2
211.04459	1.2
212.08467	1.4
213.07675	6.7
222.04071	6.0
225.09145	5.1
240.05116	2.8
244.07095	1.3
262.22522	1.2
270.06006	3.7
286.10788	6.6
330.08255	81.8
331.08731	4.4
331.13211	4.1
331.17410	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	328.221
Annotation	Unknow
Peak:m/z	Relative Intensity
58.87267	3.6
59.01368	10.1
61.98821	5.6
68.77861	3.3
69.03464	6.8
70.03776	3.6
74.01296	3.0
89.63462	3.4
117.19930	3.0
119.08655	6.7
120.08994	6.2
125.09751	5.3
137.09741	24.2
138.10066	21.0
139.00334	7.1
171.10268	90.6
172.10612	90.9
201.11310	20.8
202.11697	31.6
213.11147	3.8
214.11710	4.2
221.36278	3.5
292.20013	7.3
310.21021	15.3
328.22107	100.0
328.25980	6.4
329.17746	7.8
329.22720	11.8
346.61630	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	329.0878
Annotation	1-O-Vanilloyl-beta-D-glucose
Peak:m/z	Relative Intensity
54.05978	0.2
57.03450	0.7
59.01370	2.3
64.11122	0.3
65.00320	0.4
68.68709	0.3
69.03458	0.5
71.01378	1.0
79.05513	0.4
80.96529	0.5
81.03448	4.3
82.92221	0.3
83.01378	2.6
85.02950	0.8
93.03465	0.6
95.05023	0.8
97.02939	0.5
98.20745	0.5
99.04538	0.3
107.01385	0.6
109.02940	0.5
119.05047	0.6
121.02961	0.4
123.04520	38.2
124.04861	1.6
125.02444	4.4
126.02846	0.4
126.25954	0.3
129.05486	0.3
131.01422	0.4
135.04477	0.4
137.02443	1.1
137.06036	0.3
139.03990	1.1
149.02419	1.8
151.00388	1.5
151.03979	0.9
163.03990	1.8
164.03514	5.4
165.05542	0.4
166.02699	0.6
167.03487	100.0
168.03815	4.5
170.58379	0.2
175.00378	1.1
179.03479	1.3
180.04256	0.6
181.05078	3.1
191.03493	22.0
192.03807	1.6
193.05028	0.4
209.04533	9.9
210.04890	0.6
213.64566	0.3
221.04527	3.2
233.04594	0.5
269.06644	0.6
285.13077	0.3
287.14749	0.4
290.61469	0.3
293.96472	0.3
329.08316	3.5
329.12054	0.7
329.15231	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0876
Annotation	Unknow
Peak:m/z	Relative Intensity
55.83038	0.4
59.01382	2.2
69.11627	0.5
70.66478	1.3
71.01379	7.8
72.47202	0.6
72.99314	0.9
73.02959	2.9
81.03477	0.6
83.01387	0.9
85.02962	2.4
85.13097	0.5
87.00877	1.8
89.02437	1.4
94.04405	0.4
95.01408	0.9
99.00873	0.8
101.02441	5.4
108.02161	2.3
109.02935	1.8
113.02444	4.7
121.02952	2.3
121.06580	0.6
122.03738	100.0
123.04595	11.4
125.02460	0.6
135.04526	1.7
136.07663	0.5
137.02454	1.0
137.06104	1.8
143.03494	0.7
147.04507	0.9
149.06029	1.2
150.05615	3.8
152.01228	0.8
159.03000	1.8
161.04555	7.9
165.05544	5.3
167.03470	2.2
177.05585	2.3
180.02432	0.4
285.09744	2.5
312.10828	1.9
329.08939	3.9
330.11926	1.1
337.67114	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0878
Annotation	Phaseoloidin
Peak:m/z	Relative Intensity
50.14389	0.5
59.01373	1.1
65.16115	0.5
69.91194	1.2
69.91585	1.1
71.01370	1.6
72.99297	0.6
83.01359	0.5
85.02924	0.9
87.00867	0.7
98.12811	0.6
98.20574	0.8
101.02452	0.6
107.01448	0.6
108.02174	57.0
109.02512	2.1
121.74511	0.6
123.04529	26.7
124.04834	0.8
134.03682	1.2
139.04021	0.7
149.02420	1.0
149.06049	0.7
152.01147	37.3
153.01495	1.3
167.03490	100.0
168.03833	5.1
243.42357	0.6
304.70724	0.6
329.05405	0.6
329.08774	3.2
329.12180	0.8
348.73193	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2176
Annotation	Corchorifatty acid F
Peak:m/z	Relative Intensity
57.03436	0.7
58.00588	2.4
59.01378	4.6
65.86381	0.5
68.47638	0.5
69.03451	1.0
71.01373	0.8
71.54382	0.9
73.02936	0.6
95.59309	0.5
97.06583	2.3
99.08187	0.6
111.08157	9.6
125.09713	0.6
127.07632	1.4
137.09729	1.0
143.52356	0.5
149.72020	0.5
153.12833	0.9
169.12334	6.6
171.10248	4.1
181.12314	2.7
183.13882	0.7
185.11813	1.0
193.12404	0.7
197.11819	46.1
198.12155	3.3
199.13402	7.4
201.11258	1.0
209.11864	0.6
211.13362	7.3
221.11897	0.6
221.49980	0.5
227.12881	1.1
229.14536	1.4
239.16531	2.1
256.13693	0.6
263.20163	0.9
273.18698	0.7
291.19717	3.1
292.20044	1.0
309.20673	3.1
310.21088	0.6
327.21744	100.0
328.22095	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	327.2175
Annotation	Corchorifatty acid F
Peak:m/z	Relative Intensity
56.94862	0.5
57.03438	2.0
69.03459	0.9
69.25130	5.3
71.01379	1.0
71.18898	0.6
76.76916	0.5
82.26041	0.5
83.05020	0.9
85.02951	5.1
95.05009	1.4
97.06584	6.0
109.06609	0.9
125.09737	1.3
127.08439	0.6
127.11285	2.1
127.20360	0.6
137.09688	1.1
155.10730	0.8
165.12807	1.3
167.10703	0.7
167.14374	1.8
170.92889	0.6
171.10287	10.1
172.10645	0.6
175.11214	0.7
177.12833	1.1
181.12428	0.7
183.13934	6.0
185.11819	1.7
193.12338	2.6
203.10738	0.7
209.11765	2.8
211.13380	32.9
212.13716	3.6
221.11790	4.7
227.12949	0.7
229.14426	19.2
230.14801	1.7
239.12877	2.5
247.20764	0.7
291.19647	3.7
309.20691	1.4
327.21738	100.0
328.22113	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	327.2903
Annotation	20-hydroxyicosanoic acid
Peak:m/z	Relative Intensity
53.32484	0.6
59.01380	100.0
60.01720	1.0
67.30894	0.6
70.39575	1.2
70.39929	1.9
75.00873	0.7
77.84237	0.6
79.26703	0.7
85.41598	0.6
107.16241	0.6
171.10252	0.8
185.00688	4.5
327.18472	9.1
327.29022	66.5
328.18411	1.4
328.29349	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	328.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70185	0.6
58.02975	0.7
58.91987	0.7
59.01372	5.1
70.60097	1.2
70.69446	0.6
74.02489	1.8
82.02985	1.1
84.04551	5.0
85.02956	1.3
87.99163	0.6
100.04044	1.3
100.07703	1.6
100.09078	0.7
102.05606	89.9
103.05943	2.1
108.51098	0.6
112.07687	0.9
128.03535	100.0
129.03880	3.1
138.85097	0.6
138.97357	0.6
146.04584	13.4
150.58899	0.6
156.00629	0.5
181.15886	1.5
195.97423	0.7
198.18633	7.0
199.17030	69.0
200.17313	5.0
224.20050	0.8
238.21802	1.9
240.23332	16.5
241.23773	1.1
266.21304	2.4
269.21210	1.3
284.22305	19.9
285.22647	1.1
292.19839	0.9
310.20206	14.0
311.20490	1.7
328.21277	81.1
329.21368	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	327.1814
Annotation	Botryoloic acid
Peak:m/z	Relative Intensity
56.08842	0.5
59.01380	100.0
60.01717	1.4
69.03454	1.0
69.31087	1.1
69.31494	3.2
71.01401	1.2
71.05027	2.8
72.99313	1.1
83.05036	0.8
85.02950	1.0
86.90081	0.5
87.00913	0.5
89.02452	0.9
93.03466	0.7
95.05000	1.0
97.06612	0.5
109.02954	2.4
110.59983	0.6
111.87514	0.6
119.05051	1.4
121.02995	1.1
121.10232	1.2
122.03754	1.3
123.08199	0.6
134.02550	0.5
135.04523	1.5
143.05132	0.5
148.98686	0.5
157.92696	0.4
163.03979	1.0
172.10460	0.5
187.14871	0.5
193.15973	1.7
211.07619	3.9
211.17061	1.2
221.09933	0.7
229.26340	0.5
237.14935	0.7
239.10780	7.0
267.16013	11.2
268.16391	1.3
283.09961	0.7
285.17044	9.9
286.17453	0.6
288.16855	0.5
312.10086	0.7
327.09015	3.7
327.18213	6.9
327.21875	1.8
328.18588	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2176
Annotation	Corchorifatty acid F
Peak:m/z	Relative Intensity
50.57806	1.2
53.97692	1.3
57.03432	2.9
57.52434	1.0
59.01367	3.3
65.20359	1.1
65.91394	1.1
68.33654	1.2
69.01846	1.0
69.03449	2.2
70.95632	3.1
71.01359	1.2
83.05037	1.6
83.06485	1.2
84.02139	5.6
97.06567	1.9
99.08173	5.4
111.08154	2.3
113.09734	2.6
125.09724	8.4
127.11324	3.5
129.09195	2.5
137.09735	6.7
141.09184	2.0
153.12869	1.3
155.10773	5.7
165.12737	1.2
169.12250	1.3
171.10255	33.1
172.10629	1.2
183.10234	2.8
185.11813	12.8
197.11847	11.0
199.13409	1.3
201.11308	9.2
209.11861	3.8
213.11353	1.4
227.12862	3.9
229.14383	6.5
242.64217	1.4
256.15451	1.4
265.21884	1.8
291.19675	4.1
309.20618	4.0
327.21768	100.0
328.22116	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	327.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	0.8
58.00584	2.1
59.01381	3.6
63.91739	0.4
69.03444	0.8
69.43834	3.2
71.01378	1.0
73.02935	0.8
83.05045	1.0
84.02135	0.4
85.02980	0.6
86.44480	0.4
93.03462	0.5
95.05011	0.7
97.06585	2.2
109.06617	0.5
111.08167	8.1
119.05017	0.6
121.64599	0.5
125.09704	0.8
127.07656	1.7
127.11285	0.5
131.58784	0.4
137.09712	1.6
153.12833	0.8
155.10756	0.6
167.10799	0.5
169.12358	5.3
171.10272	9.3
179.10834	0.5
181.12331	2.2
183.13850	1.2
185.11824	0.8
193.12367	1.0
197.11829	43.0
198.12167	2.7
199.13373	6.7
200.13812	0.4
201.11324	2.3
209.11852	0.6
211.13441	6.5
212.13676	0.5
221.11845	0.8
222.97362	0.4
227.12943	1.0
229.14433	1.6
239.10733	0.5
239.12936	0.9
239.16541	1.6
255.11716	0.4
265.18030	0.5
291.19656	3.9
309.20630	3.5
327.08871	1.2
327.18234	3.5
327.21744	100.0
328.18332	1.0
328.22086	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	327.0908
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37146	0.6
54.29197	0.6
57.03435	0.7
58.99597	2.2
59.01384	3.4
68.62541	0.6
71.01379	2.8
71.56098	1.1
72.00388	1.3
72.99301	1.0
73.02917	0.7
84.04141	0.6
87.00918	0.6
87.51626	0.6
89.02452	1.1
90.98596	0.9
91.94640	0.6
93.03421	0.8
102.97952	0.8
102.98606	13.2
109.02968	0.9
110.07585	0.6
113.02462	0.7
119.05013	2.3
120.99658	1.0
127.09750	0.7
135.04495	0.6
137.04286	1.8
138.05096	1.0
153.07439	49.9
154.07713	2.7
163.04015	1.1
163.07671	2.5
169.06931	0.8
171.07092	1.1
171.08495	15.0
171.10078	0.8
172.08853	0.7
173.06091	1.5
197.06410	100.0
198.06743	5.3
211.07664	1.2
239.10849	0.9
267.07150	0.7
269.89963	0.7
285.08044	2.6
327.08881	5.3
327.21799	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.0931
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27792	1.4
55.01867	2.3
58.00583	1.7
59.01381	77.2
62.79676	1.4
69.37114	8.9
71.01382	46.7
72.99310	8.8
73.02951	51.1
74.03278	1.3
75.00870	6.5
83.01411	1.8
85.02956	11.7
87.00881	28.2
89.02447	46.6
93.03442	3.8
94.20968	1.2
95.01373	2.2
99.00887	6.7
101.02451	32.7
103.04013	1.5
105.01926	5.4
113.02451	15.0
117.01929	3.5
119.03513	24.2
129.01950	1.9
131.03539	2.4
134.04758	1.1
143.03551	3.2
147.02957	1.4
149.04575	1.8
159.02904	1.4
161.04576	3.1
163.06036	1.2
165.01949	1.3
165.07700	5.2
179.05623	5.2
181.04987	1.2
267.10721	1.5
297.87970	1.3
327.09335	100.0
327.12720	5.5
328.09586	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	327.1085
Annotation	Paeonoside
Peak:m/z	Relative Intensity
50.04811	0.4
58.08038	0.4
58.56704	0.4
59.01381	15.6
69.43870	2.9
71.01383	1.2
73.02937	0.4
73.72748	0.4
85.02979	1.0
89.02417	0.5
93.03461	5.7
101.02450	0.7
107.05096	0.4
109.53777	0.3
115.27541	0.4
119.05027	1.4
121.06586	8.2
147.04529	1.2
165.05568	100.0
166.05888	5.2
191.03481	0.4
207.06686	0.4
226.35571	0.4
327.10779	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1087
Annotation	Androsin
Peak:m/z	Relative Intensity
59.01114	0.5
59.01382	5.9
68.99776	0.5
69.80038	1.3
69.80451	0.7
71.01380	6.0
71.37103	0.4
72.99307	2.5
73.02937	1.8
73.87466	0.4
75.00873	0.4
77.03979	0.7
83.01363	0.6
85.02946	2.2
87.00877	7.6
89.02459	2.4
90.17798	0.4
93.03451	1.6
95.01382	0.8
95.05009	0.8
97.02953	0.4
99.00867	1.0
101.02443	3.2
105.01938	1.5
110.37411	0.5
111.00917	0.4
112.04034	0.4
113.02478	2.2
117.18624	0.4
119.03474	1.0
119.05035	0.8
121.02953	9.9
122.03773	1.0
123.04510	0.8
127.00369	0.8
129.01968	0.6
130.08723	0.5
137.02435	0.6
147.04514	0.6
149.02438	77.9
150.03229	72.8
150.04523	0.6
151.03566	3.5
157.01353	0.5
159.02969	0.7
161.00980	0.6
161.02411	0.4
161.04573	0.5
163.03986	1.4
164.04794	27.6
165.05566	100.0
166.05946	5.2
177.02100	0.5
207.06630	1.4
222.02011	0.3
327.09241	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.0873
Annotation	Garvin C
Peak:m/z	Relative Intensity
59.01387	4.0
69.32069	2.6
69.32500	3.6
71.01383	3.2
73.02924	0.9
82.57244	0.7
89.02420	0.8
93.03448	0.8
103.05542	0.8
107.05046	1.8
108.02211	0.9
109.02945	9.1
115.00378	6.9
117.07090	3.6
119.05042	2.0
121.02965	1.6
122.03757	4.6
123.92832	0.8
134.03752	3.3
135.04529	76.2
136.04869	2.9
137.02431	0.9
147.04514	19.6
148.05231	2.8
154.02794	0.8
179.03502	24.7
180.03911	1.2
209.06049	1.2
210.06915	1.1
211.07635	100.0
212.07974	8.7
219.08157	1.0
221.09819	0.8
223.07719	1.0
237.09225	2.2
239.10770	37.9
240.11055	3.8
265.08649	0.9
283.09769	9.1
284.10193	1.5
285.13467	0.9
285.16974	1.2
327.05209	1.4
327.08740	29.5
328.09113	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	327.0874
Annotation	Garvin C
Peak:m/z	Relative Intensity
59.01103	0.7
59.01378	6.6
69.92456	0.8
69.92850	0.9
71.01388	3.1
72.99297	0.5
73.02940	0.7
87.00862	0.5
93.03477	0.9
99.02747	0.5
100.65550	0.5
106.03563	0.4
108.02155	3.4
109.02953	34.6
110.03287	1.0
115.00386	5.4
115.05544	0.7
117.07105	5.9
119.05007	2.1
121.02978	3.2
122.03751	8.9
124.01662	1.2
135.04517	4.5
136.07593	0.8
137.02449	2.4
143.04993	0.6
146.03735	1.9
147.04533	1.5
148.05281	0.8
149.02463	0.5
149.06120	0.6
154.02724	2.0
159.04498	0.4
161.06067	1.0
163.03973	1.4
165.05544	0.4
167.08633	0.6
179.03519	0.5
187.03932	0.5
193.10257	0.6
210.06813	0.6
211.07635	27.8
212.07950	2.9
219.08150	0.8
221.09721	2.2
223.07617	2.9
224.08258	1.2
235.07594	0.7
237.09120	2.3
239.10768	100.0
240.11096	9.4
265.08578	0.6
267.15991	0.6
283.09769	8.9
284.10156	1.0
285.17081	0.8
327.08752	11.7
327.14816	0.7
327.21817	0.6
328.09085	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
59.69958	3.6
60.01724	14.6
61.01807	12.4
61.98831	15.7
69.58928	3.9
71.01382	44.9
71.54386	6.9
72.99328	19.8
73.02949	26.4
75.00887	12.5
85.02963	13.1
87.00875	42.3
89.02454	36.4
93.03441	6.3
95.01408	4.8
99.00898	12.2
101.02461	28.1
105.01949	6.1
111.00880	6.0
113.02447	18.5
119.03502	18.4
119.05021	17.0
120.05392	13.6
121.02936	13.0
124.00724	7.9
127.00355	14.0
129.01938	7.7
130.01266	3.7
134.04733	9.3
146.02466	24.3
149.02438	61.5
150.03227	69.2
159.03036	8.7
162.05579	9.9
163.04007	8.8
164.04776	28.2
165.01833	6.4
165.04204	5.0
165.05577	85.5
167.01236	4.4
176.06900	4.9
224.04466	4.5
239.88770	4.7
312.84879	4.1
326.11292	27.2
327.05536	6.0
327.09229	44.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.0873
Annotation	Garvin C
Peak:m/z	Relative Intensity
53.20391	0.8
59.01382	7.7
65.21073	1.0
69.03436	0.8
69.35040	3.9
69.35464	2.3
71.01376	4.1
73.02977	1.2
85.02948	1.0
86.55737	1.1
89.02423	1.4
93.03457	21.2
101.02410	1.4
106.04215	2.1
107.05015	2.4
109.02935	1.0
115.00342	0.8
119.05025	100.0
120.01659	0.8
120.05383	4.3
121.02958	1.4
131.05025	3.6
132.05826	15.2
133.06575	3.1
135.04469	2.3
139.07678	0.8
143.05028	2.3
145.06615	5.4
146.06799	0.9
147.04504	1.0
149.02428	1.4
163.04005	64.5
164.04276	3.1
175.82736	0.9
177.05557	2.4
186.80481	0.9
210.06859	1.5
211.07625	32.2
212.07932	2.6
221.09697	3.6
223.07588	1.1
223.13159	0.8
237.09113	3.8
239.07205	1.0
239.10764	23.6
240.11259	1.7
265.08679	2.1
271.09592	1.1
283.09750	43.4
284.10059	4.1
285.13556	1.9
285.16858	1.8
286.16791	1.0
309.07745	1.2
312.10107	1.3
327.08722	64.5
328.09082	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	325.2172
Annotation	12alpha-Methylpregna-4,9(11)-diene-3,20-dione
Peak:m/z	Relative Intensity
59.01390	1.1
65.00327	0.7
70.50143	1.9
72.01482	0.6
75.04003	0.6
79.01196	0.5
79.95768	1.9
107.01384	1.9
119.05025	1.2
149.09720	80.3
150.10049	5.0
151.00374	6.7
163.11287	90.8
164.11606	5.9
170.00412	1.6
183.01201	52.1
184.01950	8.2
197.02841	3.1
197.04393	0.5
199.48491	0.5
216.00923	3.9
221.87286	0.5
224.50706	0.6
239.07452	0.8
265.25342	0.7
325.18353	100.0
325.21774	73.9
325.26874	2.9
326.18652	12.4
326.22128	10.3
326.27435	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2018
Annotation	Albocycline M-6
Peak:m/z	Relative Intensity
57.03445	10.0
59.01381	17.7
65.00329	10.3
67.84250	1.4
69.03442	5.1
70.09402	4.8
71.01371	5.5
71.05029	8.4
72.99275	1.8
73.02962	2.0
81.03467	1.6
83.01386	4.4
83.05017	6.7
84.02161	3.1
85.02944	2.5
85.06591	3.2
87.04501	3.5
89.02444	1.9
93.03468	2.4
95.00304	1.5
95.05024	3.8
96.96001	3.0
97.02943	4.4
97.06599	4.9
99.08181	1.9
107.01390	14.3
107.05037	2.5
109.06587	26.3
111.08164	3.9
113.06101	4.6
119.05079	1.6
121.02935	2.1
122.02448	4.4
123.08160	4.8
125.06052	3.0
125.09691	4.4
127.07626	3.5
127.11243	1.6
131.04973	2.1
135.08214	1.5
137.09763	1.4
138.33989	1.3
139.11263	1.6
141.09186	2.4
151.00362	68.7
151.11272	3.9
152.00710	2.5
153.09149	2.8
155.10796	1.9
163.06070	1.3
167.10788	3.4
169.12376	5.0
171.10251	11.2
177.12764	1.4
181.12321	5.2
183.13844	3.3
185.11861	1.4
193.12390	4.5
197.09987	2.4
197.11812	38.3
198.12164	3.4
199.13359	4.4
201.11324	12.8
203.07133	7.0
209.11740	2.1
211.09846	2.2
211.13376	34.5
212.13713	2.9
213.11305	5.7
219.13940	2.7
220.24222	1.5
221.09712	2.0
227.12938	3.9
235.13367	4.5
237.14978	8.9
249.09186	2.3
249.14919	3.7
281.14920	2.0
289.18076	10.1
297.06232	3.3
307.19153	11.6
310.08713	1.6
325.05643	3.9
325.10956	3.9
325.20184	100.0
326.20532	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	325.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	5.5
59.01374	34.1
65.00321	12.7
68.69377	3.5
69.03480	3.3
70.84496	5.9
71.01377	16.3
71.05043	3.9
72.99290	3.9
73.02948	5.2
83.01368	6.0
83.05040	4.3
84.02168	3.4
93.03439	4.0
94.27228	3.0
97.06595	5.4
101.02453	3.2
106.04274	3.7
107.01386	17.6
109.06595	6.8
111.08160	62.3
120.63586	2.9
121.06577	5.3
123.08156	19.2
125.09732	13.2
127.11302	9.4
135.08151	14.8
139.11304	5.1
151.00366	90.4
153.09230	8.1
155.10757	16.0
163.11246	3.6
167.10764	10.3
169.12367	4.6
171.10262	67.0
172.10616	4.3
183.01216	8.0
183.10162	15.5
185.11827	57.3
186.24905	3.2
191.14378	5.0
195.10252	5.5
197.11819	22.6
201.11314	100.0
202.11668	5.4
207.10048	4.3
209.11749	3.8
213.11302	19.2
235.13234	5.1
245.19063	6.5
248.45648	3.3
289.18143	15.3
297.06000	4.4
307.19162	8.1
325.05554	4.0
325.11264	5.3
325.14621	9.4
325.20236	82.8
326.20477	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	325.202
Annotation	Albocycline M-6
Peak:m/z	Relative Intensity
57.03445	9.2
59.01366	8.4
65.00327	4.3
65.03958	5.5
66.35213	1.8
69.03448	7.1
69.24543	3.3
69.24940	15.7
70.66615	1.8
71.01400	3.6
71.05022	35.5
76.89235	2.0
79.05518	2.2
80.02639	3.5
81.03482	2.8
83.05023	19.8
85.02960	2.1
86.23571	2.0
93.03443	2.8
93.07107	2.6
95.05029	7.2
97.06596	13.9
105.07123	3.3
106.04242	5.9
107.01364	7.4
109.06583	6.9
111.04517	3.4
111.08179	5.0
121.06601	9.9
123.04533	3.5
123.08155	31.9
125.09708	6.3
127.07619	2.5
127.11357	2.4
135.08165	17.9
141.09230	6.0
151.00362	40.0
153.09203	11.3
155.10777	4.4
165.99823	1.9
171.10268	100.0
172.10553	4.7
183.10358	9.3
185.11794	17.4
193.12282	2.8
197.11787	3.6
201.11325	13.0
209.11836	18.9
211.13361	10.0
230.99792	2.2
235.13396	26.2
236.13582	2.1
237.15015	5.0
249.14922	3.9
267.15964	2.3
289.18063	6.1
307.19186	9.8
325.06000	2.6
325.10892	3.4
325.20206	55.6
326.20596	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	325.2019
Annotation	2,3-Dinor-8-iso prostaglandin F2alpha
Peak:m/z	Relative Intensity
53.57864	2.6
57.03450	4.3
59.01371	32.9
61.67315	2.4
65.00316	15.6
69.03455	3.5
70.03368	11.6
71.01387	17.2
71.05002	3.3
72.99290	2.8
83.01409	3.9
84.02149	4.9
89.02416	3.6
105.21390	2.5
107.01376	21.5
109.06570	6.9
111.08160	51.2
111.98124	2.8
113.02485	2.9
118.08281	2.6
119.05093	3.2
123.08163	16.5
125.09721	15.5
127.11279	11.9
135.08134	12.8
137.09668	3.4
139.11284	3.0
151.00365	82.2
151.11288	4.0
152.00769	2.6
153.09192	13.4
155.10800	11.2
163.11278	3.2
165.09248	4.1
167.10742	11.2
169.12271	6.4
169.39352	2.9
171.10263	90.9
172.10519	3.7
183.01170	4.6
183.10216	5.6
184.10709	3.6
185.11836	52.1
195.10254	6.8
197.11838	37.1
199.13411	6.1
201.11317	65.8
202.11592	5.7
209.11844	7.0
213.11243	21.5
215.12915	4.4
225.11263	5.2
227.12900	12.2
245.19115	5.6
289.18140	16.3
290.18478	3.0
297.06198	8.1
307.19095	11.7
325.14603	6.0
325.20197	100.0
326.20584	15.1
336.26736	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	325.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62849	0.8
59.01382	70.3
59.17252	0.8
69.22337	1.4
69.22739	6.7
69.64799	0.7
71.01389	9.7
72.03609	0.7
72.99326	0.9
73.02951	2.5
80.16679	0.9
83.01401	1.7
85.02952	4.1
87.00883	4.8
89.02454	2.6
99.00897	2.7
101.02447	8.8
113.02433	4.4
119.05032	100.0
120.05386	3.4
125.02461	1.0
127.00370	3.1
129.01961	2.0
157.01418	2.0
161.04539	8.6
163.04012	65.2
164.04350	3.5
169.01373	1.3
189.05576	1.1
265.12881	12.4
321.65207	0.9
333.56540	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2019
Annotation	Plakortenone
Peak:m/z	Relative Intensity
59.01284	3.4
65.00243	1.1
70.95881	0.9
70.96195	0.9
71.04937	0.8
72.61645	0.6
78.59133	0.6
79.48697	0.6
83.25791	0.6
88.65598	0.8
91.60562	0.6
97.06511	1.0
99.63580	0.7
101.02374	0.9
107.01266	2.7
121.02926	4.0
122.03737	6.9
123.04411	1.1
136.05168	2.5
141.93907	0.8
151.00356	14.3
164.08301	1.5
165.12718	1.1
167.14395	7.3
168.04126	2.0
183.01097	1.1
190.23877	0.7
193.15926	3.7
207.17552	3.8
231.17511	1.7
233.15538	1.3
247.16975	1.7
249.18571	34.9
250.18871	2.8
265.17850	1.0
265.94193	0.7
275.16483	27.1
276.16833	3.0
281.21133	8.0
282.21533	1.1
293.17581	100.0
294.17899	8.3
297.06192	0.9
307.19131	4.8
321.46457	0.8
325.20212	65.9
326.20569	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	325.202
Annotation	Unknow
Peak:m/z	Relative Intensity
55.00836	1.3
55.01871	2.2
57.03429	5.0
59.01383	14.5
65.00326	8.6
65.03963	6.0
69.03455	8.2
69.44302	6.3
71.01379	4.2
71.05019	19.7
73.02937	1.8
73.82827	1.4
79.05540	2.3
80.02698	2.8
80.16805	1.1
81.03467	4.6
82.91520	1.2
83.01389	4.8
83.05029	17.5
84.02174	11.6
85.02967	2.8
86.89008	1.2
89.02453	1.8
93.03458	65.9
94.03772	1.9
94.34906	1.3
95.05029	4.2
96.99330	7.2
97.02935	2.4
97.06572	17.6
101.02457	2.2
105.07098	3.9
106.04249	11.7
107.01405	13.7
107.08678	2.6
109.06599	3.1
110.03752	3.2
111.08154	5.6
113.02415	2.4
113.06087	2.2
115.00349	1.1
115.05536	7.3
116.07163	3.2
117.03476	4.0
119.05014	3.8
121.06592	7.8
123.04544	3.4
123.08166	38.1
125.09726	18.4
127.11308	4.9
131.05040	2.6
133.02925	2.6
133.06664	2.7
135.08170	30.3
136.08485	1.6
137.02431	2.2
137.09682	2.4
139.11299	1.4
141.09201	7.8
143.05000	3.9
145.02975	5.5
147.04518	2.9
151.00362	62.2
151.07649	1.5
152.00656	2.6
153.09210	32.7
154.09549	2.3
155.10756	3.3
161.04602	1.9
163.06143	2.5
164.08392	2.4
165.09206	2.5
171.10263	100.0
172.10626	4.9
178.99872	2.4
183.10188	9.0
185.11855	12.5
195.08136	8.0
197.11790	2.2
201.11314	26.8
202.11691	1.5
207.08055	1.8
209.11800	8.6
211.13368	6.8
213.11311	7.9
219.08217	7.1
221.09760	6.0
222.56047	1.3
223.13437	1.4
233.15269	1.7
235.07814	1.4
235.13385	13.7
237.14989	1.7
245.19226	1.4
247.57170	1.4
249.09174	35.2
249.15022	2.3
250.09471	4.4
265.12958	1.6
289.18079	4.8
293.08200	11.9
297.06253	6.2
307.19095	14.3
310.12115	2.7
311.09348	2.3
325.05737	2.6
325.11029	4.6
325.14444	2.7
325.20203	70.2
326.20599	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	325.0927
Annotation	4'-O-beta-D-Glucosyl-cis-p-coumarate
Peak:m/z	Relative Intensity
54.18964	0.4
59.01380	0.5
93.03449	0.4
98.20648	1.5
101.82621	0.4
107.33797	0.5
117.03488	2.0
119.05027	100.0
120.05350	4.1
145.02936	8.7
163.04008	77.6
164.04347	4.0
229.18788	0.6
265.07248	0.5
325.09338	0.6
333.01059	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0927
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72040	0.2
53.05001	0.2
59.01381	7.7
68.23100	0.2
71.01379	3.0
71.54572	0.2
71.54940	0.3
72.99313	0.3
73.02937	0.3
83.01386	0.3
85.02957	0.9
87.00877	0.3
89.02441	2.1
95.01392	0.3
96.96029	0.7
101.02428	1.1
113.02452	1.0
114.45824	0.2
117.03468	21.7
117.37517	0.2
118.03807	1.1
119.03519	0.8
119.05025	6.4
120.05330	0.2
121.02959	0.3
129.05527	0.2
131.05038	0.2
133.06589	0.6
138.05602	0.4
139.05902	0.3
145.02954	100.0
146.03296	5.1
148.42766	0.2
151.00362	0.5
158.03650	0.3
159.04514	0.7
161.06070	1.5
163.04013	8.7
164.04480	0.4
187.03983	4.0
187.80806	0.2
205.05083	1.6
206.01384	1.0
234.50040	0.2
235.06078	0.5
265.07166	2.0
325.09198	4.5
325.12534	0.4
326.09488	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1078
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00671	1.9
54.55092	1.5
57.03452	3.4
58.50072	1.7
59.01385	20.1
65.00329	13.7
65.03975	1.9
69.03455	3.1
71.01377	5.2
71.05027	7.1
71.12472	4.3
73.02959	2.1
81.03459	2.0
83.01385	4.6
83.05022	6.3
85.02941	3.5
85.49615	1.6
93.03455	25.1
95.05035	2.1
95.64977	1.5
96.95995	8.4
96.99314	19.6
97.06575	5.2
97.53990	1.7
99.00828	1.7
101.02444	2.9
106.04251	2.7
107.01392	17.9
109.06573	5.1
111.08134	4.0
115.05544	15.8
117.03435	3.6
119.05025	8.2
121.02949	3.7
121.06590	3.4
122.02466	2.6
123.04510	5.2
123.08183	5.3
125.09689	6.4
127.07630	4.2
127.54315	1.6
130.04214	4.4
131.04999	7.3
133.02965	5.4
135.08165	5.2
136.85147	1.7
137.09740	2.2
139.07591	1.8
141.09241	2.2
141.57364	1.6
143.05029	63.9
144.05363	3.4
145.02948	3.2
150.68904	1.7
151.00372	85.6
151.11310	1.9
152.00728	3.7
153.09198	6.4
155.10857	4.2
158.03737	2.0
163.03986	3.0
163.06183	2.6
163.11394	1.8
171.10269	22.9
182.95164	2.0
183.10185	2.9
185.11780	11.3
191.10818	2.4
193.12233	1.9
195.08203	13.3
197.11797	7.7
201.11328	12.4
203.07213	3.0
206.07349	2.4
207.08113	3.1
209.11827	19.6
211.13419	11.1
213.11388	5.3
219.08188	9.9
219.13789	2.2
220.08592	2.3
221.09665	16.2
235.13329	6.4
237.14954	2.9
249.09190	100.0
250.09578	8.9
263.19986	2.4
289.18030	9.0
293.08203	31.4
294.08508	3.1
297.06143	5.1
307.19101	32.7
311.09296	6.1
325.05673	4.7
325.10892	24.6
325.20090	47.0
325.23853	11.0
326.11057	2.4
326.20541	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	325.0928
Annotation	4'-O-beta-D-Glucosyl-cis-p-coumarate
Peak:m/z	Relative Intensity
53.57137	0.3
59.01381	1.7
69.65069	0.5
69.65475	0.8
71.01376	0.4
73.02940	0.3
74.70684	0.3
75.85459	0.3
76.96513	0.2
85.19334	0.2
87.00872	0.7
93.03452	0.8
100.89030	0.3
101.02485	0.3
105.20150	0.3
111.79750	0.2
117.03447	0.5
119.05027	100.0
120.05363	4.9
127.10983	0.3
163.04008	59.2
164.04369	3.0
174.77910	0.2
189.05548	0.3
246.52609	0.3
326.94675	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0929
Annotation	CHEBI:76092
Peak:m/z	Relative Intensity
52.91328	0.4
59.01384	6.1
66.36416	0.4
71.01379	2.8
71.55216	0.5
74.46368	0.4
79.47400	0.4
85.02938	1.0
87.00869	0.5
89.02452	2.4
91.45508	0.4
93.82910	0.3
94.43272	0.3
96.33007	0.3
100.43365	0.3
101.02444	1.3
112.70732	0.4
113.02451	0.9
117.03472	22.7
118.03808	1.0
119.05035	18.7
119.14442	0.4
120.05394	0.9
132.05746	0.5
133.06604	0.9
145.02957	100.0
146.03293	4.8
161.06110	0.9
163.04018	17.6
164.04326	1.0
185.53989	0.5
187.04021	3.2
205.05069	1.3
235.06052	0.4
265.07196	1.4
325.09216	4.2
325.12445	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2227
Annotation	Annosquamosin G
Peak:m/z	Relative Intensity
59.01381	41.4
69.25391	7.2
69.25811	5.6
71.01375	4.5
87.00864	2.1
89.02441	3.1
97.06599	1.6
101.02427	2.8
109.03049	1.3
111.59045	1.3
113.02446	3.3
137.09695	2.2
163.11247	2.7
163.65015	1.4
165.12773	1.9
217.15822	1.6
261.22125	3.3
291.19626	6.1
305.21222	100.0
306.21588	11.1
308.19858	1.6
323.18481	3.2
323.22253	50.5
324.22546	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	323.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
60.01688	1.3
67.57567	0.7
68.50800	0.9
70.00919	3.7
70.01266	1.1
71.01375	3.3
72.99284	1.1
83.65968	0.7
85.02939	1.2
87.00935	1.1
88.55363	0.9
89.02432	5.0
98.20644	0.9
101.02434	1.4
113.02454	1.8
119.03471	1.8
142.60472	0.8
179.05595	1.4
180.86237	0.9
208.85458	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86821	0.6
55.01899	0.9
58.00591	0.9
59.01378	100.0
60.01711	1.8
61.43785	0.6
68.48837	0.6
70.46892	1.4
70.47292	1.4
71.01381	16.8
72.99305	1.3
73.02962	0.8
83.01397	1.1
85.02945	3.9
87.00865	3.6
89.02443	24.1
95.01405	1.1
99.00895	0.9
101.02431	12.0
113.02452	9.2
116.05472	0.7
119.03495	9.9
127.00343	0.8
129.01959	1.1
131.03479	1.0
143.03502	1.9
143.07173	3.9
149.04549	0.9
157.01460	0.7
161.04605	2.5
167.12691	0.8
179.05672	4.0
186.17719	0.7
229.03781	0.8
230.87589	0.6
323.13455	39.5
324.13834	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	323.1499
Annotation	Eremofortin D
Peak:m/z	Relative Intensity
55.75599	0.2
57.03453	1.7
59.01380	100.0
60.01716	1.0
71.01379	0.4
72.99320	0.4
73.02953	0.2
96.92929	0.2
97.06602	1.0
101.02458	0.2
105.01942	0.4
110.66695	0.2
114.85126	0.2
121.06625	0.3
123.08104	0.2
137.09741	0.3
155.46666	0.2
161.09714	2.7
175.11302	0.4
177.12831	0.4
199.77527	0.3
207.10355	0.5
219.14134	0.3
259.19089	0.2
263.12985	0.7
281.13974	2.8
323.14966	3.9
324.15326	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33157	0.9
53.13448	0.9
58.00610	1.0
59.01381	100.0
60.01717	1.2
61.31886	0.9
66.34961	1.0
68.99821	1.7
69.03457	1.3
70.46602	2.0
71.01382	24.0
72.99315	19.6
73.02952	4.2
75.00877	1.8
83.01398	3.6
85.02953	6.3
87.00883	23.5
89.02446	16.0
97.02950	1.7
98.20019	1.0
99.00888	6.2
101.02441	11.4
103.00370	1.0
105.01940	25.5
109.03002	1.0
111.00883	11.2
113.02448	6.5
115.00350	4.3
119.03512	7.5
120.47990	0.9
125.02460	2.4
127.00378	14.7
127.01225	1.6
129.01944	6.3
131.03477	1.1
135.03029	1.4
139.00375	1.0
143.03485	1.6
143.07141	4.0
147.02969	1.7
149.04556	1.0
154.99860	1.2
157.01404	6.7
161.00941	1.8
161.04630	1.8
169.01476	2.4
175.02452	2.9
179.05614	2.4
198.73846	0.8
199.02463	2.9
229.03560	3.7
238.18829	0.9
252.44077	1.0
287.04071	4.1
299.44550	0.9
305.05209	9.2
323.06256	3.2
323.09741	1.6
323.13489	28.3
324.13541	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.062
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44697	0.7
55.01866	1.1
59.01382	62.5
62.07470	0.7
67.35474	0.8
68.99814	2.1
69.03452	1.1
70.02061	2.6
71.01383	12.3
72.99310	47.3
73.02956	2.3
75.00867	1.7
83.01381	2.3
85.02957	3.5
87.00876	30.2
89.02437	8.4
90.93799	0.7
95.01380	1.2
95.85920	0.8
97.02940	1.0
99.00870	5.1
101.02440	5.1
103.00349	2.3
105.01936	100.0
105.55541	0.7
106.02262	1.8
107.22019	0.8
111.00864	4.5
113.02467	4.5
115.00355	2.4
117.01936	1.4
119.03508	2.2
125.02442	8.3
127.00370	11.4
127.84997	0.7
129.01918	7.9
139.00308	0.8
141.01886	1.4
143.03502	1.8
143.07083	1.0
153.02014	1.5
157.01459	6.4
161.00948	4.9
161.04529	1.0
169.01392	3.3
175.02435	2.3
179.05504	1.2
181.01450	1.1
190.39445	0.9
193.03586	1.5
199.02487	2.7
229.03523	2.4
237.42299	0.8
272.01050	0.8
287.04007	1.9
287.07623	1.2
291.03363	0.8
305.05209	2.1
305.61819	0.9
323.06329	1.6
323.13464	6.3
333.99725	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.0617
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	4.8
57.03442	3.0
59.01379	47.6
68.99821	9.3
69.03453	4.0
70.88239	3.5
71.01385	51.1
72.01714	1.4
72.99311	81.5
73.02934	9.5
75.00875	5.5
83.01394	14.6
85.02958	17.4
85.25329	1.3
87.00878	81.1
88.01199	1.9
89.02448	19.5
95.01384	3.4
97.02945	6.0
99.00873	18.4
99.04509	2.1
101.02440	12.7
103.00368	6.3
105.01936	100.0
106.39323	1.3
108.18065	1.3
109.02957	1.5
111.00880	41.9
111.04510	1.6
113.02456	16.1
115.00387	13.5
117.01936	2.4
119.03472	3.3
123.00877	1.4
125.02451	6.4
127.00372	58.5
129.01944	23.1
131.03555	2.7
135.03000	2.8
137.02425	2.0
139.00360	2.2
141.01930	6.2
143.03542	2.4
145.01489	2.3
147.02989	5.9
153.01894	3.3
154.99864	6.5
155.03606	2.1
157.01418	27.0
161.00893	8.3
161.04405	4.0
169.01408	10.3
175.02489	15.1
181.01476	3.6
193.03502	5.7
199.02490	12.8
229.03529	15.0
229.68005	1.5
257.03107	2.5
287.04050	15.5
291.03610	2.3
305.05109	31.2
306.05469	1.4
323.05997	9.9
323.13397	4.9
347.32132	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54490	0.7
51.75066	0.9
53.87028	0.7
55.01869	1.1
57.03448	1.6
58.00593	2.1
58.28940	0.7
59.01379	100.0
60.01699	0.8
63.49847	0.7
68.70736	0.8
69.29544	7.1
71.01385	33.3
72.99310	6.4
73.02955	1.1
79.63637	0.7
83.01382	2.0
85.02950	5.9
86.00193	0.7
86.31604	0.7
87.00893	3.8
87.01376	0.7
89.02444	33.6
92.97255	0.8
95.01423	3.5
98.19831	1.5
101.02441	23.7
111.00903	0.7
113.02451	13.5
113.09702	0.9
114.86593	0.7
115.00379	3.1
119.03504	20.3
119.04967	8.4
131.03525	2.0
135.03070	1.0
141.09238	1.7
143.03490	1.8
145.03018	0.7
157.01456	0.8
159.10265	3.3
163.04025	8.6
175.02480	7.5
179.05565	1.7
321.06015	1.0
321.15540	28.1
322.15802	3.3
324.54874	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91946	1.5
50.92558	1.6
55.77504	1.5
57.03464	1.9
59.01381	15.3
59.94422	2.0
64.98359	1.6
71.01369	2.4
71.05018	29.7
71.44569	2.6
72.99253	1.9
78.52390	1.7
81.03451	6.8
83.05028	4.0
90.37152	1.6
95.90408	1.7
96.95975	2.4
97.03000	1.9
97.06584	3.2
100.35983	1.8
109.02956	4.8
109.06563	5.5
111.04521	52.5
111.08141	2.7
118.18005	1.6
127.07639	6.5
137.06047	9.8
137.09723	2.7
141.09193	3.0
149.06000	3.2
149.09752	8.0
151.07649	5.9
159.11761	3.1
177.12842	28.4
195.13847	4.6
233.15468	6.6
235.13390	8.2
249.14951	5.9
265.17996	2.4
288.17261	2.3
289.18088	16.0
292.16986	2.5
303.19681	3.3
306.18362	3.8
321.20679	100.0
322.20999	13.0
332.10571	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	321.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03425	5.3
59.01371	10.0
61.98809	2.8
69.03433	1.2
71.01360	1.4
71.05019	100.0
71.50931	2.2
72.05339	2.0
73.02946	3.5
73.28043	1.2
81.03455	5.9
83.04998	1.9
85.02944	1.3
89.02430	1.4
92.62379	1.1
95.05035	4.1
96.96002	1.8
97.06603	2.3
109.06577	3.7
122.60509	1.2
123.08150	2.1
137.06041	3.6
149.09682	2.1
151.11305	13.6
159.11563	1.1
166.93982	1.2
191.14375	4.4
192.14551	1.3
193.12305	3.9
217.12288	1.6
225.14912	3.3
233.15453	11.6
235.13390	2.3
249.14920	8.9
265.18146	7.8
289.18039	9.8
306.18289	12.9
307.18604	1.2
321.20670	63.7
322.21008	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	321.207
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05182	1.2
59.01379	100.0
60.01705	1.3
61.98830	4.0
62.54773	1.3
69.27249	12.4
75.00872	1.7
87.24845	1.2
89.84763	1.3
97.02885	1.2
151.73659	1.2
177.15201	1.4
194.18837	1.4
206.21887	1.6
281.09869	1.4
321.20715	59.1
321.24051	2.5
322.20993	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	319.1397
Annotation	Rengyoside B
Peak:m/z	Relative Intensity
55.01871	6.0
55.39336	1.4
57.03444	9.8
58.00588	3.1
58.99598	1.7
59.01380	96.9
60.42019	1.5
68.99818	2.2
69.03458	5.4
71.01383	52.4
71.05023	3.4
72.99311	4.3
73.02945	99.8
74.03287	2.2
75.00879	2.6
83.01400	7.5
83.05022	2.6
85.02946	16.7
87.00878	16.4
87.04532	2.4
89.02446	37.8
95.01381	3.3
97.02933	2.1
99.00883	8.7
101.02440	35.8
102.02827	1.7
102.98573	8.1
109.02965	3.0
111.00884	3.1
111.04510	1.9
111.08170	2.2
113.02441	19.0
117.01898	1.5
119.03519	16.5
121.02969	1.7
123.00940	1.9
125.02443	28.3
126.02720	1.4
127.00375	52.8
127.07647	9.6
128.00763	1.8
129.01942	3.3
135.03004	3.1
137.02458	4.6
139.07660	15.3
141.01921	3.2
141.09258	1.5
149.04594	2.2
157.01398	8.7
157.08679	17.5
158.09033	1.7
161.02446	4.0
161.04562	4.1
164.01173	3.7
165.01932	13.9
169.01448	4.2
179.05708	1.5
183.10306	2.4
197.04572	4.3
199.02446	8.2
201.07649	4.7
201.11320	100.0
202.11719	6.3
229.03531	6.7
268.42227	1.4
269.14798	1.5
275.15240	1.6
277.16599	2.7
319.13995	99.3
319.17410	5.7
320.14423	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	321.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39575	0.8
55.01871	1.2
57.03444	1.2
58.00583	3.9
59.01380	100.0
59.16833	1.0
60.37666	0.8
71.01381	52.7
72.99308	9.8
73.02943	3.0
81.44930	0.9
83.01380	3.2
84.66785	0.8
85.02944	9.5
87.00882	2.9
89.02443	50.5
95.01382	4.5
99.00892	1.1
101.02441	36.0
113.01720	1.5
113.02451	18.7
113.09723	2.0
115.00396	1.1
119.03500	25.0
119.05016	3.6
126.82282	0.9
131.03540	1.9
135.03000	1.4
141.09221	17.7
143.03485	2.2
149.04562	1.7
157.08662	2.0
159.10257	6.1
161.04501	1.5
163.04008	3.5
175.02516	2.3
179.05611	2.2
203.12915	1.9
233.11757	1.3
321.15543	90.4
322.15927	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	319.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	9.6
57.03442	9.6
58.00604	3.1
58.99596	1.8
59.01380	71.9
66.83791	1.3
67.53094	1.2
68.99820	2.8
69.03454	3.4
69.18716	7.9
69.19142	6.6
71.01382	78.1
71.05035	3.4
71.60735	1.4
72.01721	1.9
72.99306	5.3
73.02942	39.5
75.00874	3.5
76.53326	1.8
81.03427	2.1
83.01384	19.8
85.02949	39.1
86.00100	2.5
87.00875	18.0
87.04520	8.9
89.02442	15.3
93.46638	1.4
95.01402	5.9
96.99320	1.6
97.02952	5.5
97.06589	1.7
98.19893	2.2
99.00876	16.2
101.02441	66.8
102.02778	2.1
102.98594	6.5
111.00902	4.7
113.02454	27.5
119.03505	5.0
120.99652	1.7
121.02895	1.4
125.02456	9.9
127.00376	52.6
129.01923	8.1
135.02992	3.7
137.02454	2.4
138.05621	1.4
139.07698	2.4
141.01987	2.2
141.09216	1.4
154.99834	1.3
157.01430	7.8
157.08685	13.3
158.09041	1.3
159.03008	4.8
161.02431	2.8
161.04552	14.8
164.01076	1.4
165.01984	3.9
169.01477	4.5
171.10312	3.5
183.10402	1.7
189.06102	2.1
199.02448	8.4
201.07698	5.6
201.11432	24.5
202.11815	1.7
229.03406	6.7
245.13936	3.9
275.10220	2.5
275.15021	11.7
277.16498	2.1
300.31384	1.4
319.14005	100.0
319.17508	10.9
320.14249	5.3
329.30664	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.067
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	2.5
55.10298	0.7
57.03432	0.8
59.01370	3.1
60.53040	0.7
65.97089	0.7
68.99816	4.2
69.03451	0.9
69.23436	0.7
69.51334	1.8
69.51743	3.1
71.01379	9.9
72.99305	2.0
73.02948	2.5
75.00876	1.3
83.01391	3.3
83.23820	0.7
85.02952	3.1
87.00879	21.5
87.79675	0.7
95.01366	1.1
97.02966	1.4
98.19873	0.9
99.00884	11.1
101.02441	1.3
111.00881	2.6
112.03111	0.6
113.02477	1.7
115.00363	1.3
123.00917	0.9
125.02448	1.6
126.39825	0.7
127.00375	100.0
128.00711	3.1
129.01944	7.1
135.03003	1.1
139.00380	0.8
141.01918	3.6
153.01952	1.7
157.01427	14.3
157.08641	1.7
159.02893	1.5
169.01402	9.4
173.30432	0.9
181.01413	2.6
195.21559	0.7
198.75240	0.7
199.02489	15.7
201.07614	1.1
201.11310	1.7
229.03505	11.1
287.03989	1.1
304.43243	0.8
319.09998	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.067
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23011	0.8
55.01865	3.1
56.23683	1.0
57.50585	0.9
58.02316	0.9
59.01383	1.4
61.56474	0.9
67.01897	0.9
68.99813	3.4
69.03475	1.2
71.01381	11.1
72.99299	1.4
73.02959	1.7
75.00862	1.1
83.01382	3.3
84.01923	0.9
85.02965	3.7
87.00877	25.3
95.01379	1.0
97.02977	2.1
99.00874	11.0
101.02431	1.5
109.02967	1.4
111.00887	3.6
113.02432	3.3
115.00382	1.0
125.02399	1.5
127.00370	100.0
128.00694	3.7
129.01955	8.2
131.79034	0.9
139.29910	0.9
141.01909	3.8
153.01978	1.9
157.01407	18.2
159.02963	1.7
169.01416	9.2
181.01401	3.6
199.02489	15.3
226.96315	1.0
229.03523	12.3
229.05661	1.4
229.47678	1.3
233.85916	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.0458
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	3.1
56.36538	0.8
59.01371	3.4
65.00306	0.8
69.27348	6.5
69.27758	1.6
71.01363	3.5
71.05025	9.9
73.02949	1.4
77.23033	0.8
83.01382	1.3
85.02921	1.2
87.00870	3.2
89.02419	0.9
95.05022	22.2
97.02950	31.0
98.20647	1.9
99.00867	1.9
102.98608	0.9
109.02957	18.8
113.99574	2.0
115.04059	4.8
119.04916	1.0
123.00883	1.0
126.99488	1.2
127.00385	13.5
129.01973	1.3
137.02438	2.4
139.04022	67.5
139.07600	1.2
140.04291	2.2
153.01947	31.6
154.02333	1.1
157.01375	1.7
159.10304	1.1
165.01927	11.1
166.34886	0.8
169.01312	1.5
183.02985	100.0
184.03297	5.4
189.09459	1.0
199.02480	1.3
201.11261	1.6
207.06667	0.9
229.03476	1.4
301.16376	1.2
318.72333	1.0
319.08713	1.3
319.17508	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	319.067
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	2.9
58.15165	0.8
59.01378	2.5
63.84757	1.0
65.03970	0.8
68.99815	3.8
69.03457	2.1
69.64521	4.5
71.01394	9.1
72.99301	3.0
73.02941	1.9
74.02982	0.8
75.00871	1.3
80.73991	0.8
82.68153	0.8
83.01418	4.3
85.02951	4.1
85.08295	0.9
87.00877	24.7
99.00894	11.0
101.02462	2.5
111.00867	3.6
113.02467	3.7
123.00858	1.3
125.02467	2.4
127.00376	100.0
128.00728	2.9
129.01949	6.4
141.01965	3.2
146.41504	0.9
153.01962	1.7
157.01407	15.9
159.02922	1.5
169.01439	10.9
181.01442	1.8
199.02498	13.6
201.85913	0.9
206.00839	0.9
229.03537	12.0
297.06650	1.0
319.13879	1.3
334.38812	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.0668
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83826	0.6
53.44476	0.7
55.01875	2.7
59.01384	2.0
60.04510	0.7
65.26920	0.6
67.01891	0.9
68.99820	4.2
69.03452	1.5
69.92199	3.3
71.01383	11.0
72.99308	2.6
73.02940	1.8
73.05565	0.6
75.00863	1.2
80.87291	0.6
81.03451	0.6
83.01385	4.5
85.02938	4.0
87.00877	26.3
95.01382	1.6
95.77218	0.6
97.02948	1.6
98.20664	0.9
99.00881	11.4
101.02448	2.1
104.45982	0.8
109.02926	1.2
109.13707	0.7
111.00871	3.6
113.02451	3.2
115.00368	1.1
123.00891	1.5
125.02444	2.4
127.00375	100.0
128.00713	2.7
129.01944	9.0
139.00467	1.2
141.01895	3.5
145.01494	0.9
153.01892	1.8
157.01416	18.9
158.01692	0.7
159.03053	0.9
164.88892	0.7
169.01442	10.1
175.02461	1.4
181.01367	2.4
199.00816	0.5
199.02469	13.8
200.02859	0.8
210.77182	0.6
229.03508	11.1
229.05595	1.0
283.10425	0.8
287.04141	1.6
319.07159	1.4
319.50375	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1965
Annotation	Phytocassane D
Peak:m/z	Relative Intensity
58.29498	0.9
59.01368	1.9
61.26752	1.0
61.98834	1.9
71.24617	1.7
83.05025	2.2
84.77721	1.0
97.00495	1.0
117.03467	5.8
119.05000	2.5
121.02959	2.1
123.04453	1.1
125.02511	1.1
145.02960	20.6
151.00349	1.2
153.01929	1.1
163.04028	1.5
169.01468	1.4
181.60812	1.0
217.15683	1.1
220.14685	1.5
238.85558	1.1
273.08386	5.5
285.18594	19.6
286.18878	1.8
286.89813	1.0
315.09427	4.7
315.15967	25.2
315.19608	100.0
316.02405	1.4
316.16281	2.7
316.19943	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	316.0672
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73901	0.2
54.33406	0.2
65.99850	0.4
70.01122	0.5
70.01516	0.3
74.13971	0.2
84.75369	0.2
95.01405	0.3
98.20573	0.2
123.00901	2.5
124.01672	6.5
125.01985	0.2
151.00487	0.3
153.00685	2.4
154.01460	100.0
155.01822	3.3
197.13211	0.2
272.11154	0.3
303.29614	0.2
316.06717	13.3
317.07132	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.1037
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	3.8
65.68829	0.5
66.86851	0.4
69.37313	3.2
71.01385	2.3
72.99312	0.9
73.02919	0.5
74.65056	0.4
75.00885	0.6
76.79647	0.5
81.03475	0.6
83.01386	1.5
85.02942	0.7
86.24693	0.4
87.00877	0.7
89.02455	1.6
94.02977	8.5
95.01363	0.5
95.05031	1.1
108.02165	2.3
109.02945	3.0
110.02506	1.3
110.03308	2.5
111.00865	0.7
112.04075	1.6
113.02456	1.2
117.05574	3.5
118.03032	0.9
118.05961	1.0
120.99668	0.7
121.05341	1.6
123.04514	3.4
124.04034	4.8
124.04867	3.6
124.07677	2.1
125.02480	0.5
135.03029	2.9
136.04045	100.0
136.07674	42.3
137.04414	3.3
137.08041	2.1
139.00359	1.2
140.01163	17.8
153.01942	5.4
153.05595	5.3
154.02310	4.2
154.04822	0.8
154.06041	4.9
154.08823	0.6
155.02461	0.9
155.03506	22.4
155.07121	0.7
167.01753	0.7
168.06654	1.8
180.06660	3.1
184.06139	2.4
194.99266	0.6
198.07730	9.6
286.09329	1.2
298.99063	0.5
316.07239	4.8
316.10693	4.2
317.05127	1.2
317.08435	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1241
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42758	0.5
56.26686	0.4
59.01379	2.0
63.31965	0.5
64.41891	0.4
64.65979	0.5
66.84468	0.5
69.70275	2.4
69.70699	0.9
70.05501	0.4
71.01387	1.3
72.91364	0.4
72.99337	0.6
73.02943	2.8
75.00915	0.8
79.95757	0.7
80.96520	7.2
89.02493	0.6
97.02929	0.5
109.03041	0.5
110.25002	0.5
114.84269	0.5
123.04372	0.5
125.02508	0.7
135.02988	0.9
135.08159	0.7
137.02431	0.6
137.09715	7.7
139.04034	0.8
151.00336	1.1
155.10780	100.0
156.11127	4.9
165.01865	0.6
167.14473	1.1
170.43120	0.5
178.99812	0.9
199.09750	60.0
200.10120	3.3
235.13403	2.0
273.11887	1.0
275.18570	1.1
317.02859	1.2
317.06543	1.9
317.12787	8.4
317.15958	2.6
317.19916	3.1
318.12921	0.9
318.20322	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1198
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09360	1.0
52.22098	1.2
54.97260	1.1
57.03435	2.4
57.90894	1.1
59.01358	4.0
59.01651	0.9
60.23322	1.1
61.46964	1.1
66.03432	0.9
67.83093	1.0
69.03439	1.8
69.26517	2.8
69.26939	7.2
71.01363	2.7
72.04511	1.7
72.99288	1.1
73.02932	3.3
73.04073	8.7
74.02470	1.8
78.73818	1.0
80.96494	3.0
81.02155	1.4
82.02990	12.0
83.01391	8.0
83.04978	1.3
84.00901	10.7
85.02924	2.3
86.06129	1.2
87.00843	1.4
94.02957	4.4
96.03971	1.3
96.04552	22.1
96.95921	1.3
98.01891	1.4
98.02467	12.2
99.00890	1.6
100.04063	5.2
101.02422	1.3
102.98611	1.0
109.02921	3.2
109.68684	1.2
110.02439	2.4
112.04041	19.0
114.05553	2.1
114.09185	1.2
120.99602	1.4
122.02515	7.1
123.04500	2.4
125.02399	4.8
125.25806	1.1
128.07143	1.8
130.08740	100.0
131.08992	1.5
138.03175	2.3
139.05093	2.9
139.78247	1.2
140.03468	4.9
140.07086	4.5
141.10295	3.7
143.11902	81.3
144.12193	3.1
149.02390	5.1
150.05559	3.0
151.00385	9.1
151.07539	1.4
152.07133	2.7
153.01871	3.7
153.05583	9.0
156.03021	12.2
161.09642	1.1
166.01451	21.8
169.01285	4.7
169.09790	2.5
178.03732	2.1
179.11955	2.8
184.02484	9.0
187.10857	11.5
197.08188	1.3
199.14310	1.7
207.11334	1.7
209.11099	1.6
209.12949	29.7
210.13231	2.1
225.12463	6.6
227.14018	2.1
235.10677	1.3
253.11919	49.9
254.11998	2.2
256.07278	1.2
269.11417	44.0
270.11673	1.7
271.13065	12.0
276.34924	1.2
297.07895	2.0
297.10886	29.8
298.11099	2.7
315.06625	6.5
315.11795	69.7
316.12045	5.6
324.48764	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0723
Annotation	4-(beta-D-glucosyloxy)-3-hydroxy-benzoic acid
Peak:m/z	Relative Intensity
59.01382	1.0
69.38414	4.7
71.01385	2.4
73.02962	1.0
76.48653	0.6
79.70903	0.6
81.03438	0.7
85.02951	1.7
95.01405	0.7
101.02417	0.8
104.45629	0.6
107.15801	0.6
108.02172	100.0
109.02978	33.1
110.03290	0.9
113.02476	1.5
117.05569	3.5
121.02956	0.9
123.00913	1.7
123.04513	1.7
133.02888	1.0
133.15108	0.6
151.03984	1.6
152.01151	71.9
153.01945	36.3
153.05505	3.1
154.02229	1.1
163.04031	0.9
165.01880	1.5
315.07205	70.2
316.07465	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	315.1085
Annotation	Taxicatin
Peak:m/z	Relative Intensity
56.01815	0.4
57.03440	0.5
63.44649	0.4
65.00318	0.4
70.95930	0.7
70.96279	0.4
83.01389	1.3
92.71381	0.3
95.05016	0.5
100.52934	0.3
105.09132	0.3
107.01408	1.5
109.02953	1.8
122.03744	0.9
123.04527	72.8
124.04837	3.3
125.02442	4.9
151.00368	12.3
152.00757	0.4
153.02106	2.7
153.05577	100.0
154.05908	4.7
167.96443	0.4
169.01427	7.1
180.10150	0.3
220.78632	0.3
247.49710	0.4
299.75726	0.4
315.07306	11.5
315.10965	2.4
316.07523	0.9
327.32736	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0723
Annotation	4-(beta-D-glucosyloxy)-3-hydroxy-benzoic acid
Peak:m/z	Relative Intensity
57.03448	7.9
59.01381	3.2
65.00321	6.5
69.03435	0.7
69.54356	0.6
71.01406	1.2
71.54832	0.9
72.99319	0.9
73.02960	1.2
78.26393	0.5
79.95708	0.8
80.96513	1.3
81.03468	1.8
83.01387	14.2
83.01894	0.9
85.02992	0.7
87.00879	6.3
87.04556	0.6
89.02471	0.7
97.02989	0.8
97.06606	0.8
100.61265	0.6
102.98624	0.6
106.71174	0.6
107.01394	13.0
109.02983	0.7
111.00903	0.6
113.02415	0.6
121.02948	1.0
123.04515	0.7
124.01669	2.0
125.02448	39.9
127.07645	0.6
127.33198	0.6
129.01826	0.7
150.05594	2.8
151.00368	100.0
152.00664	4.0
153.01927	0.9
153.05527	0.7
155.07207	0.7
168.00624	1.6
169.01428	66.6
170.01768	1.6
173.08286	0.6
175.02405	0.8
225.84625	0.6
243.03015	0.8
253.08760	0.7
255.12361	0.7
271.02509	0.7
271.15570	1.1
273.13351	1.9
287.01883	1.2
297.13376	1.5
315.07208	94.9
315.14221	9.4
315.18002	1.8
316.02191	1.1
316.07452	6.4
316.73642	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.8651
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	3.0
71.53500	0.4
77.60632	0.3
78.28047	0.3
79.95750	0.5
119.93848	0.3
134.96086	7.7
135.96201	0.4
136.94005	16.9
137.94096	1.3
138.93748	0.4
151.92705	2.0
152.91748	0.4
156.90257	0.4
178.95059	10.9
179.95193	1.2
194.92798	0.6
216.89708	0.4
219.94173	0.3
243.85934	0.6
258.34656	0.3
263.85065	1.5
264.84473	0.3
270.87485	6.2
271.87479	0.4
272.85434	100.0
273.85541	6.9
274.33325	0.4
274.86118	0.3
278.46088	0.3
287.84140	21.8
288.84305	1.7
288.88553	8.0
289.88589	0.5
290.86490	26.2
291.86621	1.5
305.85208	2.4
309.79553	0.3
314.86487	97.9
315.86536	7.7
316.84415	1.8
332.87558	10.9
333.87708	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1137
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23864	0.6
54.95324	0.7
55.01880	1.6
56.75554	0.6
57.03455	1.5
58.00598	3.0
59.01380	100.0
67.90826	0.8
69.79408	3.3
71.01382	70.3
72.99306	4.0
73.02951	6.8
83.01395	3.3
85.02950	11.4
87.00890	4.7
89.02445	81.0
90.02779	1.7
95.01413	3.3
97.02962	0.9
99.00907	1.7
101.02445	39.4
113.02447	23.3
114.02798	1.1
115.04043	3.0
119.03504	28.9
125.02454	1.0
131.03506	5.4
133.05074	1.6
139.00351	1.0
143.03503	6.7
149.04591	4.1
151.04051	2.9
151.06114	32.3
152.06485	1.2
161.04562	8.8
163.06140	1.9
179.05609	24.2
180.06021	1.3
181.07158	3.9
213.47533	0.7
233.10153	1.3
277.09302	4.9
313.11386	46.2
314.11679	2.4
314.47156	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1137
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23864	0.6
54.95324	0.7
55.01880	1.6
56.75554	0.6
57.03455	1.5
58.00598	3.0
59.01380	100.0
67.90826	0.8
69.79408	3.3
71.01382	70.3
72.99306	4.0
73.02951	6.8
83.01395	3.3
85.02950	11.4
87.00890	4.7
89.02445	81.0
90.02779	1.7
95.01413	3.3
97.02962	0.9
99.00907	1.7
101.02445	39.4
113.02447	23.3
114.02798	1.1
115.04043	3.0
119.03504	28.9
125.02454	1.0
131.03506	5.4
133.05074	1.6
139.00351	1.0
143.03503	6.7
149.04591	4.1
151.04051	2.9
151.06114	32.3
152.06485	1.2
161.04562	8.8
163.06140	1.9
179.05609	24.2
180.06021	1.3
181.07158	3.9
213.47533	0.7
233.10153	1.3
277.09302	4.9
313.11386	46.2
314.11679	2.4
314.47156	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2386
Annotation	(plusmn)12,13-DiHOME
Peak:m/z	Relative Intensity
51.53068	0.7
57.03420	1.1
59.01372	3.7
61.98829	2.5
69.80318	3.5
71.01381	1.3
74.12524	1.0
98.20556	1.1
117.03452	3.4
121.02941	3.9
125.09724	1.1
127.11263	1.7
139.11285	1.7
145.02953	14.0
155.10785	2.7
167.81264	1.0
171.10225	4.2
204.67122	0.9
207.10089	1.2
295.22836	7.0
313.07162	1.0
313.14728	10.2
313.18515	4.5
313.23837	100.0
314.14655	1.3
314.24271	10.1
333.73602	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.2701
Annotation	Halisphingosine A
Peak:m/z	Relative Intensity
55.09401	0.8
59.01380	2.3
61.98811	0.8
70.02979	1.4
100.64461	0.8
112.60207	0.7
112.96219	0.8
118.05078	0.8
145.02942	1.5
151.00317	0.8
153.05582	0.8
268.26443	2.3
270.24387	2.0
305.35168	0.8
314.27008	100.0
315.16025	1.8
315.19568	2.1
315.27609	8.6
321.89539	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0718
Annotation	Sylpin
Peak:m/z	Relative Intensity
59.01378	0.5
60.23757	0.2
61.98828	0.4
77.03979	0.3
81.97511	0.2
89.02478	0.2
93.03477	0.3
111.08285	0.2
121.02956	100.0
122.03288	4.0
180.05772	1.1
181.06589	5.1
182.06947	0.4
225.05563	6.8
226.05954	0.5
240.48730	0.2
241.10614	0.2
269.08127	0.4
269.24899	0.2
288.98233	0.2
295.04245	0.2
313.07187	13.1
314.07495	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0928
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	2.5
55.92348	1.0
57.03447	2.7
58.00591	3.0
59.01381	100.0
67.52939	0.8
71.01382	58.2
71.54649	1.4
72.99313	4.3
73.02952	4.1
75.00878	2.2
76.92798	0.9
83.01392	3.9
83.05025	1.4
85.02953	15.2
87.00882	3.6
87.17812	0.9
88.48092	0.9
89.02448	62.8
95.01382	5.5
95.05016	1.2
97.02959	1.4
99.00896	2.9
101.02444	38.4
107.05034	32.3
108.05379	1.3
109.02964	3.0
113.02450	22.5
116.28709	1.0
119.03500	25.6
119.04934	1.3
123.04504	2.1
126.43880	0.9
129.01923	1.0
131.03516	3.1
138.05606	2.3
143.03485	3.1
149.04575	1.3
150.06862	4.8
151.04013	4.4
151.07658	1.2
161.04556	3.6
173.20998	1.0
179.05635	2.0
248.79527	0.9
269.13699	1.1
313.09198	8.5
313.12897	8.5
314.12851	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	313.093
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	2.4
57.03442	2.3
58.00589	4.4
59.01379	100.0
60.01723	1.5
71.01381	64.7
71.55078	1.7
72.01742	1.1
72.99287	7.0
73.02930	5.4
83.01394	4.3
83.05069	1.1
85.02953	12.4
87.00878	4.1
89.02444	69.8
95.01383	5.3
95.04996	1.4
97.02962	1.5
99.00872	3.3
101.02446	37.1
102.02821	1.2
107.05029	30.9
109.02964	2.2
113.02441	20.8
115.04008	1.1
119.03505	31.0
125.02412	1.9
127.00296	1.0
131.03476	2.4
133.06618	2.1
138.05588	3.0
143.03488	2.3
149.04469	1.8
150.06850	4.0
151.00320	1.6
151.04015	5.8
151.07637	1.3
161.04552	4.4
165.05594	1.8
167.31216	1.1
179.05617	2.2
247.52422	1.1
313.09225	12.1
313.12747	7.3
314.12595	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	311.2227
Annotation	9,10-Epoxy-13-hydroxy-11-octadecenoate
Peak:m/z	Relative Intensity
57.03444	1.8
59.01385	4.6
62.33860	0.9
70.55920	2.0
84.54108	0.8
98.19909	0.9
121.10221	2.0
123.08177	1.5
125.09715	3.9
127.11263	6.2
139.11284	13.8
141.12880	0.8
155.10770	3.0
165.09096	1.2
166.09196	0.8
171.10268	63.6
172.10603	3.1
183.10213	6.8
185.11823	10.8
197.11983	0.9
201.11330	12.3
211.13496	1.2
219.25449	0.8
250.01277	0.8
251.11447	1.1
265.21680	1.0
275.20139	5.9
293.21237	16.9
294.21600	2.0
311.22260	100.0
312.22629	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	311.2228
Annotation	9,10-Epoxy-13-hydroxy-11-octadecenoate
Peak:m/z	Relative Intensity
57.03452	3.1
59.01374	8.4
61.98843	1.1
63.14487	1.1
63.14820	1.0
67.44280	1.0
69.03427	0.9
70.44866	1.2
70.45202	2.8
86.24924	1.0
98.20590	1.6
99.08144	2.0
113.09738	4.6
121.10199	1.4
125.09756	2.3
127.11288	2.6
129.09224	5.7
139.11305	9.8
153.09241	1.6
155.10730	1.8
167.10745	1.6
169.12329	3.3
171.10266	34.0
172.10667	1.7
181.12337	3.5
183.10262	4.0
185.11835	8.7
193.12305	1.6
197.11819	11.1
199.13354	4.4
199.58699	1.1
201.11267	5.1
211.13400	17.8
225.18182	1.2
245.54448	1.0
275.20160	4.2
293.21219	23.4
294.21588	2.8
311.16531	2.8
311.22275	100.0
312.22662	9.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.0926
Annotation	R1128B
Peak:m/z	Relative Intensity
52.25523	1.0
58.91035	1.2
59.01387	1.8
66.46382	1.2
71.78389	1.1
75.47806	1.0
76.91820	1.1
78.95080	1.0
90.08314	1.0
93.03457	30.1
96.99300	10.5
102.23483	1.3
103.05531	1.9
115.05537	6.8
117.03454	4.3
119.04242	2.1
119.05029	23.5
130.04239	3.3
131.05020	3.9
133.02936	4.2
136.51242	1.1
143.05011	15.7
145.02953	2.5
147.04500	8.0
148.04973	1.3
155.92693	1.1
163.04015	11.7
163.91347	1.1
173.82758	1.2
195.08150	7.3
206.07393	1.7
207.08020	1.3
212.83748	1.2
219.08138	5.0
221.09708	8.0
223.11414	2.4
229.17265	1.6
249.09200	35.2
250.09502	3.5
267.10291	4.0
293.08261	11.9
311.09256	100.0
312.09573	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	311.0984
Annotation	Vicianose
Peak:m/z	Relative Intensity
55.01882	1.5
58.00582	2.5
59.01380	100.0
62.83986	1.1
69.03460	7.8
71.01382	46.0
71.01777	2.4
71.53599	1.8
72.99310	10.4
73.02953	4.1
75.00864	3.3
78.95923	1.2
83.01383	3.7
85.02942	10.5
87.00871	5.0
87.80750	1.0
89.02445	42.7
95.01398	1.8
96.96001	2.5
97.02925	1.4
97.82578	1.1
99.00878	1.9
101.02444	30.2
105.01919	2.5
113.02454	16.7
119.03509	20.4
129.01967	1.4
131.03494	3.7
133.05037	3.6
134.03748	1.1
143.03497	3.7
149.04590	1.4
152.91782	1.6
153.01904	1.1
161.00882	1.8
161.04564	4.0
163.03912	1.5
177.03987	1.7
179.05624	4.0
189.05591	2.7
194.92784	2.3
218.83679	1.2
251.11221	5.5
296.36935	1.1
311.09824	87.0
312.10275	5.9
320.65674	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2227
Annotation	Octadec-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
50.61979	0.7
55.64849	0.6
58.00597	9.8
59.01376	8.9
70.10706	1.1
70.11061	2.7
70.16477	0.7
71.01382	1.1
73.02937	2.7
78.18748	0.7
79.16809	0.7
97.06583	0.8
98.20587	0.7
109.06554	1.3
119.21248	0.7
121.10216	0.7
122.19658	0.7
125.09685	1.4
127.07669	6.9
127.11263	3.1
127.98826	0.6
139.11194	0.8
150.68671	0.8
155.10770	1.4
161.04626	0.9
165.09258	0.9
171.10240	2.7
181.12303	1.4
183.10269	0.8
183.13895	24.3
184.14191	1.8
195.13905	1.8
201.11308	20.1
202.11714	0.9
211.13396	0.7
213.14929	6.1
221.56380	0.7
223.13396	2.5
241.14407	6.3
251.11316	1.4
275.20160	2.5
293.21121	8.2
311.22266	100.0
312.22586	9.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.0926
Annotation	Phaeochromycin A
Peak:m/z	Relative Intensity
59.01371	4.6
69.19789	13.4
71.90391	1.5
80.27361	1.3
93.03034	1.3
93.03471	14.8
98.19853	2.9
103.05541	3.1
115.05553	2.4
117.03451	2.0
119.05027	100.0
120.05362	2.7
131.05002	3.5
133.02928	1.8
143.05013	4.9
145.06590	2.9
147.04529	66.6
148.04819	2.0
163.04012	93.9
164.04343	3.5
195.08128	4.0
219.08270	1.8
221.09731	9.5
223.11279	18.2
235.71034	1.5
249.09135	7.8
267.10248	50.6
267.13174	2.4
268.10565	2.6
293.07907	2.4
311.09247	89.6
312.09637	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	309.2071
Annotation	Porrigenic acid
Peak:m/z	Relative Intensity
50.53504	1.5
51.13861	1.6
51.35710	1.4
57.03443	4.2
58.00607	1.6
59.01366	8.1
61.98816	2.7
69.03429	2.1
70.56009	3.1
70.56344	3.8
71.01382	5.2
80.02677	10.8
84.02179	2.1
89.02472	1.7
92.56808	1.6
95.04998	2.2
96.95990	3.5
97.06618	3.1
99.00881	2.6
111.08156	2.4
123.08141	20.2
125.09730	21.2
127.11259	7.6
135.08128	3.5
137.09708	14.4
139.11296	10.0
141.09225	2.4
141.12839	3.7
149.09644	2.1
151.03964	5.4
151.07637	11.5
151.11241	2.0
152.08423	9.3
152.71230	1.8
155.09573	3.3
155.10780	47.6
156.11101	3.5
165.12868	2.3
165.42236	1.9
167.10773	6.3
171.10274	99.6
172.10593	7.0
185.11823	100.0
186.12138	2.9
193.15918	2.6
209.11742	3.7
209.15430	20.8
209.56276	1.9
210.15776	2.0
212.10469	3.5
237.63506	2.0
247.20566	6.9
251.20184	1.9
252.09880	3.4
263.20221	9.2
265.18051	3.5
265.21707	4.3
281.21170	12.1
291.16550	1.4
291.19662	35.1
292.19922	3.4
305.18887	1.7
309.03845	2.5
309.15063	10.4
309.17068	23.4
309.20709	32.0
310.15286	2.4
310.17834	1.9
310.21033	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	311.0925
Annotation	Phaeochromycin A
Peak:m/z	Relative Intensity
59.01373	4.5
69.19547	9.7
80.00209	0.9
93.03461	13.1
96.99305	2.1
103.05560	2.2
115.05502	1.4
119.05032	100.0
120.05369	4.0
121.02949	2.9
121.15794	0.9
131.05045	3.3
143.05026	3.7
145.06648	2.4
147.04530	33.6
148.04883	1.7
163.04012	50.0
164.04366	2.0
181.06767	1.4
193.06615	1.4
195.08144	2.5
219.08125	2.0
221.09676	12.8
223.11243	12.7
237.09210	2.5
249.09186	6.6
249.41360	1.0
267.10245	37.7
268.10550	3.8
293.02481	1.1
293.08145	3.0
311.09222	85.9
312.09540	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	309.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01361	4.0
67.01879	2.4
69.03453	2.5
69.43453	7.2
69.43863	3.3
71.05006	5.6
80.02680	11.6
80.68469	1.4
81.03435	6.1
83.05022	30.5
84.02150	12.7
88.28059	1.5
92.16648	1.4
93.74451	1.3
97.06576	5.4
99.00909	1.7
99.08158	10.2
106.04150	1.5
109.06621	3.4
112.40424	1.4
113.09752	3.2
115.07639	5.8
118.55261	1.4
123.04520	3.2
125.09746	7.1
127.11243	5.2
137.09726	55.6
138.10028	2.9
139.11295	10.6
151.03987	2.0
151.07666	2.8
151.11243	5.7
152.08386	4.1
153.09210	10.7
154.09956	1.5
155.10782	56.4
156.11105	1.8
165.12796	1.7
167.10742	4.4
171.10257	55.9
172.10524	3.0
177.12810	2.1
193.12335	30.0
203.14282	1.9
209.11754	4.1
209.15443	5.7
211.13350	5.4
211.41121	1.3
221.11670	1.9
225.18585	1.9
247.20734	7.2
263.20120	5.4
265.21680	12.1
281.21216	2.4
291.19653	100.0
292.19955	11.7
309.04874	1.6
309.14978	4.2
309.17151	5.8
309.20657	76.0
310.17606	1.7
310.20752	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	309.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34961	1.3
57.03452	4.5
58.00601	1.4
59.01378	8.5
61.98822	1.8
69.03453	1.9
71.01385	4.6
71.54942	2.1
74.27741	1.9
80.02686	6.6
83.05032	2.0
84.02168	1.9
96.96020	3.5
97.06593	3.0
99.00874	3.6
99.08132	1.9
101.02446	2.2
118.65148	1.3
123.08155	16.5
124.08585	2.0
125.09724	20.2
127.11303	8.9
135.08212	1.7
137.09721	14.9
138.10104	1.5
139.11310	8.5
139.19023	1.4
141.09238	3.5
141.12820	2.4
151.04012	4.7
151.07678	10.6
152.08379	7.4
153.09187	3.0
155.09581	2.9
155.10785	44.2
156.11118	3.0
157.12259	1.3
161.93333	1.3
167.10779	6.1
171.10271	100.0
172.10654	5.1
183.01225	4.0
185.11832	84.4
186.12198	5.0
193.08711	2.3
209.02702	1.4
209.15450	11.4
212.10548	3.3
233.09909	1.9
247.17139	1.6
247.20625	5.8
252.10005	2.4
263.20154	11.3
265.18039	2.8
265.21771	4.2
272.17255	1.5
273.18625	2.8
281.21198	14.9
282.21509	2.0
291.16629	3.1
291.19687	37.8
292.19690	2.1
309.15176	18.0
309.17194	14.8
309.20340	36.9
310.20984	3.4
329.94244	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.207
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38068	1.8
52.94514	1.7
59.01377	4.9
69.03454	6.5
69.38547	3.0
69.38952	11.3
83.04972	2.0
93.07108	1.7
98.20619	2.9
107.08637	2.3
108.05844	2.1
119.08656	22.3
121.10197	2.9
125.09690	5.3
127.11271	3.7
135.08157	3.7
137.09715	36.4
139.11308	2.3
141.52098	1.7
151.11285	1.7
154.50591	1.8
155.10747	5.0
167.10751	5.2
171.10263	100.0
172.10677	2.8
183.10228	7.6
185.11823	28.2
195.10217	2.6
201.11319	6.5
213.11310	9.5
263.19974	2.2
273.18561	13.9
291.19693	31.6
292.19986	4.7
309.17334	2.9
309.20694	57.9
310.21033	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	309.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03462	2.7
59.01369	6.1
70.95246	3.1
70.95554	3.6
71.05003	4.2
72.86899	2.4
73.32578	2.4
79.95738	3.7
80.02679	17.6
81.03452	9.8
83.05023	40.6
84.02161	19.5
95.05029	2.9
97.06578	8.9
99.08134	10.8
109.06581	5.8
111.08111	3.4
111.48734	2.7
115.07658	5.3
119.08630	4.0
125.09708	10.2
127.11293	7.0
137.09720	93.2
139.11263	19.4
142.44543	3.1
151.03981	3.3
151.07607	10.6
151.11240	4.9
152.08386	7.0
153.09164	10.2
155.10789	67.8
156.11171	3.9
167.10822	3.6
171.10265	90.2
172.10706	4.8
193.12318	39.2
209.11862	3.5
209.15448	12.8
211.13379	9.7
213.26836	2.5
247.20555	5.5
263.20160	11.0
265.21698	6.5
291.19656	100.0
292.19971	9.0
309.17020	15.2
309.20654	87.9
310.20990	10.9
312.82025	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	309.2071
Annotation	9(S)-HpOTrE
Peak:m/z	Relative Intensity
57.03428	1.0
57.54920	0.6
59.01359	1.0
61.50637	0.6
71.39213	1.1
82.41615	0.6
88.46346	0.6
88.48773	0.7
97.02964	0.7
97.06577	2.8
97.97536	0.6
109.06584	0.8
111.08105	0.8
113.09721	3.1
115.07610	2.2
125.06011	0.8
139.11295	1.1
141.09203	1.9
151.11302	0.9
152.08388	1.6
163.11343	1.0
165.12811	4.6
167.10750	0.8
167.14392	2.4
181.12358	5.4
181.90768	0.7
183.13847	1.6
193.12248	2.1
195.13910	1.9
197.84135	0.6
209.15410	2.3
211.13350	4.1
213.58487	0.6
221.15414	1.7
229.14352	1.1
237.18579	0.7
240.13647	3.2
241.14409	0.9
242.15103	0.6
247.20616	5.4
265.21735	1.3
273.18610	4.1
281.21170	2.5
291.19638	50.2
292.20032	6.0
309.20685	100.0
310.21039	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	309.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	2.7
59.01370	4.0
59.37806	1.3
69.03456	6.2
71.00175	2.7
71.01386	1.2
71.49547	1.3
79.63990	1.3
82.16768	1.2
82.30446	1.5
83.05006	1.3
93.03411	1.5
97.06509	1.3
107.08657	1.7
108.05807	1.8
111.08148	1.9
116.97457	1.2
119.08678	17.8
121.10244	2.1
125.09763	7.4
127.11315	2.7
135.08170	2.8
137.08762	2.3
137.09735	31.2
138.10100	1.7
139.11259	1.9
151.03993	2.1
151.07628	3.9
151.11279	1.7
152.08414	1.7
153.09091	1.7
153.53441	1.6
155.10802	4.5
165.22661	1.4
167.10789	2.4
171.10271	100.0
172.10608	5.4
183.10278	6.0
185.11841	25.7
186.12175	2.1
195.10268	1.9
197.11873	3.2
201.11319	5.6
208.05246	1.2
209.15469	3.8
211.13374	2.1
213.11287	9.1
229.19513	3.2
247.20602	2.3
273.18680	9.2
274.18875	1.5
283.70291	1.4
291.19659	33.3
292.20068	4.3
309.17029	6.9
309.20721	34.0
310.21078	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	6,9-Octadecadienedioic acid
Peak:m/z	Relative Intensity
54.47745	1.3
55.01870	1.5
57.03444	2.5
59.01377	3.6
69.03467	1.7
70.08643	1.3
70.10916	5.9
71.05021	30.2
74.14536	1.1
77.10941	1.3
78.51457	1.1
80.42584	1.0
83.05026	1.8
83.79408	1.1
88.73936	1.2
95.05016	2.6
97.06589	10.5
98.20612	1.4
100.51870	1.2
107.04990	2.7
118.90551	1.2
119.08659	3.0
121.10239	9.4
125.09700	8.6
128.05032	1.2
137.08754	2.4
137.09723	33.9
138.10020	1.3
141.12878	2.8
145.32883	1.3
147.08121	1.4
171.10272	92.1
172.10620	5.0
181.12341	2.3
185.11807	15.8
188.23602	1.3
197.11848	3.3
207.13847	3.4
209.11800	1.7
219.13914	4.2
233.09714	5.5
233.15550	3.0
235.17073	3.5
237.14952	4.6
247.20723	2.1
251.16498	31.2
252.16832	3.4
273.18518	2.7
277.08490	2.3
291.19659	100.0
292.20047	8.4
309.20718	92.8
310.20932	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	309.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	1.7
63.86418	1.2
67.01884	3.7
68.21288	1.2
71.00303	2.5
71.00642	1.4
87.04946	1.2
87.36259	1.3
89.94218	1.3
97.02943	3.6
101.70426	1.5
111.08170	2.0
121.10248	11.3
125.09707	7.3
137.09708	5.5
171.10268	11.6
185.11823	10.7
195.13882	1.8
197.11826	2.6
211.13399	61.9
212.13736	4.0
277.67084	1.1
286.80832	1.5
291.19656	100.0
292.20056	10.7
309.17471	1.3
309.20667	7.5
310.21014	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.207
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46331	1.4
57.03443	2.0
59.01383	8.3
69.03453	3.0
71.50945	2.0
71.51299	2.3
80.88171	1.9
83.05017	2.4
97.02987	2.0
107.08667	2.4
108.05846	2.0
109.05159	1.9
115.05541	2.0
119.08646	13.0
121.10242	1.7
123.17446	1.5
123.25961	1.9
125.09720	10.6
127.11272	3.6
131.05055	2.0
135.08179	2.0
137.09715	30.8
138.10010	2.1
147.04509	4.1
149.93462	1.6
151.11339	2.6
155.10762	3.8
165.16940	2.0
167.10747	4.1
171.10260	100.0
172.10591	3.5
183.10207	6.5
185.11804	31.3
195.10164	2.4
201.11322	8.1
205.10234	2.4
213.11272	9.7
233.09673	7.4
273.18530	7.2
291.19659	23.6
292.19897	2.4
309.11139	2.1
309.20700	25.5
310.21222	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	309.207
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26612	0.9
57.03438	1.2
57.59271	1.0
58.00588	1.5
59.01374	1.4
66.64874	1.0
69.03447	1.3
71.30896	2.3
72.69438	1.1
73.02982	1.4
73.23292	1.1
75.61449	1.2
83.05018	1.5
96.99315	10.2
111.08161	35.7
115.05553	9.2
117.03488	1.5
121.02905	1.6
127.07594	2.1
131.05013	1.6
137.09740	1.5
151.07678	2.5
152.08423	3.4
153.12912	2.2
169.12332	9.0
171.10281	6.6
181.12296	1.4
185.11629	1.3
197.11824	100.0
198.12239	6.1
199.13385	4.6
205.10245	4.9
209.15498	6.4
211.13377	10.4
233.09694	38.2
234.10040	2.5
251.16377	1.7
252.09999	1.5
263.20154	4.6
265.17978	3.5
273.18564	2.4
277.08719	15.1
278.09122	1.3
291.19662	23.5
292.19934	2.6
295.09631	2.3
309.11288	1.3
309.16989	4.3
309.20648	36.0
310.20932	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	309.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
55.45581	1.0
59.01366	2.0
69.03454	3.0
71.38729	1.9
71.39089	1.0
74.06176	1.2
77.60902	1.0
95.01379	3.3
97.02950	13.8
99.00870	7.3
102.89308	1.0
119.08676	6.5
123.00916	2.1
125.09715	4.1
127.11251	1.1
137.09724	13.8
138.85193	1.0
151.04019	21.1
151.07643	34.5
152.08432	44.0
153.08859	1.8
155.10736	1.4
162.10481	1.1
165.12811	1.5
167.10788	1.4
167.52808	1.1
171.10271	28.8
172.10587	1.6
175.07675	2.3
183.10168	1.1
184.07449	5.4
185.11841	7.5
190.09993	3.0
193.08643	3.0
195.13910	1.2
201.11333	3.4
208.11055	4.9
209.15468	62.5
210.15800	4.2
213.11365	2.7
239.12906	1.3
247.17029	3.4
247.20605	1.5
252.10028	11.9
265.18054	11.1
266.18405	1.0
273.18524	3.7
291.16037	4.9
291.19653	24.6
292.16608	1.3
292.19916	3.0
309.17044	100.0
309.20682	40.0
310.17413	10.5
310.21072	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	309.1742
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	1.0
66.42667	0.3
69.89143	0.9
69.89546	0.5
79.95738	9.4
79.96202	0.5
80.40137	0.3
80.96544	1.0
87.44280	0.3
91.68105	0.3
94.98082	0.8
95.95246	2.0
96.96013	89.3
99.00877	0.3
102.80006	0.3
122.97579	3.3
138.97107	0.4
149.15942	0.3
151.04001	0.4
151.07689	1.1
152.08421	0.7
153.59581	0.3
165.02037	0.3
165.05324	0.3
179.44592	0.3
197.11800	0.3
209.15480	1.1
288.06741	0.3
309.17404	100.0
310.17728	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	309.0769
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	39.9
61.98834	10.0
65.56161	4.4
71.01388	15.2
71.05041	11.4
71.09382	8.5
72.99288	9.2
85.02946	7.2
97.06548	6.4
101.02455	6.0
105.01960	11.6
107.08654	5.9
115.05517	8.0
120.17709	5.2
121.10257	8.7
124.09985	5.1
125.09681	7.2
126.34059	4.8
130.04169	10.1
137.09721	15.2
151.07646	5.5
161.04550	7.3
171.10294	45.0
175.00366	5.9
183.10257	20.8
185.11794	8.7
237.09128	25.8
239.16451	9.6
251.16484	20.8
257.59579	5.0
265.18015	11.9
273.18546	7.9
291.19647	58.9
309.17151	21.9
309.20715	100.0
310.20685	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	309.1191
Annotation	Abealpha1-3Manalpha
Peak:m/z	Relative Intensity
51.26503	0.9
52.85539	0.8
55.01880	1.1
57.03453	1.6
58.00575	3.0
59.01381	83.3
60.01712	0.8
67.29202	0.8
69.49361	2.0
69.49770	3.8
71.01383	41.1
71.01778	1.9
71.05022	1.4
72.99300	4.1
73.02940	3.6
83.01382	3.2
85.02950	10.5
87.00869	3.2
89.02444	42.3
95.01390	3.2
99.00879	1.2
101.02442	29.3
101.06072	1.0
105.01958	2.1
113.02459	17.0
117.05586	1.7
119.03506	18.8
123.69337	0.9
129.05577	1.8
143.03519	2.1
143.38847	1.0
147.06654	6.6
161.04535	3.2
179.05594	2.0
218.50261	0.9
297.65991	0.9
309.11890	100.0
310.12326	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	307.1915
Annotation	14,15,-Bisnor-8(17)-labdene-16,19-dioic acid
Peak:m/z	Relative Intensity
57.03431	9.5
59.01374	31.6
61.98811	4.6
69.95090	6.1
69.95510	13.8
71.01379	25.6
72.99316	6.2
73.02943	10.3
83.04998	6.2
85.02930	9.4
87.00845	4.7
89.02438	6.0
96.96007	9.4
97.06597	14.9
101.02446	10.3
109.06524	5.0
111.08131	5.4
113.02448	4.7
135.04488	8.6
149.09671	3.8
151.11227	15.4
155.10754	14.8
161.04556	11.5
165.12807	14.6
179.03444	5.5
179.10764	9.4
181.12329	21.8
185.20201	3.9
191.10681	6.5
191.14403	6.9
209.11807	37.3
235.10899	4.5
245.19106	32.0
263.20117	12.0
277.56900	3.9
279.19702	5.9
289.18036	51.7
290.18475	7.9
307.10345	16.4
307.15781	9.5
307.19110	100.0
307.22491	8.0
308.19421	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	307.2281
Annotation	Palmityl Trifluoromethyl Ketone
Peak:m/z	Relative Intensity
58.12220	0.3
59.01378	0.7
68.92627	0.3
70.09952	1.1
71.01389	0.7
74.37965	0.3
77.64726	0.3
82.70725	0.3
87.00833	0.3
96.95980	0.7
98.25018	0.3
101.02426	0.4
135.04543	0.4
161.04520	0.4
220.76411	0.3
233.74944	0.3
266.06393	0.4
306.59885	0.4
307.22772	100.0
308.23129	11.0
308.26086	0.3
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	Corchorifatty acid B
Peak:m/z	Relative Intensity
57.03438	4.7
59.01369	25.7
61.98822	3.5
65.03966	62.4
65.93128	3.0
69.03424	4.9
69.92416	14.6
71.01382	23.2
71.05019	44.6
73.02921	4.4
83.05025	14.3
85.02949	6.7
87.00874	5.0
89.02460	3.5
90.69781	3.2
93.03461	9.1
97.06583	76.3
101.02440	10.4
107.08673	3.3
117.07101	8.7
119.08685	23.5
120.05834	3.5
121.06591	100.0
123.08170	4.0
125.09728	45.2
135.08156	43.3
137.09709	7.3
161.04555	18.2
171.10281	30.9
185.11819	83.8
186.12048	6.3
209.11777	31.0
211.13411	35.2
212.13661	3.9
224.18123	3.3
227.89766	3.5
231.13872	3.8
233.15436	6.6
235.13388	97.6
236.13831	5.5
245.18964	4.1
249.14948	13.2
271.16995	3.7
279.19574	4.3
286.37796	3.3
289.15082	5.2
289.18097	67.2
290.18570	6.2
307.10147	17.5
307.19119	45.4
308.19327	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	307.1916
Annotation	Soraphen O
Peak:m/z	Relative Intensity
59.01388	4.6
61.98833	1.4
69.03458	1.2
69.47059	4.7
71.01380	2.9
71.05027	6.6
73.02950	1.4
80.02679	1.4
81.03461	2.3
83.05015	1.1
85.02962	1.4
87.00897	0.8
92.49659	0.7
95.01405	0.7
95.05029	1.7
96.96021	1.4
97.06579	1.4
98.03713	1.5
101.02444	0.8
106.04224	0.8
107.05018	0.7
109.02966	0.8
109.05892	1.2
109.06596	15.0
110.06949	0.9
111.04541	6.9
111.08173	1.7
113.02427	0.8
123.08164	1.7
125.09702	0.7
127.07657	3.5
135.04504	1.2
135.08151	0.9
137.09731	1.2
143.10768	1.6
145.06552	1.9
149.09700	1.5
151.11275	0.8
161.04558	2.5
167.10771	2.6
174.40771	0.6
177.12735	0.7
190.09810	0.9
191.14445	1.2
195.13904	4.1
235.13435	2.4
245.19148	6.3
246.19398	0.8
261.18634	0.8
263.16257	0.7
271.17010	1.8
287.16458	2.2
289.18091	100.0
290.18472	9.2
307.10257	2.4
307.15710	1.3
307.19150	14.3
308.19510	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04015	2.8
57.03442	6.8
58.81510	3.1
59.01377	20.5
61.98827	6.6
69.03423	5.8
71.01377	23.5
71.54655	4.6
73.02939	7.5
75.49738	3.3
79.05437	2.6
80.02684	7.0
81.03449	4.9
83.01397	4.0
83.05038	3.6
85.02945	6.8
87.00875	4.6
88.56219	2.9
89.02462	4.3
93.07080	4.6
95.05022	3.6
97.02928	4.1
97.06593	6.8
98.07630	3.3
101.02428	5.4
102.27325	2.8
106.04231	3.3
111.08187	6.0
113.02475	2.8
121.06599	24.9
123.04510	4.7
123.08149	6.6
125.09721	23.2
135.04512	5.1
135.08163	15.4
137.09711	9.6
141.12772	2.8
151.11281	8.6
153.09248	9.4
155.10730	4.5
161.04591	20.0
163.11264	8.8
165.12810	9.8
167.10764	3.5
171.10291	48.3
179.03415	4.4
179.10841	3.6
181.12350	10.5
182.98479	2.8
185.10219	5.1
185.11826	76.8
185.13464	5.1
186.12086	3.9
191.10764	4.3
191.14391	13.4
207.10274	6.6
209.11865	23.8
211.13368	4.5
212.10509	7.4
222.93234	3.0
225.11281	5.3
245.19121	39.5
261.18552	5.9
263.20187	10.5
271.17017	5.3
279.19675	8.6
289.18085	100.0
290.18338	5.7
307.10474	21.8
307.15662	6.0
307.19138	86.6
308.19620	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	307.1915
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
50.28515	1.9
57.03445	7.1
59.01374	7.3
64.22960	2.1
71.01374	7.5
71.50478	3.4
72.09864	1.9
80.02645	2.0
83.05040	2.8
84.02178	2.7
93.07081	6.9
95.05048	3.1
97.06590	7.1
101.02387	2.9
103.47841	2.1
106.04266	4.2
106.71241	2.0
107.08657	3.8
111.08178	3.8
118.65609	2.0
121.06600	30.1
123.08134	2.8
125.09729	27.4
127.11299	3.1
131.71660	2.0
135.08144	18.9
137.09714	7.6
139.11269	2.0
149.09760	2.8
151.07599	2.0
151.11284	8.6
153.09189	21.1
155.10770	8.0
161.04552	3.5
163.11256	3.2
165.12868	12.5
167.10861	4.0
169.12279	1.9
171.10271	74.7
172.10544	4.5
173.65364	2.1
177.09213	3.1
179.10754	3.8
181.12314	11.5
185.11829	100.0
186.12234	5.9
191.10741	4.1
191.14378	2.7
209.11830	21.4
211.13445	4.9
212.10513	8.4
245.19057	22.0
246.19269	2.2
261.18628	9.2
263.20233	12.7
271.17038	2.0
279.19702	12.4
289.18066	27.7
290.18393	2.5
307.10373	2.4
307.19159	59.0
308.19406	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	307.1223
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17459	0.2
59.01365	0.4
59.96714	0.4
60.97482	0.3
62.55984	0.2
63.25539	0.2
70.08728	0.2
74.99075	7.7
75.96213	0.4
82.72786	0.2
91.02206	2.9
93.00132	1.6
103.82147	0.2
143.05370	0.4
149.00935	2.7
153.87418	0.2
159.08466	7.2
160.08565	0.3
161.04591	0.4
161.06384	1.4
192.98088	0.7
206.99725	1.4
209.01271	2.7
217.07169	1.0
223.02827	50.8
224.02901	4.6
241.03931	0.5
243.73053	0.3
275.05893	0.8
289.07474	1.9
290.07504	0.2
291.09091	100.0
292.09201	12.8
307.12311	2.4
308.12326	0.4
309.10208	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1223
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01350	0.4
59.58042	0.4
68.75956	0.4
69.46124	0.8
69.46528	2.7
70.69013	0.5
74.99072	6.2
74.99465	0.6
75.76045	0.5
79.49618	0.4
80.55119	0.4
84.77380	0.4
86.78449	0.5
91.02188	2.6
93.00131	1.6
96.23587	0.4
98.19832	0.7
126.77322	0.4
143.05336	0.7
149.00938	2.8
159.08459	7.0
161.04590	0.5
161.06403	1.6
177.53091	0.4
192.98120	0.5
206.99684	1.4
209.01299	2.9
216.78436	0.4
217.07199	1.2
223.02832	47.6
224.02872	4.3
225.00310	0.4
278.96988	0.5
289.07678	1.9
291.09097	100.0
292.09195	11.9
307.12250	2.5
307.19089	0.5
309.10223	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1399
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57667	0.2
57.03430	0.6
58.02955	0.3
59.01379	3.7
65.56356	0.2
69.64671	0.8
69.65079	0.6
71.01382	2.1
72.99275	0.4
73.02943	3.7
74.02425	0.3
74.99078	0.3
75.00822	0.3
85.02911	1.0
87.00867	0.6
89.02444	1.7
97.06547	0.4
98.19865	0.3
99.04512	0.3
99.08118	0.9
101.02418	0.7
102.98559	0.6
110.93156	0.3
113.02422	0.5
113.09019	0.3
113.09730	4.6
115.07641	0.5
117.01901	0.6
119.03477	0.5
120.99676	1.9
127.07596	0.8
128.03494	0.7
129.03859	0.4
129.09192	0.7
141.09224	3.2
143.03589	0.4
143.04532	1.1
143.10748	0.8
143.75632	0.2
144.04977	0.4
144.89276	0.3
156.97490	0.2
157.08667	0.9
161.04532	0.4
169.08684	1.7
171.10223	2.0
171.68484	0.2
187.09772	0.2
189.11313	100.0
190.11658	4.6
219.10497	0.6
248.09195	0.3
273.09052	0.4
305.00247	0.2
307.08704	1.6
307.14041	11.0
308.14462	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1243
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15602	1.4
55.01865	5.5
57.03455	7.0
57.94494	1.3
58.00604	2.7
59.01383	80.4
60.01696	1.6
60.89973	1.4
68.99812	5.7
69.03448	5.8
71.01384	77.0
71.05016	2.0
71.28390	1.5
71.55118	2.0
72.99309	19.7
73.01176	1.6
73.02946	22.0
74.99077	2.9
75.00876	6.3
81.03477	2.9
81.07104	9.8
83.01389	16.3
83.05022	3.7
85.02960	22.2
87.00877	72.1
88.04031	20.9
89.02448	55.5
95.01379	5.7
97.02943	4.1
99.00890	22.4
101.02448	35.4
101.06051	1.8
102.98592	4.3
109.02938	4.5
111.00295	1.4
111.00897	17.5
113.02464	25.3
115.00375	17.0
116.05032	1.8
117.01947	20.1
119.03510	20.4
119.05010	2.1
120.99633	4.3
122.06078	1.8
123.00941	1.8
125.02438	20.3
125.06089	6.6
125.09731	3.7
127.00381	100.0
128.00725	3.0
128.03603	1.7
128.05074	1.9
129.01950	18.8
129.33354	1.6
131.03545	3.6
131.05336	1.9
132.03052	11.4
132.04535	2.2
135.98361	3.7
137.02432	6.8
138.04617	1.9
138.05597	8.3
139.00343	3.0
139.03983	3.0
141.01909	8.1
143.03500	2.1
143.07120	6.4
144.04520	12.6
145.01422	2.0
146.06122	18.6
147.02966	3.6
147.06520	1.6
149.04512	2.1
153.01897	4.2
154.05083	4.2
154.99835	4.7
157.01440	35.4
161.02507	2.1
161.04514	2.4
163.49599	1.5
164.01123	1.9
165.01917	2.8
167.03503	4.0
169.01436	11.3
171.05576	2.5
172.04071	4.0
175.02513	10.8
175.07924	5.0
179.03398	2.4
179.05614	2.1
181.01436	3.7
187.06131	2.1
187.09756	14.5
189.06718	18.8
190.05086	5.6
190.06859	1.7
199.02502	19.8
203.03468	1.6
211.66788	1.4
218.11839	1.6
219.06447	3.0
225.04015	3.3
229.03496	17.6
233.09200	2.3
245.13959	2.7
247.98228	1.6
257.03009	2.2
261.08887	7.6
261.12784	2.0
263.15027	3.6
287.04083	4.2
305.07385	17.7
305.12198	38.9
305.16010	8.1
306.07642	1.7
306.12668	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1242
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.7
57.03446	0.8
59.01366	0.6
69.48083	1.0
69.48488	2.2
71.01394	1.6
72.99310	1.5
73.02950	1.4
75.00861	0.5
82.02039	0.4
83.05026	0.5
85.02950	0.8
87.00871	3.4
87.04520	1.3
89.02415	0.6
95.05022	0.7
95.99442	0.5
96.15785	0.5
97.06597	2.7
99.00861	0.8
109.95536	0.4
111.00896	1.0
115.00378	0.7
116.11545	0.4
117.01952	2.0
118.07663	0.4
119.04954	0.6
123.08163	14.4
124.08468	0.9
125.09726	44.7
126.10083	2.5
127.00372	4.0
129.01984	0.8
139.00331	0.6
139.07664	1.4
141.01959	0.5
143.10768	4.0
147.04482	2.1
157.01428	2.3
169.01497	0.6
169.08682	6.0
175.02519	0.6
187.09763	100.0
188.10083	5.0
199.02492	1.1
262.99841	0.5
273.75330	0.5
305.12421	16.2
306.12787	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.2485
Annotation	5(Z),8(Z),14(Z)-Eicosatrienoic Acid
Peak:m/z	Relative Intensity
56.34145	0.8
59.01372	1.4
68.99825	1.1
69.45650	5.6
71.01366	3.1
87.00875	2.4
98.27043	0.9
99.00816	1.0
122.32340	0.9
127.00378	6.1
157.01454	2.3
195.18677	1.0
229.03522	1.2
305.24847	100.0
306.25168	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	306.9757
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17279	0.2
59.01376	0.3
61.98830	100.0
69.71602	0.2
69.78570	1.2
71.20397	0.2
81.70861	0.2
82.76410	0.2
93.29791	0.2
96.23356	0.2
121.02928	0.3
161.98969	1.1
162.98518	0.6
163.98677	0.5
164.96388	65.5
165.96478	4.0
206.97441	25.7
207.97517	1.8
215.31476	0.2
264.96564	0.4
306.97534	18.5
307.97623	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1241
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	2.2
56.59649	0.9
57.03448	7.8
59.01380	27.1
60.30561	0.8
63.96231	1.0
66.76191	0.9
66.91582	0.9
68.99811	3.3
69.03441	3.3
69.22454	9.9
71.01379	23.2
71.05002	1.2
72.99310	7.7
73.02942	6.7
74.37486	1.1
74.99113	1.1
75.00864	2.2
81.03462	3.5
81.07095	2.3
82.02982	5.2
83.01390	8.2
83.05013	1.5
85.02962	7.2
87.00874	21.1
87.04527	1.1
87.67343	0.9
88.04040	4.3
89.02441	10.5
93.03448	2.4
94.02979	1.7
95.01385	3.5
95.05026	2.6
96.04575	5.0
97.02930	5.8
97.06605	1.2
99.00869	6.3
101.02434	12.2
102.98594	1.5
109.02945	11.1
111.00875	4.5
111.04510	4.4
113.02434	7.0
113.06081	1.5
115.00364	4.4
117.01941	6.5
119.03477	6.1
120.99658	1.4
121.02964	2.7
122.03750	5.2
122.06124	1.5
123.00867	4.6
124.01665	4.2
125.02446	71.3
125.06046	1.9
126.02772	3.2
127.00368	32.2
129.01929	6.1
131.03606	1.1
133.06543	1.0
135.04471	1.8
135.98349	4.4
137.02441	21.6
138.05606	100.0
139.00346	1.0
139.04012	14.4
139.05928	4.0
141.01949	2.3
143.03532	1.1
143.07104	1.8
144.04544	2.1
146.06113	3.7
149.02495	1.4
149.06068	1.7
151.03992	2.7
157.01434	10.2
161.02422	1.9
161.04625	1.1
162.03108	1.1
164.01169	4.6
165.01923	14.9
167.03473	16.1
168.03828	1.3
169.01396	3.8
172.50812	1.1
175.02461	4.3
175.04123	3.1
176.04796	1.2
177.05560	2.8
179.03493	15.9
181.01421	2.2
187.09721	2.4
188.06972	1.1
189.06738	1.5
191.07126	2.1
199.02502	6.3
201.11412	1.5
203.03519	3.3
204.04248	2.8
212.65720	1.2
218.07121	1.0
218.11867	1.8
219.06558	9.9
219.12285	6.3
220.07047	1.2
221.04489	5.8
229.03622	6.6
233.09229	3.4
261.08322	3.4
261.12299	8.4
287.10382	1.1
305.06638	41.3
305.11691	18.1
305.15994	2.8
306.06915	4.0
306.11960	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0665
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98127	1.3
55.01877	2.5
57.03448	3.2
59.01386	8.0
65.04166	1.0
67.75319	1.2
68.99818	9.8
71.01382	16.1
71.55515	2.0
72.99310	28.6
73.02940	7.9
75.00839	1.2
83.01379	10.2
85.02940	8.3
87.00872	39.8
95.01376	3.2
97.02905	1.3
99.00902	6.7
101.02473	6.0
103.05522	7.0
104.51904	1.3
111.00879	21.7
113.02442	4.5
115.00375	23.5
115.70069	1.4
117.01971	6.0
119.05042	1.9
123.07981	1.5
125.02424	2.7
127.00368	22.3
129.01910	9.6
139.00368	28.8
141.01924	1.9
147.04517	100.0
148.04831	4.3
157.01413	79.2
158.01759	3.1
167.88861	1.3
169.01323	2.2
175.02419	2.1
177.58040	1.1
196.32054	1.2
199.02483	4.0
229.03487	2.6
305.06949	7.0
305.14044	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1143
Annotation	Brachystemidine B
Peak:m/z	Relative Intensity
55.01876	0.3
56.82749	0.3
59.01381	0.7
59.67690	0.3
65.31606	0.3
65.99852	0.5
66.03498	0.3
68.99825	0.4
69.03445	0.4
69.35194	2.4
71.01401	0.5
72.16561	0.3
73.02969	0.4
82.02982	3.8
87.00864	0.6
92.05075	0.8
94.03030	1.4
95.05011	0.3
96.04564	4.8
97.02993	0.3
98.20624	0.4
120.04539	1.0
120.99653	2.3
122.02457	0.4
122.03747	4.4
122.06117	2.0
123.04029	0.4
127.00372	1.4
136.04018	1.3
138.05608	100.0
139.05954	4.0
150.05588	0.4
157.01410	0.4
161.04829	0.6
169.01430	0.3
174.05626	0.7
175.07957	0.6
181.01505	0.3
188.07147	1.1
190.08665	0.7
191.08136	0.4
194.50912	0.3
202.08788	0.8
216.10301	0.5
217.06161	0.4
218.06923	2.0
218.11758	1.8
233.09311	4.7
234.09651	0.4
244.09654	0.9
245.09290	0.6
261.12427	9.5
262.12827	0.7
262.73468	0.3
271.08331	0.3
287.10400	1.1
305.11407	13.6
306.11694	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0666
Annotation	(+)-Gallocatechin
Peak:m/z	Relative Intensity
57.03452	8.6
58.73306	0.7
59.01369	2.7
62.03656	0.8
69.03468	1.3
69.73965	3.9
71.01379	4.4
72.12476	0.8
72.99311	2.4
73.02956	0.8
81.03455	4.5
81.67018	0.7
83.01376	5.7
85.02950	1.6
87.00872	6.6
89.02439	1.2
89.19000	0.8
93.03453	2.9
94.42341	0.8
95.01401	2.2
95.05034	2.9
97.02969	4.8
99.00886	2.2
101.02445	1.6
105.37181	0.8
107.05019	1.1
109.02948	15.5
111.00869	1.6
111.04527	5.5
113.02483	1.4
115.00411	1.3
117.01939	2.8
119.26825	0.7
120.99616	0.9
121.02942	2.8
123.00887	6.4
123.04517	2.3
124.01678	4.9
125.02446	100.0
126.02782	3.3
127.00392	9.5
129.01938	1.5
131.04971	0.9
135.04520	2.6
137.02441	30.2
138.03223	1.8
138.05539	1.1
139.04010	21.9
140.04353	0.9
147.04527	1.5
149.06046	2.0
151.04002	2.8
157.01384	3.1
159.04558	2.0
161.02377	3.7
162.03174	1.2
163.07645	0.8
164.01123	6.5
165.01929	21.5
166.02495	1.3
167.03490	21.5
167.04919	1.0
169.01462	0.8
173.06046	1.2
175.02525	1.7
175.04002	3.1
175.07660	1.6
176.04803	1.0
177.01901	1.7
177.04274	0.7
177.05580	3.2
178.02678	0.9
179.03491	21.8
180.03873	0.9
181.05106	1.6
191.07159	1.8
199.02443	1.9
199.07664	0.8
201.05644	1.1
203.03448	3.8
204.04257	3.4
219.06610	14.1
221.04541	7.8
222.04906	1.1
229.03467	1.4
237.07672	0.8
243.06511	1.2
261.07605	5.8
263.05640	1.0
287.05560	1.1
294.77979	0.8
305.06647	54.8
306.06985	4.8
308.28070	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0666
Annotation	(+)-Gallocatechin
Peak:m/z	Relative Intensity
57.03452	7.5
58.23500	0.6
59.01394	0.7
66.58010	0.6
69.03468	1.4
69.81707	2.4
69.82118	1.0
71.01382	1.1
77.03987	0.8
81.03448	4.2
81.73488	0.7
83.01392	3.2
86.81209	0.7
87.00897	1.0
93.03469	2.2
95.01398	2.4
95.05023	3.6
97.02948	5.1
107.05024	1.0
108.04742	0.6
109.02953	12.3
111.04523	6.3
121.02960	2.8
123.00874	7.2
123.04504	1.7
124.01675	5.9
125.02448	100.0
126.02773	2.0
127.00420	0.9
129.76601	0.7
135.04550	1.7
137.02448	29.8
138.03140	2.0
139.04018	21.6
146.65709	0.6
147.04562	1.6
149.02385	1.8
149.06078	2.5
151.04030	2.4
159.04523	2.3
161.02443	2.3
164.01137	7.0
165.01932	21.3
166.02536	0.9
167.03500	22.0
168.03882	1.1
173.06041	1.5
175.03993	2.2
176.04707	1.0
177.01939	2.3
177.05602	5.5
178.02748	0.7
179.03503	19.7
191.07120	2.6
201.05695	1.6
203.03549	3.3
204.04164	3.0
218.05861	0.8
219.06602	16.6
220.06941	0.8
221.04543	8.3
227.03519	0.7
237.07603	1.4
243.06667	0.9
261.07666	7.4
287.05652	1.0
305.06665	61.8
306.07043	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0667
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36764	0.9
55.01870	3.3
57.03438	4.0
59.01382	11.2
62.57629	0.9
67.01888	1.4
68.99818	9.6
69.30979	1.7
69.31385	7.0
71.01379	15.1
72.99311	32.5
73.02948	8.0
83.01389	10.6
85.02950	9.7
87.00879	40.0
89.02428	1.3
95.01387	3.1
96.99287	1.6
99.00873	5.6
101.02454	8.4
103.05526	7.5
108.96358	1.0
111.00884	21.5
113.02446	5.6
115.00375	26.3
117.01980	5.8
119.05018	1.9
125.02444	2.7
126.89739	0.9
127.00377	16.5
129.01936	7.8
139.00389	29.0
139.09425	1.0
140.00673	1.3
147.04523	100.0
148.04837	3.0
157.01425	72.1
158.01738	3.3
161.06064	1.3
169.01431	2.4
175.02411	2.0
199.02437	2.4
229.03609	3.3
245.04442	1.2
305.06946	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	305.0515
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	4.5
57.03446	1.7
59.01379	7.9
59.13426	0.6
59.63538	0.5
66.30341	0.6
67.01894	1.5
68.99814	7.6
69.03453	3.4
70.07168	2.2
71.01382	27.3
72.99304	8.4
73.02948	5.1
75.00877	2.5
79.01844	0.8
80.19799	0.6
81.03452	1.0
83.01386	8.2
85.02950	9.5
87.00874	49.0
88.01202	0.8
89.02447	4.9
93.62517	0.6
95.01378	2.8
96.99294	1.2
97.02928	4.0
97.26758	0.5
98.19964	0.8
99.00879	15.4
100.98824	1.0
101.02441	7.3
109.02965	1.9
111.00874	12.6
111.02006	0.8
113.02442	6.5
114.65903	0.5
115.00365	3.8
117.01952	2.8
118.87345	0.6
123.00880	1.9
123.90172	0.7
125.02442	3.9
125.99597	1.1
127.00376	100.0
128.00740	2.8
129.01938	15.9
129.02841	1.0
131.03499	1.2
132.73032	0.6
137.02419	1.1
137.18985	0.6
139.00375	2.7
141.01933	7.3
141.91223	0.8
145.01442	1.8
147.03008	2.3
149.04482	0.9
151.00397	0.7
153.01938	2.7
154.74615	0.6
154.99867	2.2
157.01410	26.5
158.01819	0.8
159.02997	2.1
169.01411	12.7
170.01738	0.8
171.02994	0.8
175.02464	4.6
179.05602	1.3
181.01442	4.0
181.41553	0.7
199.02461	20.5
215.02113	1.0
221.57292	0.6
229.03520	22.4
230.03940	0.8
257.03143	2.5
269.96039	2.2
287.04077	7.4
288.04321	0.7
295.78027	0.6
305.05084	5.9
305.08356	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
56.19199	1.1
57.22026	1.1
58.02975	41.6
70.07294	5.0
98.20032	1.6
136.27658	1.3
153.25305	1.1
168.13931	100.0
169.14240	5.6
212.12842	3.4
326.39911	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0514
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	4.9
57.03437	4.9
59.01383	12.9
62.51910	1.2
68.99861	6.5
69.03460	2.6
71.01384	36.1
71.16276	2.8
72.01718	1.4
72.99310	16.9
73.02950	9.2
73.03287	1.4
75.00864	4.3
81.03453	1.6
83.01382	13.1
85.02943	11.6
87.00874	60.6
89.02448	7.3
95.01389	4.6
96.99301	1.7
97.02944	4.5
99.00883	22.2
99.04530	1.5
101.02469	9.3
103.00401	2.1
109.02943	3.7
111.00149	2.3
111.00877	25.6
111.04507	2.1
112.98600	2.2
113.02455	9.3
115.00374	7.4
117.01937	10.0
122.61749	1.5
123.00892	4.5
124.01702	1.9
125.02441	26.4
127.00376	100.0
128.00690	3.7
129.01938	19.1
137.02425	7.4
138.05641	1.9
139.00354	4.3
139.04002	5.1
141.01924	7.3
145.01479	1.9
147.02969	3.2
149.04451	1.7
153.01915	3.5
154.99870	5.3
157.01416	30.3
159.02933	2.3
164.01154	1.9
165.01888	4.9
167.03461	5.3
169.01404	10.7
175.02513	7.8
179.03444	4.1
181.01399	3.1
199.02483	17.8
203.18564	1.3
219.06641	3.1
221.04436	1.4
229.03510	17.9
287.04010	6.0
298.30649	1.5
305.06662	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	305.0515
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92459	1.4
55.01883	5.1
57.03447	4.3
59.01384	15.8
61.30688	1.6
67.01904	1.7
68.99803	7.8
69.03449	2.4
70.68326	2.7
71.01387	41.3
72.99313	24.6
73.02937	7.8
75.00883	4.9
77.89969	1.4
81.03461	3.2
83.01387	13.2
85.02945	16.2
87.00879	67.4
89.02449	10.0
95.01422	2.3
97.02956	5.7
99.00877	23.7
99.04572	1.7
101.02436	12.1
103.00338	1.6
106.88573	1.7
109.02968	3.0
111.00881	32.0
111.01655	1.7
111.04522	1.9
113.02482	8.7
115.00384	10.0
117.01942	15.0
119.75127	1.4
123.00863	2.8
125.02428	16.4
127.00377	100.0
128.00702	4.2
129.01947	18.3
131.03539	1.6
137.02432	5.2
139.00400	6.1
139.02966	1.6
139.04028	4.2
141.01918	6.2
143.03473	1.8
145.01437	3.0
147.02988	4.6
147.14996	1.7
153.01942	3.6
154.99831	3.6
157.01427	33.3
159.02962	1.6
165.01968	3.5
167.03477	2.2
169.01379	7.3
175.02538	10.1
179.03537	2.7
181.01265	1.7
187.19479	1.5
199.02475	19.0
203.73596	1.5
219.06720	2.8
221.04526	2.4
229.03552	14.2
257.03214	1.8
287.04175	3.4
305.06644	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	301.202
Annotation	Koninginin G
Peak:m/z	Relative Intensity
57.03440	2.8
59.01373	2.1
59.07505	0.7
60.39083	0.8
60.74314	0.8
63.02384	1.1
65.00324	2.6
65.47861	0.9
71.55802	1.2
83.01385	2.1
83.05036	1.4
91.45668	0.8
93.03454	2.3
107.01373	3.2
111.08151	8.7
115.63670	0.8
121.02911	2.0
123.00867	2.7
124.01675	1.4
125.02435	0.9
127.11267	1.7
138.03227	2.4
138.05621	0.9
139.00386	1.0
139.05933	1.7
141.12837	1.1
142.19475	0.9
145.08607	1.0
151.00345	8.9
173.08174	3.7
178.99840	2.4
187.04190	0.8
206.99292	1.4
211.20670	0.9
221.19086	38.7
222.19405	2.6
237.18669	2.2
239.20140	6.7
245.04520	3.1
257.21140	1.4
265.18073	23.2
266.18518	2.4
271.05997	1.1
273.04031	3.8
283.19141	24.2
284.19485	1.5
300.99826	5.1
301.03467	9.1
301.06610	1.7
301.19910	100.0
302.20300	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	302.0882
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	16.9
69.03486	0.6
70.02974	0.8
70.68692	0.9
70.69029	0.7
71.01384	5.8
75.00869	1.0
78.86291	0.5
83.37115	0.5
83.86424	0.5
84.04542	2.8
94.02985	1.1
97.01688	1.1
110.02441	0.9
112.04051	35.0
113.04386	0.8
122.06124	2.8
124.04049	30.5
125.04382	0.7
131.92001	0.5
135.03001	4.4
137.02466	1.1
138.05577	1.4
140.07185	15.4
151.92311	0.5
155.81548	0.5
157.51320	0.6
162.48598	0.6
166.05090	2.6
166.86348	0.5
184.06152	100.0
185.06477	4.2
207.00410	0.5
230.92490	0.5
302.08829	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	304.0012
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	2.8
61.54482	0.2
61.98830	100.0
63.64317	0.2
64.48628	0.2
69.88857	0.9
71.24876	0.2
74.52167	0.2
75.92691	0.2
86.12782	0.2
98.20700	0.4
117.02259	0.2
120.82882	0.2
133.67049	0.2
159.01480	0.5
160.01653	0.8
161.01193	1.2
161.98944	21.1
162.99039	1.3
203.02251	0.5
204.00014	3.9
214.59871	0.2
254.53070	0.2
261.99197	0.3
304.00067	11.8
305.00055	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1081
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67013	0.7
57.03444	0.9
57.22885	0.7
59.01378	100.0
60.01714	0.9
65.00330	1.4
69.93356	2.3
71.01373	0.8
71.19524	0.7
74.38924	0.9
83.01384	1.3
83.05009	0.9
86.55856	0.8
87.38216	0.7
93.03455	7.7
95.01404	0.8
97.06608	0.8
107.01405	2.7
109.02932	1.9
113.02422	0.9
117.03449	1.6
119.05008	5.1
121.02938	1.5
123.00888	1.8
135.04539	0.9
138.03278	0.9
139.68208	0.8
149.06065	6.3
151.00356	6.2
156.05817	1.5
157.06529	1.2
158.69380	0.8
161.06067	1.4
163.00381	0.8
169.06631	4.0
178.99815	1.9
182.07376	12.2
183.08081	3.3
192.97935	0.8
195.08157	3.3
196.08859	1.0
197.09711	83.5
198.10095	6.6
208.73627	1.0
211.11276	11.2
212.11722	1.3
213.12823	16.4
214.13235	1.1
216.60649	0.8
227.10735	5.8
227.12691	1.1
229.05060	1.4
239.10782	1.0
245.04512	2.7
245.11839	5.4
255.02959	0.9
255.06557	1.9
257.11755	11.7
257.17389	1.2
259.15445	1.0
268.07550	1.1
270.08905	1.4
271.06223	1.0
273.04065	3.0
301.03427	7.7
301.10794	26.7
301.16290	6.9
301.21814	13.4
302.11148	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1659
Annotation	Viridamine
Peak:m/z	Relative Intensity
50.77234	0.3
51.87698	0.4
60.97501	0.6
71.44448	0.6
74.99084	1.0
118.18140	0.3
118.96254	0.8
134.99394	5.8
136.97325	1.8
141.07396	0.6
143.05305	2.3
159.08446	1.4
161.06387	4.9
162.06645	0.4
201.04092	1.2
203.05649	3.0
205.03555	1.3
215.05717	0.5
217.07198	82.3
218.07312	5.1
245.51137	0.3
252.73245	0.4
261.06131	0.6
283.11868	0.8
285.13461	34.6
286.13690	3.0
301.16602	100.0
302.16794	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	301.093
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99581	0.4
56.83991	0.4
58.09366	0.4
59.01381	2.6
71.01387	4.2
71.25792	1.1
72.99276	0.5
73.02956	1.7
75.00892	0.5
78.37527	0.4
83.01405	0.5
85.02955	1.9
85.95760	0.4
89.02453	0.8
93.03458	1.4
95.01382	5.4
97.02970	0.5
99.00878	1.1
101.02447	3.2
108.02166	0.6
109.02978	1.1
112.04050	1.8
113.02469	2.5
115.00356	1.2
116.07120	0.5
121.02950	2.8
122.03746	0.6
123.00888	100.0
124.01786	4.7
124.04054	1.7
125.02448	1.1
135.02968	1.2
135.04482	0.5
137.02466	3.7
138.03230	68.4
139.00360	1.4
139.04037	16.1
140.07173	0.8
149.02467	1.8
150.03207	0.8
151.03996	2.0
159.03033	0.6
161.04550	3.6
163.04001	1.2
166.02785	2.1
178.02711	1.4
181.05055	6.8
184.06151	5.6
193.05061	2.9
219.91232	0.6
271.06192	0.7
301.09274	3.5
301.16296	1.0
301.21747	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	301.093
Annotation	Isotachioside
Peak:m/z	Relative Intensity
51.99581	0.4
56.83991	0.4
58.09366	0.4
59.01381	2.6
71.01387	4.2
71.25792	1.1
72.99276	0.5
73.02956	1.7
75.00892	0.5
78.37527	0.4
83.01405	0.5
85.02955	1.9
85.95760	0.4
89.02453	0.8
93.03458	1.4
95.01382	5.4
97.02970	0.5
99.00878	1.1
101.02447	3.2
108.02166	0.6
109.02978	1.1
112.04050	1.8
113.02469	2.5
115.00356	1.2
116.07120	0.5
121.02950	2.8
122.03746	0.6
123.00888	100.0
124.01786	4.7
124.04054	1.7
125.02448	1.1
135.02968	1.2
135.04482	0.5
137.02466	3.7
138.03230	68.4
139.00360	1.4
139.04037	16.1
140.07173	0.8
149.02467	1.8
150.03207	0.8
151.03996	2.0
159.03033	0.6
161.04550	3.6
163.04001	1.2
166.02785	2.1
178.02711	1.4
181.05055	6.8
184.06151	5.6
193.05061	2.9
219.91232	0.6
271.06192	0.7
301.09274	3.5
301.16296	1.0
301.21747	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	301.0929
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	0.8
59.01373	2.4
63.02391	5.3
65.00327	9.7
69.27163	4.9
69.71593	0.5
71.01357	0.7
71.05019	0.7
72.99303	1.0
73.02940	1.2
74.46495	0.6
75.00868	2.3
83.01384	5.8
85.02950	0.8
89.02462	0.8
91.01898	0.8
93.03471	4.5
95.01377	1.0
98.20595	1.1
107.01395	14.5
108.02261	1.2
109.03007	6.2
117.01918	0.7
119.01382	1.7
121.02960	12.6
123.00861	1.3
124.01626	0.7
125.02396	0.8
129.07004	0.6
132.04591	3.5
133.05322	2.1
134.06104	0.7
135.00865	0.9
135.03000	10.6
139.03984	1.0
139.07651	59.4
140.07986	2.5
145.06598	0.8
147.04398	0.9
148.01707	1.5
149.02335	1.4
151.00368	40.0
152.00893	1.8
159.04469	1.2
161.02383	0.9
163.00383	6.5
163.03915	0.8
164.01047	2.0
165.04279	3.0
169.01393	1.3
171.04504	0.6
175.04010	1.1
178.99864	14.5
179.10655	0.6
180.00163	0.9
183.04456	1.2
183.04747	1.2
183.06628	15.8
187.03987	1.9
188.04372	0.8
193.01445	0.7
197.11728	2.0
199.03954	1.5
200.04436	1.0
201.05556	2.1
202.02455	0.7
206.99234	0.8
207.17732	0.7
208.00099	1.0
211.03970	2.0
213.01973	0.8
215.03499	1.2
216.03871	1.0
227.03490	3.2
228.03851	3.6
229.05029	2.3
239.03551	0.9
241.10762	1.0
241.14464	0.9
243.02975	2.5
244.03331	7.1
245.04573	7.2
255.02957	5.0
256.03339	12.2
257.04227	1.5
257.13052	4.7
259.11752	1.0
271.02481	2.8
271.05981	0.9
272.02823	27.5
273.04074	5.8
283.02484	1.9
300.02429	0.7
301.03391	100.0
301.09180	5.6
301.12094	6.2
301.16556	9.0
301.21710	10.4
302.03616	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	301.0717
Annotation	Paepalantine
Peak:m/z	Relative Intensity
57.03438	1.0
59.01384	5.9
63.02385	2.5
65.00321	5.1
67.01881	1.9
69.03453	0.9
71.01377	1.3
71.05016	1.4
71.55341	0.7
71.55738	1.0
73.02937	1.2
75.67931	0.8
83.01387	2.1
93.03444	3.3
95.01366	1.0
99.41747	0.7
101.06071	0.8
107.01397	3.7
108.02155	0.8
109.02956	5.3
110.00099	0.9
111.00866	1.3
111.08102	1.4
117.03441	1.0
119.05086	0.8
121.02953	5.3
123.00902	1.3
125.02421	3.5
131.05019	3.3
133.02893	0.7
135.02986	1.5
137.02449	2.4
139.00349	3.0
139.03992	0.9
139.07660	3.9
141.07063	2.4
143.05003	1.4
147.04520	6.8
149.02370	0.9
151.00380	14.2
153.07092	1.8
154.04234	1.2
155.04951	3.5
157.06554	1.9
159.04532	2.0
161.02405	1.1
161.06084	1.0
163.00323	2.6
165.01949	1.4
167.05061	1.7
168.05862	0.8
169.06584	6.2
169.10155	1.8
170.07332	2.4
171.04504	2.9
172.05344	3.8
173.06122	3.8
173.11708	1.0
174.03223	1.0
175.03998	30.1
175.05525	1.5
176.04544	2.3
177.05519	0.8
178.99855	5.9
179.05066	0.9
180.05803	1.1
181.06551	5.6
182.03712	3.7
182.07169	0.9
183.04498	5.1
183.06590	1.5
185.06070	7.8
186.06888	6.5
187.03963	1.7
187.07680	4.4
187.09154	0.8
188.04784	0.8
189.05560	1.0
195.04510	1.5
196.05278	9.8
197.06085	22.1
197.09679	2.6
198.03203	1.1
198.06824	12.6
199.03975	5.4
199.07191	1.0
199.11378	1.1
200.04799	7.3
201.05557	4.4
203.01617	1.0
203.03491	16.9
204.03967	0.9
205.05025	1.8
207.04500	1.8
209.88911	0.7
211.03979	2.3
211.07991	0.7
211.11293	10.8
212.04893	0.8
213.01985	1.2
213.05556	8.0
213.09070	1.2
214.06345	15.7
215.03494	1.2
215.07076	6.2
217.04962	2.6
223.04083	1.2
224.04742	2.2
225.05556	55.9
226.05928	4.5
227.03490	6.1
227.07138	2.7
228.03951	1.6
229.05106	3.5
229.12325	16.7
230.12579	1.7
231.02919	1.3
232.03673	1.2
240.04109	1.4
241.05070	6.6
241.14476	1.5
242.05852	21.9
243.02821	0.7
243.05989	1.2
243.85817	0.8
244.03377	1.4
245.04517	16.7
246.05206	2.6
255.02898	2.3
255.06706	0.8
256.03348	3.2
257.08176	100.0
257.20966	0.9
258.05835	1.4
258.08505	8.2
259.06125	5.2
259.15445	2.0
271.02490	1.4
272.02869	6.5
273.04071	5.4
283.02316	1.3
286.04828	4.9
286.07642	0.9
301.03442	35.8
301.07150	98.2
301.21951	9.4
302.03894	1.7
302.07434	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	301.0355
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82452	0.3
54.20816	0.3
60.02000	0.3
61.19841	0.3
63.02397	10.3
65.00326	18.6
67.01867	0.3
69.44779	2.0
74.61726	0.3
75.93222	0.3
83.01385	11.0
92.46906	0.3
93.03461	5.4
95.01398	1.0
103.40969	0.3
107.01394	30.2
107.87871	0.3
108.01659	0.3
108.99306	0.5
109.02969	3.1
111.00883	0.4
120.02190	0.3
121.02959	23.9
122.03268	0.6
123.00847	0.6
124.01690	0.6
125.02464	1.0
133.37178	0.4
135.00899	0.4
136.07689	0.5
137.02463	0.5
138.03189	0.3
139.04028	2.5
145.02994	0.3
147.04430	0.4
148.01648	0.4
149.02441	3.7
151.00366	74.3
152.00720	2.6
155.04880	0.4
159.04524	1.1
161.02441	1.2
163.00407	1.7
163.04013	1.3
164.01132	1.6
165.01924	1.4
167.05067	0.5
169.01427	2.1
171.04532	0.7
173.02293	0.3
175.03996	0.9
178.99857	26.8
180.00182	1.1
183.04530	0.7
185.06050	0.3
187.03989	1.3
192.00665	0.7
193.01431	1.6
195.33987	0.3
196.00047	0.5
199.04012	0.4
201.05606	0.9
203.03456	0.9
205.05086	0.8
211.03976	1.1
227.03490	1.0
229.05075	2.1
239.28606	0.3
243.02942	0.9
245.04543	2.8
255.02966	0.9
257.04568	1.1
257.12900	0.6
271.02460	0.3
273.04044	4.2
299.02029	0.3
301.03519	100.0
301.21875	2.0
302.03836	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	300.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00328	0.4
59.01381	2.5
68.01411	2.8
69.03455	0.3
69.48426	0.5
69.48840	1.0
71.01396	0.9
73.02962	0.2
94.06644	0.3
95.05035	0.5
96.04546	0.5
97.06625	0.3
98.20635	0.3
102.06302	0.2
109.02962	0.8
110.06110	1.4
111.08115	0.3
122.02485	0.8
122.06139	0.6
123.03270	6.2
124.04036	0.4
124.07716	1.1
126.87912	0.2
128.07188	0.4
130.08713	0.5
135.03030	0.3
136.07700	0.9
137.04846	1.1
138.05609	100.0
139.04128	0.2
139.05956	3.6
140.07222	0.3
152.03525	0.5
152.07152	1.6
166.08748	0.5
167.05856	1.8
168.06635	0.7
178.88838	0.2
180.06651	5.4
196.13541	0.3
210.07637	0.5
212.12981	0.4
228.03862	0.4
256.03378	0.3
258.13474	1.3
259.11932	0.3
300.02332	0.8
300.10886	14.5
300.14487	0.5
300.19205	0.5
301.11310	0.5
301.16550	0.7
301.21780	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0266
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03034	0.4
53.41105	0.4
59.01381	98.8
60.01716	0.6
61.98830	0.7
69.72811	2.0
98.20638	0.5
114.98817	0.5
115.02519	13.5
116.02613	0.9
117.00444	8.2
118.00536	0.6
140.38785	0.4
141.00443	0.7
156.93173	0.6
156.99919	0.8
157.03542	2.3
159.01495	100.0
159.97333	0.4
160.01607	6.9
163.35591	0.5
201.02544	22.8
202.02771	1.8
217.00502	1.0
235.87952	0.4
241.00562	0.5
259.01584	3.7
260.01617	0.7
265.20999	0.4
283.01501	0.6
301.02649	42.0
301.21689	11.0
302.02798	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	301.0355
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.2
67.01883	0.3
67.68697	0.1
68.99824	0.3
69.03451	0.7
70.70160	0.4
77.03972	1.1
79.01881	0.2
83.01376	1.3
87.11316	0.1
92.63667	0.1
93.03458	2.2
95.01386	0.3
97.02955	3.7
98.03277	0.1
103.82784	0.1
109.02973	1.1
121.02967	5.5
122.03271	0.2
123.00900	0.4
137.02455	22.9
138.02795	0.6
139.04079	0.2
146.46902	0.1
151.00348	0.2
165.01939	100.0
166.02275	3.8
166.63939	0.2
283.15646	0.2
301.03519	3.1
301.16635	0.3
301.21860	1.3
302.03967	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.1088
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00330	0.5
58.00581	0.4
59.01385	2.4
65.27273	0.3
67.11608	0.2
68.01417	2.5
69.34824	1.8
69.35241	0.8
71.01397	0.7
89.02422	0.4
90.75852	0.3
95.05034	0.4
96.04586	0.5
98.20681	0.3
109.02933	0.4
110.06123	1.0
122.02517	0.9
123.03259	7.4
123.04087	0.5
124.07674	0.8
136.07741	0.6
137.04845	1.0
138.05611	100.0
139.05984	3.3
149.04536	0.4
152.03625	0.4
152.07227	1.5
152.08258	0.3
166.08807	0.4
167.05861	2.0
168.06540	0.4
180.06657	5.5
182.63127	0.3
210.07753	0.8
222.07614	0.4
228.03864	0.4
240.08727	0.4
258.13486	0.7
300.10892	12.8
300.14975	0.8
301.11203	0.9
301.16803	0.8
301.21674	0.5
307.80960	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	0.3
59.01376	1.8
65.00340	0.2
67.55764	0.2
67.62155	0.2
68.01433	0.4
71.01382	1.1
71.09605	0.5
73.02960	0.3
75.00889	0.3
87.00942	0.3
89.02437	0.7
93.03455	3.8
94.03806	2.9
95.04984	0.4
97.02937	0.2
98.02435	0.3
100.00430	0.3
101.02447	0.3
107.62988	0.3
108.08167	0.3
109.02973	0.4
113.02412	0.3
121.02985	0.3
122.02505	0.5
123.03269	11.4
124.07673	0.3
135.02994	0.9
136.07675	0.3
137.02440	5.3
137.04807	0.7
138.02788	5.2
138.05609	100.0
139.02992	0.3
139.04018	0.6
139.05963	3.1
152.07137	0.5
163.00311	0.4
165.04271	0.4
167.05960	0.3
168.06552	0.2
168.10287	0.3
178.92914	0.3
180.06602	2.1
180.25443	0.3
182.08253	0.8
183.06738	0.3
192.41603	0.2
200.04819	0.3
205.05000	0.3
210.07686	0.2
213.02306	0.4
227.03464	0.4
228.03943	0.3
230.02260	0.4
233.04582	0.5
237.01314	0.3
256.03415	0.4
257.04410	0.3
258.01614	1.5
271.06180	1.2
273.04193	0.3
286.08508	0.4
300.02484	0.5
300.07773	0.4
300.10934	5.7
300.14627	0.4
301.00101	0.2
301.03629	1.2
301.07199	0.3
301.10535	1.1
301.16507	0.6
301.21729	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	300.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	1.5
60.01725	0.3
68.01424	0.5
69.46741	1.2
69.47155	0.4
71.01382	0.8
85.02946	0.2
89.02439	0.5
93.03446	1.1
94.03815	1.1
95.05030	0.2
99.14116	0.2
120.04613	0.4
122.02528	0.3
123.03269	10.4
124.07700	0.3
135.02994	0.7
136.04018	0.3
137.02463	1.7
137.04800	0.9
138.02803	2.3
138.05609	100.0
139.04115	0.3
139.05968	3.2
141.05713	0.2
152.07159	0.6
154.08676	0.2
165.04300	0.8
165.77937	0.2
167.05849	0.4
175.00185	0.3
180.06650	2.1
196.82652	0.2
200.09196	0.2
213.02187	0.4
215.03464	0.2
224.99823	0.2
230.02234	0.6
256.03549	0.3
258.01718	0.9
259.11526	0.2
286.08362	0.4
300.10864	5.8
300.14560	0.3
301.03574	0.8
301.11005	0.3
301.16550	0.3
301.21652	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.0725
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22263	0.6
59.01377	22.0
63.79797	0.7
65.79226	0.5
71.01382	9.1
71.52908	0.9
72.99293	1.3
73.02930	0.7
73.79015	0.6
80.05046	1.0
85.02949	2.4
89.02438	7.3
90.97170	0.6
93.03512	0.7
94.02981	78.9
95.01360	1.1
95.03346	1.5
100.90802	0.6
101.02454	3.2
103.04031	1.7
109.02959	0.6
113.02460	3.9
119.03519	1.3
122.02493	1.7
124.04031	2.5
136.04019	0.7
137.01192	3.5
137.02368	1.4
138.01967	100.0
138.05589	3.9
139.02283	3.4
150.01959	1.3
152.03534	8.0
159.01405	0.8
180.03015	43.3
181.03351	1.2
210.04073	1.1
240.05080	6.4
246.27591	0.7
300.07285	1.1
301.21454	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2592
Annotation	DL-2-hydroxy stearic acid
Peak:m/z	Relative Intensity
59.01376	1.0
71.50383	1.1
114.49077	0.5
119.05025	1.3
138.05598	2.1
138.06612	0.6
138.13443	0.4
141.12843	3.3
145.02916	1.1
163.11551	0.6
164.09375	0.6
217.00244	1.1
253.25304	1.5
271.22797	1.1
281.24854	1.8
297.24332	1.4
299.01962	0.7
299.15347	1.9
299.16141	2.2
299.20401	29.0
299.25885	100.0
300.20642	3.7
300.26215	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	300.0726
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02270	0.3
51.91650	0.3
57.03440	0.4
59.01378	3.1
67.78462	0.3
71.01379	0.9
71.54725	0.3
72.76372	0.3
72.99307	1.1
73.02958	0.3
74.02454	0.3
75.00877	3.8
81.03465	0.3
84.08466	0.3
85.02948	0.6
87.00864	0.7
89.02449	0.9
92.62392	0.3
95.01354	0.3
95.05026	0.7
97.02931	0.5
99.04453	0.3
102.98555	0.4
109.02943	0.8
109.06608	0.4
110.02483	0.8
113.02446	0.3
117.01928	0.5
120.99680	0.3
122.06125	0.4
123.00903	0.5
123.03271	19.0
124.03568	0.4
128.03465	0.3
135.02998	17.3
136.01254	0.3
136.03308	0.4
136.07668	1.0
136.99178	0.3
137.02461	0.3
138.05609	100.0
138.09232	1.2
139.04024	0.8
139.05954	3.1
139.07597	0.4
141.05630	0.4
143.05017	0.3
149.02454	2.0
150.00371	0.3
151.02216	0.4
152.07248	0.4
154.05087	0.4
156.06625	0.6
159.04527	0.3
160.07726	0.3
163.00398	1.4
164.00700	0.6
165.01959	0.5
172.11124	0.3
175.00369	0.9
180.06653	0.8
182.08192	1.6
183.04382	0.4
183.06532	0.3
185.08223	0.4
190.71399	0.3
199.03818	0.4
203.03391	0.3
209.00900	0.4
212.04317	0.4
213.02365	1.3
215.03534	0.6
227.03502	0.9
228.03891	1.8
230.02101	0.7
231.03043	0.3
232.03261	0.4
233.04543	0.5
240.08769	1.0
241.11011	0.4
256.03421	1.5
257.00836	0.6
257.04434	0.5
258.01648	1.8
259.11853	1.2
271.06171	1.2
271.15540	0.4
272.02905	0.4
273.04129	0.4
283.11813	0.4
286.08368	1.6
300.02454	1.5
300.10965	2.6
300.15231	1.1
301.03543	2.3
301.10138	0.4
301.12994	1.3
301.16348	3.6
301.21704	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	299.0903
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93288	1.3
55.97475	1.3
59.01373	2.5
59.40112	1.3
70.06960	4.5
70.07348	2.9
71.01390	2.1
84.38089	1.7
93.03460	90.2
94.03799	2.0
106.34665	1.3
137.02448	100.0
138.02779	3.3
138.05605	2.1
143.98776	1.4
153.01953	1.9
201.55132	1.4
299.07761	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	299.15
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	14.8
59.01382	18.0
64.31699	1.0
69.03455	1.3
69.68501	5.1
71.01386	11.7
71.05031	1.6
72.99302	2.0
73.02955	6.5
73.14219	0.9
73.97797	1.0
75.00913	1.2
79.95726	1.4
80.96527	8.5
81.03482	1.1
81.04076	1.0
83.05026	9.9
85.02954	12.4
85.06581	2.8
87.00885	3.0
89.02448	8.6
93.03452	1.3
95.01379	2.1
95.05057	1.3
97.06585	2.5
98.19952	1.2
99.04518	2.8
99.08156	2.1
101.02450	3.9
102.98586	1.1
107.05027	2.3
109.02884	1.2
109.06570	3.0
113.02474	3.3
119.03519	3.3
119.05037	4.2
121.02965	3.5
123.03217	1.1
123.04550	2.2
123.08152	3.2
128.42662	1.3
135.00874	2.8
135.08179	1.6
137.02458	3.4
137.09706	2.9
138.05646	8.5
138.09282	2.4
139.07655	1.5
139.11284	1.2
149.09726	4.6
151.11259	2.2
153.01912	3.2
163.00325	4.2
163.07437	0.9
163.11259	4.8
165.12930	2.3
167.14355	1.7
169.12317	5.4
177.05563	1.5
177.12801	1.8
179.10777	1.8
182.08200	2.3
183.10188	1.2
184.68246	1.1
187.04036	1.5
195.13896	100.0
196.14255	5.9
199.04010	1.8
211.04048	2.4
225.00854	1.4
227.03564	7.7
231.02954	1.7
237.14969	1.7
241.07227	2.0
243.05312	1.1
255.02980	7.4
255.16048	3.1
257.10175	1.8
258.13574	1.3
269.10159	2.1
271.02460	3.0
299.01468	7.1
299.04877	7.7
299.11328	6.9
299.14987	23.4
300.10818	1.6
300.15372	1.8
320.28235	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	82.8
61.98808	4.6
69.33091	29.4
71.94164	3.0
83.05023	6.6
85.02955	4.6
87.04508	5.3
111.04504	4.7
119.05025	5.4
124.38944	3.2
129.05586	4.9
136.51295	3.2
137.02394	3.7
138.05551	17.0
154.47514	3.2
165.12808	3.9
167.14403	65.2
168.14748	4.1
174.99263	7.3
187.13399	8.2
211.13388	100.0
212.13667	6.9
213.14951	12.2
217.00253	15.0
227.16548	10.7
229.14435	92.4
237.18553	6.9
239.16510	28.9
257.17575	99.6
258.17972	6.2
267.11453	4.1
271.02496	7.4
281.17584	38.4
284.03223	3.9
299.02045	5.1
299.14047	5.7
299.18726	19.3
299.22064	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	299.0903
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93288	1.3
55.97475	1.3
59.01373	2.5
59.40112	1.3
70.06960	4.5
70.07348	2.9
71.01390	2.1
84.38089	1.7
93.03460	90.2
94.03799	2.0
106.34665	1.3
137.02448	100.0
138.02779	3.3
138.05605	2.1
143.98776	1.4
153.01953	1.9
201.55132	1.4
299.07761	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	299.0772
Annotation	glucosyl salicylate
Peak:m/z	Relative Intensity
55.01867	0.5
57.03440	0.7
59.01386	3.9
69.41946	2.1
70.23940	0.3
71.01382	3.7
72.99291	0.5
73.02947	0.9
83.01379	0.4
85.02946	1.8
87.00861	0.5
89.02442	1.9
93.03456	63.1
94.03786	1.9
95.01379	1.0
99.00951	0.4
101.02460	1.8
113.02437	2.2
115.69936	0.3
119.03506	0.8
119.05000	1.3
123.03279	4.6
134.07320	0.3
135.00854	0.6
136.05270	1.2
137.02444	100.0
138.02776	3.7
138.05608	42.9
153.01965	0.3
157.24547	0.3
161.04483	0.7
163.00380	1.4
180.06665	0.7
183.04425	0.4
187.03914	0.4
195.13901	0.5
203.03386	0.4
204.69621	0.3
211.04002	0.8
213.02054	0.4
227.03519	2.1
231.02916	0.5
240.33229	0.4
255.03012	1.7
271.02481	0.4
299.02057	2.1
299.07742	1.2
299.11395	0.9
299.14841	2.7
300.10950	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0903
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	12.7
64.63535	5.8
71.53174	6.2
83.13383	7.3
84.49333	6.1
93.03455	100.0
94.02995	15.5
103.79438	6.6
118.51308	5.3
137.02448	98.1
138.01982	8.4
138.05630	10.8
141.83470	6.5
148.19713	5.8
174.12608	5.4
180.03075	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	299.0773
Annotation	Pseudolaroside A
Peak:m/z	Relative Intensity
55.01860	0.5
59.01370	1.9
62.45535	0.5
65.03972	0.5
69.52111	1.5
69.52520	2.1
71.01385	1.5
73.02943	0.6
85.02968	0.9
89.02462	0.7
90.84209	0.6
91.62038	0.5
93.03458	97.1
94.02976	0.7
94.03798	3.4
101.02412	0.9
121.02912	0.5
129.01900	0.6
137.02444	100.0
138.02826	3.5
138.05617	1.8
153.01982	1.0
160.76877	0.5
179.03464	1.0
206.73340	0.5
320.74673	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0772
Annotation	p-hydroxybenzoyl glucose
Peak:m/z	Relative Intensity
54.06358	0.7
55.01881	0.8
57.03444	1.4
57.47232	0.8
58.00587	2.2
59.01379	55.7
60.01701	0.8
62.43462	0.7
68.58882	0.7
69.91411	3.4
71.01382	21.8
72.99337	1.6
76.71555	0.6
82.71560	0.8
83.01397	0.9
85.02947	7.5
87.00874	1.3
89.02443	24.6
93.03457	20.7
95.01400	2.1
101.02441	13.9
109.02994	0.9
113.02456	8.9
119.03496	8.3
121.02921	1.7
123.04609	1.0
135.04518	1.5
136.01656	6.5
136.05331	1.4
137.02443	100.0
138.02728	4.0
138.05602	3.4
149.02443	2.3
151.04019	4.1
179.03493	27.3
180.03844	1.1
209.04523	3.3
219.83986	0.8
239.05605	12.8
251.02303	0.7
257.11316	1.4
299.07727	46.8
299.15051	3.0
299.66803	0.7
300.08124	2.9
307.76349	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1529
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.6
60.40029	0.2
70.45524	0.6
70.45901	0.4
71.01377	0.8
79.95703	1.3
89.02441	0.5
98.64018	0.3
101.02415	0.6
113.02429	0.4
119.05048	1.3
170.00433	1.8
183.01196	61.6
184.01715	3.4
197.02797	1.7
216.00949	1.5
225.05852	0.7
226.06824	0.4
233.19116	0.4
237.51204	0.3
239.07433	0.4
291.69748	0.3
297.15271	100.0
298.15625	8.7
298.19034	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2434
Annotation	cis-9,10-Epoxystearic acid
Peak:m/z	Relative Intensity
55.14531	0.4
57.03429	0.4
59.01380	5.2
61.98852	0.4
64.95228	0.3
66.18363	0.4
67.64480	0.4
70.99227	0.6
71.01391	2.6
73.02943	0.5
79.95749	0.5
83.01386	0.5
85.02960	0.4
85.16351	0.4
89.02444	1.7
101.02438	1.7
106.28107	0.4
108.76292	0.5
113.02415	1.1
117.03479	3.2
119.03524	0.9
119.05018	1.4
120.03778	0.4
121.02979	3.0
123.04527	1.4
125.09688	0.6
127.11292	2.6
133.02951	0.9
135.06668	0.8
141.12766	0.4
145.02898	0.6
153.12912	0.7
161.04535	0.7
162.03191	1.4
163.04044	2.2
171.08795	0.7
171.10268	11.6
172.10513	0.5
183.01208	15.2
184.01953	1.4
189.23906	0.4
195.24435	0.4
203.63680	0.5
208.84302	0.4
211.21864	0.4
216.00937	0.9
237.09747	1.0
248.13652	0.5
261.22195	0.8
279.23285	12.7
279.26404	0.7
280.23669	1.4
286.85074	0.4
295.22806	1.0
297.12216	1.1
297.15234	31.5
297.24335	100.0
298.15628	3.2
298.24710	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	297.1344
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60978	0.7
54.63006	0.8
57.03452	6.1
58.00587	1.3
59.01381	36.0
59.27483	0.8
62.70884	0.7
67.01897	1.1
68.59861	0.8
69.03463	6.7
71.01384	8.8
72.99300	2.0
73.02938	2.8
75.00889	1.4
76.20889	0.8
78.45592	0.9
81.03456	1.5
83.01398	2.1
83.05031	3.5
84.02161	0.8
85.02950	15.3
85.23457	0.8
87.00908	1.3
87.04516	2.0
88.04030	1.0
88.98477	0.7
89.02441	7.1
91.01894	1.5
93.03474	2.2
95.05036	3.2
97.02954	1.9
97.06628	1.5
99.04507	1.7
101.02454	4.0
101.82660	0.8
107.05025	2.4
109.02973	4.5
109.06596	2.5
111.04527	2.6
111.08147	1.2
113.02458	2.7
113.06100	0.9
119.03483	2.6
119.05022	1.5
119.08640	1.0
121.02998	0.8
121.06598	8.7
121.54018	0.8
122.03723	1.3
123.04535	1.8
123.08150	1.6
125.06116	1.3
131.29762	0.9
134.03795	1.2
135.00897	3.3
135.03020	1.5
135.04510	2.1
135.06602	2.4
135.08206	4.2
137.02452	3.0
137.06117	1.3
137.09723	3.2
139.03989	1.7
139.07651	2.5
147.04573	1.9
147.08167	2.2
149.06053	2.9
149.09731	3.9
151.07672	1.1
153.01959	2.7
153.09245	5.3
161.04567	2.0
161.05933	1.2
161.09735	2.4
162.94131	1.1
163.04152	0.9
163.07596	0.9
163.11285	1.7
165.09210	2.1
175.07637	1.8
175.11263	2.4
177.12868	1.0
179.03441	0.9
179.05664	1.0
179.07170	1.8
179.10750	1.5
181.08806	1.3
183.06607	1.8
187.11266	3.0
191.10768	1.8
193.08672	7.2
193.12401	1.3
205.12381	2.7
209.11783	1.3
217.12386	1.3
221.08296	0.9
223.09735	5.0
233.47203	0.9
235.13382	1.4
237.11395	11.9
253.14485	2.7
255.12378	26.2
256.12686	2.4
267.12405	1.0
297.13449	100.0
298.10260	1.2
298.13721	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	297.1191
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50885	0.9
54.00576	1.0
55.01873	2.5
57.03440	1.5
58.00588	2.4
59.01379	100.0
60.46439	1.1
69.68906	6.7
69.69229	1.7
71.01379	45.5
72.99316	3.4
73.02950	6.5
75.00866	2.4
83.01385	4.0
85.02946	10.7
87.00888	2.8
89.02446	52.3
95.01392	2.4
98.19840	1.2
99.00883	3.1
99.04510	1.8
101.02441	31.5
106.15719	1.2
109.02972	1.0
113.02451	19.1
115.00394	1.1
117.05592	1.4
119.03500	18.5
131.03519	2.6
135.04471	1.2
135.06641	21.8
143.03505	3.4
149.04579	1.5
161.04550	13.4
163.07655	1.1
179.05620	8.6
181.07204	3.2
205.97169	1.1
237.09749	6.0
239.94690	1.1
252.88538	1.1
297.08377	2.8
297.11826	29.3
298.12354	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	297.119
Annotation	3-O-(alpha-L-rhamnopyranosyl)-D-ribitol
Peak:m/z	Relative Intensity
52.12872	1.2
55.01863	2.0
57.03444	3.1
58.00582	3.6
59.01377	100.0
60.01711	2.1
66.66164	1.1
69.58904	1.0
70.75681	1.2
71.01381	52.7
72.99297	5.6
73.02947	9.8
75.00859	4.0
80.12524	1.0
83.01385	4.5
83.28642	1.0
85.02953	17.6
85.09711	1.0
87.00848	4.0
89.02443	67.7
95.01384	3.1
99.00877	3.1
101.02444	42.2
103.03996	1.9
113.01710	1.7
113.02443	21.2
115.00344	1.1
117.05563	3.0
119.03499	27.8
125.94702	1.2
131.03522	2.1
135.06628	30.9
143.03488	5.4
149.04558	1.3
159.02957	1.3
161.04544	18.0
179.05594	17.3
181.07104	4.3
182.23695	1.3
237.06166	1.6
237.09717	1.5
274.86539	1.1
297.08298	8.0
297.11838	44.1
298.08670	1.4
298.12097	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	295.2278
Annotation	9(S)-HODE
Peak:m/z	Relative Intensity
57.03436	2.8
59.01384	4.7
61.98842	0.8
62.15230	0.8
70.77415	1.2
71.01393	1.0
89.02452	1.2
101.02429	0.9
108.79705	0.7
121.06480	0.9
125.09713	1.0
127.11329	1.0
139.11290	1.2
155.14427	4.8
171.10260	23.9
183.10234	1.8
251.23802	2.7
277.21725	26.5
278.22003	2.5
295.22781	100.0
296.23093	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	297.0471
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	12.2
61.98823	0.9
70.04710	2.3
70.05081	1.4
71.01023	0.9
71.01379	5.3
74.99068	5.6
78.42568	0.7
83.86816	0.7
85.02933	1.7
89.02437	4.6
89.04283	5.9
93.00135	1.3
101.02441	3.2
105.68301	0.7
113.02446	2.6
119.03578	1.4
119.05022	1.1
135.06648	1.3
149.00958	47.9
150.00972	2.6
151.00336	0.9
161.04463	0.9
179.05603	1.6
183.01201	28.0
184.01915	1.7
197.02715	1.7
206.99660	1.0
208.97693	1.7
216.00853	1.8
223.02855	5.2
225.00789	1.8
237.09709	1.5
256.25723	0.8
264.98450	23.8
265.98425	2.0
270.74612	0.7
279.23199	1.0
281.01593	5.7
282.01651	1.7
282.99426	2.3
296.23163	2.6
297.04700	100.0
297.15271	49.7
297.24338	25.3
297.27768	0.9
298.04742	13.7
298.15729	2.6
298.24686	1.6
299.02594	10.6
300.02582	1.0
315.05838	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.0472
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73707	1.0
59.01379	19.3
71.01380	8.8
71.54688	1.2
74.99078	5.0
79.95739	1.4
85.02951	2.3
89.02427	6.1
89.04279	8.6
93.00124	2.2
101.02438	6.5
113.02454	3.3
116.69183	1.0
119.03500	3.5
121.06600	15.9
128.10628	1.1
128.35567	1.1
135.06615	3.1
141.20509	1.1
149.00963	49.8
150.00970	2.2
151.00424	1.1
161.04514	2.3
163.11295	13.3
183.01213	34.4
184.01921	3.6
192.85638	1.2
197.02701	1.8
216.00943	1.8
219.96645	1.1
223.02803	7.2
236.60414	1.3
237.09808	2.5
264.98422	25.1
265.98541	2.2
269.24750	1.9
281.01453	5.9
282.99429	1.9
297.04703	100.0
297.11893	5.8
297.15274	66.6
297.18591	12.6
297.24338	32.3
297.27670	1.3
298.04700	14.2
298.15686	3.7
298.18988	1.6
299.02640	10.4
301.00549	2.0
315.05765	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	295.2278
Annotation	9(S)-HODE
Peak:m/z	Relative Intensity
50.12996	0.3
57.03445	0.4
59.01374	2.8
69.03458	0.5
69.60738	0.3
71.01373	0.6
71.50445	0.8
72.99296	0.5
83.05022	0.8
84.02155	0.4
96.95989	0.9
97.06648	0.5
98.95591	3.4
98.96384	0.6
101.02425	0.5
109.06609	0.5
113.02425	0.4
127.11263	1.3
129.15112	0.4
130.30450	0.4
133.05194	0.4
139.11346	0.5
139.80104	0.4
141.12845	10.2
146.49156	0.4
155.14410	4.3
171.75569	0.4
171.88754	0.4
176.24753	0.3
195.17685	0.4
247.20540	0.4
249.22226	9.3
250.22597	1.0
251.10580	0.5
277.21716	1.0
295.17444	2.6
295.22766	100.0
296.23114	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	295.1398
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
61.98473	0.9
69.31304	1.7
69.31712	6.4
71.01377	3.8
72.99294	1.8
85.02964	0.9
89.02448	1.6
101.02460	2.8
106.36028	0.8
113.02373	1.3
113.98257	0.9
133.01451	1.5
137.02460	1.0
159.02979	1.0
161.04587	1.2
221.08223	1.1
235.11923	2.7
236.89906	0.8
295.08386	1.1
295.12100	3.2
297.80298	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2276
Annotation	9(S)-HODE
Peak:m/z	Relative Intensity
59.01368	1.3
71.00208	0.6
71.00552	1.1
76.21968	0.6
81.63010	0.7
99.08135	0.9
104.17663	0.7
125.09734	0.8
171.10254	37.0
172.10580	1.3
248.10866	0.7
277.21707	47.4
278.22086	5.9
295.22766	100.0
296.23074	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	295.2278
Annotation	9(S)-HODE
Peak:m/z	Relative Intensity
59.01369	4.3
62.28952	1.4
63.30653	1.5
70.84811	2.5
70.85146	2.9
141.12868	1.9
171.10269	41.3
187.33640	1.7
194.86932	1.6
277.21689	49.9
278.22092	3.4
295.22787	100.0
296.23132	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	295.1036
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	5.8
58.00614	2.0
59.01382	57.4
69.03451	1.8
71.01384	50.1
71.05018	2.5
71.54214	1.9
72.99313	45.5
73.02950	12.2
74.99113	3.7
75.00867	3.9
83.01389	5.9
85.02952	23.2
86.25591	1.4
87.00888	6.2
87.04506	4.2
88.83365	1.5
89.02448	37.0
93.03439	1.7
97.02969	3.6
99.00903	3.3
101.02454	57.1
101.06112	4.4
103.03994	2.7
107.75381	1.5
113.02457	15.5
115.04001	1.9
117.05573	8.8
119.03506	13.7
119.05004	1.7
120.99657	2.7
125.02380	1.7
131.03516	3.8
133.05063	10.5
133.08713	3.8
136.99194	4.4
137.02444	3.7
147.06647	79.5
148.06993	1.9
161.04637	12.3
163.06154	6.9
177.04057	6.8
179.05681	3.9
181.07190	100.0
182.07590	3.3
295.04745	3.4
295.10297	12.2
295.13937	7.0
319.64731	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	295.0974
Annotation	Calophyllin B
Peak:m/z	Relative Intensity
61.98815	2.3
70.96095	2.3
72.26437	1.0
77.03982	1.3
79.28178	0.9
85.48642	0.9
93.03435	1.4
96.99310	18.3
98.02718	0.9
103.05520	3.1
115.05535	16.3
117.03437	2.1
121.02998	1.1
129.07082	1.0
131.05043	2.2
147.04520	21.8
191.08578	2.2
205.10274	7.1
207.11777	2.0
233.09692	36.8
234.09972	3.1
251.10747	3.1
277.08652	15.0
278.09152	2.1
283.41266	1.0
295.09744	100.0
296.10098	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	295.0974
Annotation	[2'-CARBOXYLETHYL]-10-METHYL-ANTHRACENE ENDOPEROXIDE
Peak:m/z	Relative Intensity
59.01371	1.1
69.92168	4.1
71.01407	0.8
77.03944	1.0
81.17058	0.8
91.05562	1.9
96.99305	9.8
98.20509	0.9
99.98676	0.8
103.05527	7.5
115.05529	12.3
117.03439	1.6
119.05000	2.4
125.75951	0.8
128.72749	0.8
147.04523	93.9
148.04852	4.5
191.08623	1.0
205.10214	4.2
206.50548	0.9
207.11801	9.1
221.09824	1.2
233.09720	18.5
234.10007	1.9
251.08153	1.6
251.10757	30.3
252.11102	2.3
277.08682	9.0
295.09750	100.0
296.10071	11.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.0973
Annotation	[2'-CARBOXYLETHYL]-10-METHYL-ANTHRACENE ENDOPEROXIDE
Peak:m/z	Relative Intensity
53.73671	0.8
55.41838	0.9
59.83687	0.9
66.40109	0.9
67.09768	0.9
69.60179	0.8
71.01374	1.5
71.32320	1.8
71.32640	0.9
91.05516	2.5
96.99320	10.1
103.05534	8.5
115.05531	14.3
117.03437	1.4
119.05017	2.0
129.07117	1.0
131.04927	1.5
145.06557	1.1
147.04521	100.0
148.04852	4.8
187.50510	1.0
193.69563	0.8
205.10207	6.1
207.11784	8.8
208.12273	1.2
233.09714	23.3
234.10110	1.9
251.10753	28.0
252.11133	2.0
277.08768	8.4
295.09747	99.4
296.10086	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	293.2487
Annotation	Sterculic acid
Peak:m/z	Relative Intensity
51.19411	0.6
58.92727	0.6
59.01365	1.7
61.98819	0.9
66.99792	0.5
69.39598	5.0
70.57603	0.7
70.64893	0.6
71.01376	2.0
72.99295	0.8
79.00054	0.6
79.95721	1.3
80.41716	0.6
94.92798	0.6
96.96010	42.7
98.19764	0.6
98.64851	0.6
111.19720	0.6
111.30721	0.7
132.56172	0.6
136.08916	1.7
164.70221	0.5
177.09207	1.1
192.11526	1.9
193.15962	3.7
196.08315	0.7
207.13916	0.7
220.14610	6.6
221.15433	12.3
222.15681	1.2
236.10501	8.9
248.31261	0.6
249.18549	1.2
293.08719	0.8
293.17929	27.6
293.24844	100.0
294.18140	2.3
294.25143	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	295.0975
Annotation	4-Ethyl-7-hydroxy-3-(p-methoxyphenyl)coumarin
Peak:m/z	Relative Intensity
54.68063	0.5
66.42752	0.6
71.39127	1.2
74.63448	0.5
91.05539	1.0
93.03475	0.8
96.86035	0.5
96.99290	0.8
103.05531	8.4
115.05541	3.6
119.05020	2.7
129.07117	0.6
133.06520	0.8
146.33815	0.6
147.04518	100.0
148.04839	4.9
174.13907	0.6
185.51062	0.5
192.50745	0.5
199.18509	0.6
205.10266	1.7
207.11772	7.6
208.12123	0.7
221.09612	1.1
233.09727	1.1
237.29518	0.6
251.10774	27.8
252.11096	2.7
295.09753	40.1
296.10068	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	293.2123
Annotation	13(S)-HOTrE
Peak:m/z	Relative Intensity
57.03451	0.8
58.78809	0.3
59.01377	0.7
63.13153	0.3
69.03455	0.7
71.01375	1.0
72.99303	1.3
83.05011	0.7
87.00822	0.4
95.05019	0.3
96.96017	0.8
97.06600	0.4
98.19908	1.2
99.08140	0.6
101.85799	0.4
113.09712	0.9
121.10238	0.5
125.09753	0.8
139.11290	3.9
145.35347	0.3
153.12830	1.5
161.04539	0.4
165.75552	0.3
167.14397	0.5
191.18086	3.8
192.11526	0.6
193.15981	1.3
220.14738	1.4
221.15436	2.8
223.83710	0.4
224.14182	1.1
229.19632	0.6
236.10426	2.0
245.19221	0.6
247.20686	3.0
270.43515	0.4
275.20132	1.0
291.19708	0.8
293.21216	100.0
294.21527	9.2
311.13931	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41969	0.4
56.12992	0.3
57.03446	2.6
59.01156	0.3
59.01384	3.1
61.98807	1.2
70.40781	1.2
71.01389	2.7
74.63645	0.3
85.02920	0.5
87.00842	0.4
89.02440	0.8
91.09540	0.4
96.94604	0.4
96.95995	0.7
97.06580	1.1
98.20583	0.4
101.02411	0.6
113.09721	3.9
121.02966	0.5
123.08141	0.7
125.09715	3.9
128.89418	0.4
131.03549	0.5
139.11272	0.7
141.12871	1.3
149.09697	1.7
156.13933	8.0
157.14273	8.8
161.04544	1.3
167.10786	0.8
177.09187	0.7
179.10721	0.6
185.11809	8.5
192.11551	0.6
195.13928	1.0
197.11812	2.0
201.13269	0.4
205.12312	0.7
211.13248	0.4
220.14635	5.8
221.15459	11.2
222.15741	0.9
236.10513	8.3
237.10899	0.5
249.18712	0.9
249.22173	1.1
275.20044	0.7
293.21213	100.0
294.18198	0.9
294.21521	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	293.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	3.1
59.01387	8.1
61.04824	1.8
61.98830	5.4
71.01373	11.4
73.02923	2.0
85.02931	2.8
87.00870	1.7
89.02443	3.3
96.95984	2.9
101.02430	3.9
109.02953	1.4
111.00874	1.6
113.02439	2.7
131.03482	1.9
136.08961	10.0
147.89912	1.6
151.11258	1.7
153.19482	1.8
161.04536	6.4
169.12291	2.9
192.11574	7.6
193.15964	19.3
197.11830	30.1
205.12383	2.2
208.97826	1.7
220.14685	14.9
221.15460	28.4
222.15875	2.1
229.22420	1.8
236.10556	27.4
237.10799	1.9
249.18553	6.2
258.38104	1.7
260.69852	1.6
275.20142	17.1
293.08847	4.2
293.17627	19.8
293.21204	100.0
294.21564	10.7
302.77634	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	293.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45040	1.2
51.63638	1.0
59.01377	1.9
69.42066	3.9
69.42488	5.5
73.58557	1.0
79.18081	1.1
84.40099	1.3
97.06551	1.4
100.26506	1.3
121.09361	2.4
121.10234	47.2
122.10521	1.6
125.09709	1.4
146.36613	1.1
157.38670	1.1
171.10277	85.8
172.10606	4.4
185.11832	4.6
231.21196	3.9
275.20151	100.0
276.20453	6.5
293.21222	59.7
294.21497	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	293.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98425	0.4
57.03440	1.5
97.06609	0.6
98.19834	0.7
105.51034	0.4
111.24020	0.4
117.00114	0.4
121.10259	0.5
123.08166	1.0
125.09724	4.5
141.12825	1.4
149.09715	1.7
181.91084	0.4
185.11824	10.2
186.12184	0.7
197.11841	2.9
219.27316	0.4
293.21222	100.0
294.21552	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	293.1793
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67677	0.3
63.25873	0.3
71.01374	0.4
79.95731	2.3
88.61507	0.3
95.95254	0.4
96.96011	100.0
97.95953	0.5
98.20682	0.5
117.98238	0.3
159.70860	0.3
173.48480	0.3
193.15932	0.7
203.67252	0.3
220.14639	1.3
221.15497	1.8
236.10484	1.8
280.82968	0.3
293.17920	71.1
294.18198	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	293.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.8
59.01364	6.2
59.44558	1.3
61.98828	1.9
67.00640	1.2
67.79963	1.1
70.86875	3.0
71.01382	1.5
71.05025	5.9
85.35532	1.3
96.95979	1.2
98.04601	1.4
113.09694	2.2
123.10161	1.3
144.21704	1.3
171.10294	2.2
173.05815	1.5
191.17926	1.4
193.15985	2.0
209.15486	1.8
220.14639	2.4
221.15460	5.5
223.16936	6.0
231.21248	2.9
235.17004	35.0
236.10443	3.2
236.17430	2.1
237.18590	1.8
273.05200	1.3
275.20084	37.1
276.20233	2.6
293.08893	12.9
293.21210	100.0
294.21539	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	293.176
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93412	0.2
61.09898	0.2
70.42243	0.8
71.01382	8.5
72.79986	0.2
100.95551	0.2
101.02439	0.2
103.25219	0.2
123.54517	0.2
127.07684	1.2
137.02341	0.2
148.05276	1.4
150.61729	0.2
151.07588	0.7
161.04570	0.5
164.08435	1.8
167.92929	0.2
177.09216	5.8
178.09625	0.3
190.09988	0.3
191.10677	0.2
192.11554	7.1
193.12054	0.7
205.12318	8.7
206.12701	0.4
207.13875	1.4
217.08781	0.5
218.09525	2.1
220.14677	50.6
221.15450	100.0
222.15800	6.9
235.13464	0.8
236.10524	71.1
237.10918	4.9
293.08713	0.4
293.17630	8.3
293.21039	0.9
294.17984	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1759
Annotation	Discosiolide
Peak:m/z	Relative Intensity
55.01866	0.8
57.17949	0.6
58.10387	0.7
58.85182	0.6
59.01387	0.7
65.53718	0.5
70.86198	1.2
70.86544	0.6
71.01410	1.0
99.00874	3.2
128.81258	0.6
130.62045	0.5
136.08942	51.8
137.09312	2.3
140.84338	0.5
153.66595	0.6
177.09250	3.7
192.11580	33.6
193.12354	2.7
193.15976	100.0
194.16331	6.3
220.14679	1.4
221.15468	2.5
236.10515	1.6
249.18591	34.4
250.18927	2.4
266.00369	0.6
287.77478	0.6
293.17599	37.0
293.20844	1.5
294.17847	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	293.1794
Annotation	Unknow
Peak:m/z	Relative Intensity
55.11508	0.3
59.01381	0.4
61.98814	0.5
65.19592	0.4
69.74699	0.4
69.75110	1.4
71.01388	0.7
79.44881	0.3
79.95737	2.5
95.95229	0.5
96.96013	100.0
97.95942	0.5
98.20656	0.3
112.71198	0.4
136.08922	0.5
143.83046	0.3
147.53682	0.3
177.09265	0.4
192.11533	0.8
193.15909	1.6
220.14665	1.8
221.15454	4.3
236.10535	2.5
249.18575	0.4
260.26801	0.3
293.17929	67.2
294.18256	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	293.1005
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00582	1.9
59.01379	50.7
64.04367	1.2
66.21181	1.0
71.01379	22.1
71.54980	1.4
72.00909	14.3
72.99310	3.6
73.02955	2.5
77.09294	1.1
82.02985	2.8
83.01397	2.3
83.05043	1.5
85.02956	5.5
85.06590	13.9
86.59531	1.1
87.00901	3.5
89.02444	24.9
90.64610	1.5
95.01382	2.4
99.00888	1.5
100.00410	100.0
100.04084	4.4
101.00725	1.5
101.02447	14.7
102.14043	1.3
102.98595	6.1
113.02443	9.8
113.06077	8.0
115.07640	1.3
116.70746	1.2
119.03522	7.5
120.99665	2.9
122.99209	2.7
127.07664	1.9
129.09328	1.5
131.07138	49.5
133.03946	16.3
143.03467	1.3
144.03026	51.4
145.03421	2.1
145.08635	1.3
145.36038	1.2
148.06294	87.4
149.06636	2.0
161.04744	1.3
163.04340	1.4
163.07993	3.7
165.07552	1.3
173.06062	1.3
175.09741	13.3
189.85313	1.3
205.08832	1.4
209.57733	1.4
221.95450	1.2
247.08087	3.2
249.07599	3.7
249.11336	1.6
293.12531	82.0
294.12918	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	293.1243
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	2.4
55.70282	0.7
57.03438	1.5
58.00588	3.8
59.01379	100.0
61.78313	0.8
69.43024	6.9
71.01382	54.2
72.01691	1.2
72.99301	4.4
73.02944	3.7
83.01383	3.0
85.02943	10.7
85.86263	0.9
87.00874	2.7
89.02443	64.0
90.02795	0.9
95.01390	3.5
101.02441	36.8
102.97849	0.9
113.02455	24.2
113.06084	3.4
119.03495	29.1
131.03516	0.9
131.07132	4.7
143.03496	2.9
149.04582	1.8
161.04601	1.3
175.09770	2.0
179.05545	2.8
216.94135	0.9
242.78937	1.1
293.12433	58.6
294.12692	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	293.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15429	0.5
59.01379	100.0
60.01720	0.8
67.76416	0.4
69.96400	1.0
69.96811	1.5
71.01400	0.6
94.66400	0.4
98.20544	0.6
140.36171	0.5
141.46930	0.5
175.07660	3.9
178.04593	0.4
189.79039	0.4
233.11842	0.7
251.12851	2.8
288.14944	0.4
293.08444	0.9
293.13889	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	292.0858
Annotation	Triadimefon
Peak:m/z	Relative Intensity
59.01376	5.2
61.98835	3.6
66.60849	1.3
68.02538	100.0
69.02895	1.3
71.01385	3.7
71.54382	1.5
71.54814	1.7
83.01415	1.5
86.33133	1.3
126.99612	2.1
152.08354	1.6
156.13956	2.3
190.78761	1.6
220.14639	5.3
221.15500	12.3
236.10526	9.5
239.07918	1.5
264.20139	1.4
275.19958	2.5
292.20074	10.7
293.08969	1.6
293.17712	2.7
293.20972	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	292.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82159	0.3
57.03458	0.3
58.02964	0.9
59.01375	1.2
61.98830	1.1
64.97419	0.3
71.01381	1.2
71.24599	0.6
72.99302	0.4
79.69427	0.3
85.02945	0.4
87.00938	0.3
89.02396	0.3
95.61424	0.4
96.95997	0.3
121.03001	0.3
136.91833	0.3
154.17494	0.3
156.13934	100.0
157.14299	4.2
161.04544	0.6
166.01369	0.3
177.09201	0.3
179.59370	0.3
192.11586	0.5
192.95718	0.4
200.12935	5.5
205.12340	0.5
220.14661	3.8
221.15457	6.6
235.13287	0.4
236.10530	5.5
274.18964	0.4
292.16864	0.4
292.19806	2.3
293.08902	0.7
293.17575	1.2
293.21118	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	292.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	0.6
58.02977	0.6
59.01374	2.4
61.98832	0.6
69.72472	1.9
71.01366	1.9
72.38697	0.3
75.00892	0.4
79.95753	0.4
82.19168	0.3
89.02430	0.6
113.09732	1.8
124.94488	0.3
125.09734	2.0
139.11168	0.4
139.70828	0.4
141.12852	0.8
141.27875	0.3
149.09703	0.9
156.13936	100.0
157.14287	4.8
161.04541	0.9
163.77963	0.4
163.99879	0.5
177.09113	0.4
185.11823	3.0
197.11870	1.0
200.12894	5.5
220.14687	3.3
221.15445	6.5
233.12115	0.3
236.10519	4.7
238.58498	0.5
249.18666	0.6
249.22382	0.4
251.23618	0.4
292.19888	2.8
293.09067	0.7
293.21228	47.7
299.76022	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.0669
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08672	1.4
58.00602	3.5
59.01379	73.1
66.97105	1.5
67.55573	1.6
69.52515	9.7
71.01363	7.5
72.99309	7.4
73.02940	2.8
80.96532	1.8
84.46922	1.6
85.02963	2.5
87.00880	2.3
89.02446	3.8
91.78282	1.3
99.00875	6.2
101.02457	4.1
103.00373	100.0
103.05550	4.5
104.00708	1.8
105.01908	1.5
113.02451	2.1
115.00403	10.2
115.05546	9.1
119.05061	2.7
131.05031	16.5
133.06598	10.3
143.05058	3.1
145.01421	16.3
145.06586	1.7
147.04523	80.9
147.08214	1.6
148.04865	3.1
161.06079	81.9
162.06401	2.4
189.05554	9.0
191.05724	1.5
205.62477	1.5
211.72339	1.4
224.56438	1.4
251.12885	2.3
256.44006	1.5
293.06778	5.7
293.10681	2.4
293.13815	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	291.1966
Annotation	13-epi-12-oxo Phytodienoic Acid
Peak:m/z	Relative Intensity
50.94782	0.3
51.73273	0.5
59.01378	0.5
59.91002	0.3
71.01362	0.4
72.36131	0.3
73.02945	56.9
74.03277	0.7
75.48746	0.3
83.12460	0.4
116.84795	0.4
121.02968	0.5
158.56311	0.3
204.33250	0.3
208.66666	0.4
210.87271	0.3
251.94060	0.4
291.19650	100.0
292.20001	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	292.0828
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	2.5
59.01377	3.2
67.01874	2.5
69.68269	7.4
71.01385	2.3
72.00920	7.3
72.04552	4.5
82.02985	81.4
83.01384	12.1
84.04559	10.6
91.05537	4.4
91.11034	1.5
94.02981	6.0
98.02477	24.4
98.20609	3.2
99.00867	3.5
100.04037	14.2
101.02464	1.9
103.05488	2.2
111.03259	18.2
118.06603	9.2
126.01984	3.4
127.00365	11.2
131.04988	1.8
144.08167	2.9
147.04527	39.6
148.04872	2.5
159.08162	2.3
164.07155	45.1
165.07558	1.9
184.07671	23.2
185.07976	2.7
186.09227	13.2
189.19995	1.4
202.08714	20.2
203.08951	1.5
230.08209	23.4
246.07697	100.0
247.08029	6.0
248.09279	4.9
256.31555	1.4
274.07184	34.9
275.07492	2.4
292.08167	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	292.0827
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	2.5
57.03428	2.1
57.89057	1.6
59.01374	16.2
59.09393	1.3
67.01884	3.1
70.02962	3.7
70.92432	1.0
71.01383	9.0
71.54626	1.0
72.00903	4.9
72.04543	4.3
72.99294	4.5
82.02983	80.7
83.01382	11.8
84.04552	7.7
85.02941	4.4
85.06588	4.0
87.00877	3.5
89.02443	10.7
90.62521	1.3
91.05515	4.3
94.02978	5.3
97.02915	1.4
98.00773	1.3
98.02472	24.9
99.00883	4.6
100.04055	9.2
101.02436	5.1
103.05477	1.4
108.05656	1.6
110.02470	2.6
111.03255	18.9
113.02441	2.3
113.06117	1.4
117.07087	1.3
118.06608	7.5
119.03496	1.8
119.05046	1.9
120.99697	2.3
126.01973	2.6
127.00372	9.3
131.07141	16.5
144.08121	2.2
147.04524	38.7
159.08139	1.9
164.07161	44.6
165.07391	2.0
183.22768	1.2
184.07686	24.6
186.09227	13.7
202.08759	21.0
230.08228	23.6
246.07701	100.0
247.08054	6.5
248.09229	3.6
274.07220	39.3
274.10162	3.1
275.07486	3.1
292.08212	10.5
293.09323	2.3
293.12436	25.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0829
Annotation	N2-Malonyl-D-tryptophan
Peak:m/z	Relative Intensity
54.66693	4.5
58.02962	21.4
59.01373	6.4
60.55170	4.9
69.46632	22.5
69.47041	12.1
70.02984	17.9
72.00912	8.7
72.04548	6.5
74.02469	91.9
81.95042	4.8
84.77424	4.4
96.95985	21.6
98.02471	31.4
98.20625	9.6
104.60269	4.8
116.03532	29.1
116.05051	35.6
142.06648	9.2
147.18932	4.4
157.40028	6.2
159.09265	8.3
180.27034	6.1
201.10367	7.7
203.08255	87.3
204.08510	10.0
229.14505	6.0
245.09317	100.0
247.15439	18.7
289.08017	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	291.0722
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30928	1.0
55.01880	2.0
57.03446	2.0
58.00579	1.3
59.01378	31.4
61.98825	2.0
65.08945	1.2
67.01920	1.1
68.99825	9.6
69.03459	2.4
71.01386	25.3
71.53791	1.5
72.99310	7.8
73.02937	5.8
75.00874	2.1
83.01392	6.7
85.02944	13.1
86.00092	7.0
87.00878	100.0
89.02448	17.5
95.01382	1.3
97.02924	1.7
99.00880	10.4
99.04508	1.4
101.02445	17.6
105.01939	14.6
109.02951	1.9
111.00885	32.6
113.02452	11.3
115.00376	1.5
119.03470	7.9
125.02425	4.2
127.00357	2.1
127.04036	1.2
128.01132	1.7
129.01939	16.5
130.08693	1.1
133.05058	1.7
137.02432	1.6
141.01886	1.6
143.03505	1.9
153.01924	1.9
173.08163	3.0
175.02502	1.8
179.05568	2.3
237.37439	1.1
252.87503	1.1
291.07416	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	291.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	2.1
70.86821	1.3
74.23203	0.5
80.90759	0.6
93.07093	2.0
94.28395	0.6
97.06577	1.7
102.11210	0.6
115.10073	0.6
121.10225	15.1
122.10609	0.8
123.08150	1.7
125.09700	8.4
141.12823	1.4
155.94656	0.6
185.11812	17.0
186.11996	0.8
195.66180	0.6
197.11761	4.0
209.11786	1.8
211.13348	1.8
221.23233	0.7
223.13312	1.4
247.13326	0.6
263.15204	0.8
273.18579	1.7
280.32382	0.8
289.18219	0.9
291.19644	100.0
292.20050	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	289.0717
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	6.0
69.01920	0.7
69.03443	1.5
71.00598	1.2
80.02660	1.0
81.03448	6.6
83.01379	6.3
85.91071	0.6
93.03463	3.5
95.01379	2.4
95.05025	8.9
97.02353	1.1
97.02956	15.3
99.04532	1.0
107.05035	0.9
108.02168	3.2
109.02949	56.4
110.03270	2.2
121.02959	7.5
122.03754	3.5
123.04523	34.6
124.04823	1.6
125.02441	33.8
126.02755	1.3
135.04529	3.8
137.02443	20.8
138.03223	1.1
139.04008	7.1
145.02937	2.9
146.03732	2.3
147.04477	1.1
149.02426	9.0
150.03210	2.5
151.03995	18.9
157.06570	1.0
158.03743	0.9
159.04488	6.1
160.05244	2.6
161.02428	1.9
161.06064	9.9
162.03200	3.4
163.03964	2.0
163.22366	0.7
164.01120	5.7
165.01950	10.0
166.02707	1.2
167.03476	2.6
173.06039	2.7
175.03979	4.2
175.07628	4.5
177.05525	1.3
179.03479	12.3
184.05347	0.9
185.06113	1.3
187.04004	10.5
188.04787	8.2
199.07683	2.0
201.05580	1.0
202.06267	3.9
203.07129	25.5
204.07466	1.4
205.05052	15.8
217.05382	0.7
217.08656	1.6
221.08179	8.4
227.07211	3.6
229.05042	1.0
230.05910	1.6
239.03658	0.7
245.08176	38.5
246.08490	2.5
247.06020	1.9
271.06113	1.5
289.07175	100.0
290.07596	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	289.0387
Annotation	Unknow
Peak:m/z	Relative Intensity
55.45837	0.3
59.01370	0.6
69.35423	2.8
79.95729	4.0
86.83015	0.3
96.96010	100.0
110.97563	0.4
117.24020	0.3
147.08183	0.6
191.07254	0.4
209.08136	0.4
226.24608	0.3
289.03879	18.8
289.20071	0.4
290.04138	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0717
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	5.6
57.15548	0.6
69.03460	1.6
69.46366	4.1
69.46774	1.4
80.02662	0.7
81.03464	5.2
83.01384	6.0
91.04099	0.7
93.03446	3.9
95.01373	1.3
95.05020	6.2
97.02953	11.6
98.20771	0.7
99.04506	0.9
105.80681	0.7
107.04958	1.0
108.02150	0.9
109.02950	45.5
110.03299	1.2
121.02960	6.7
122.03735	2.4
123.00935	0.9
123.04520	32.6
124.04829	1.2
125.01517	1.6
125.02443	31.1
126.02778	1.1
135.04501	3.3
137.02449	16.3
138.03200	1.3
139.04016	7.0
143.04956	0.8
145.02933	2.7
146.03702	2.3
147.04507	1.7
149.02455	7.8
150.03217	2.2
151.02875	1.2
151.04010	14.4
157.06548	1.5
158.03772	1.0
159.04543	4.4
160.05318	2.9
161.02499	2.0
161.06079	8.7
162.03215	1.7
163.04034	2.2
164.01097	5.9
165.01936	7.3
166.02634	1.0
167.03442	2.4
173.06070	1.3
174.03278	0.8
175.04004	4.4
175.07684	3.7
177.05602	0.8
179.03496	12.0
180.03886	0.9
185.06020	2.1
185.47755	0.8
187.04010	7.7
188.04784	6.3
198.32739	0.8
199.07756	1.1
201.05533	1.8
202.06389	3.5
203.07130	22.2
204.07401	1.3
205.05037	14.5
212.04762	1.0
221.08136	6.4
227.07118	3.1
230.05893	1.4
245.08177	37.9
246.08530	2.9
247.06171	1.7
271.06198	1.3
274.60742	0.8
289.07172	100.0
290.07547	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	287.0769
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	4.3
57.03433	2.0
58.32698	0.6
59.01383	4.6
61.24731	0.6
67.01884	2.3
68.99813	1.1
69.03456	100.0
69.87652	0.6
70.03788	1.9
71.01381	14.3
72.99307	3.2
73.02944	2.2
75.00880	4.6
79.01888	4.0
80.96490	0.7
81.03484	0.7
81.07103	1.0
82.02983	2.1
83.01369	3.2
83.05030	1.1
85.02948	4.8
87.00872	5.7
87.06152	0.6
93.03496	0.9
95.01388	3.8
97.02956	21.1
98.20662	1.5
99.00883	28.4
99.01539	1.4
99.04522	0.8
101.02434	1.3
101.06094	7.9
101.98825	0.7
107.01349	0.7
108.16693	0.7
109.02958	1.2
109.06606	0.8
111.00896	3.6
111.04539	2.3
113.02439	3.6
115.00377	0.7
117.01961	1.4
121.02924	0.9
123.00883	2.4
123.04527	0.7
124.01649	0.7
125.02465	4.5
127.00374	15.3
129.01965	1.6
129.05573	2.2
135.00912	0.6
135.02991	9.7
136.94283	0.6
137.02458	2.2
137.09698	1.0
139.00342	1.7
141.01933	11.3
153.01968	0.8
154.99896	4.0
157.01427	4.0
157.03319	1.7
157.05194	0.6
164.03537	0.7
165.09097	0.8
169.01424	1.9
181.01381	1.6
185.00911	39.2
186.01312	1.0
199.02531	1.1
199.09657	1.6
215.02010	1.7
227.12956	0.8
229.03365	0.8
245.09935	0.8
245.13950	2.4
256.36728	0.7
257.05743	0.8
287.04260	9.4
287.07669	3.5
287.10443	16.5
287.14636	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	288.1605
Annotation	Mesembrine
Peak:m/z	Relative Intensity
59.01373	0.7
61.98830	1.6
70.05993	0.9
71.01394	0.4
81.03452	1.7
90.30972	0.2
92.05051	1.3
93.03451	1.9
99.00874	0.3
101.72738	0.2
107.03777	0.5
108.02170	0.7
108.04561	6.3
109.02946	6.1
115.92053	0.3
121.02937	0.7
122.14931	0.2
124.01653	0.4
134.02484	36.1
135.03300	9.3
136.04042	39.7
137.02483	1.7
137.04425	1.4
146.96632	0.6
147.04512	0.3
148.04047	1.3
149.04842	1.5
150.01929	0.3
176.03526	4.3
177.04240	0.9
187.07657	0.3
190.05103	0.4
197.90254	0.3
204.06631	0.3
218.04575	0.3
288.16046	100.0
289.16364	9.5
309.35071	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0561
Annotation	Robtein
Peak:m/z	Relative Intensity
50.33801	2.4
57.03441	14.7
59.01371	7.7
65.00305	3.9
67.01871	3.2
68.05124	2.4
68.99822	4.3
69.03442	7.2
69.41301	20.4
71.01381	15.5
75.00851	5.2
80.96501	3.1
81.03471	3.2
82.02954	4.3
83.01383	19.3
85.02946	6.2
87.00873	7.4
87.15871	2.6
93.03452	7.4
95.01368	2.9
97.02964	5.6
98.19923	5.5
99.00885	6.1
99.04490	3.7
107.01372	5.1
108.02180	4.8
109.02955	40.1
111.00871	3.1
119.05016	3.7
121.02962	24.6
123.00847	3.5
124.01637	12.2
125.01521	5.0
125.02445	100.0
127.00378	24.3
127.08825	2.5
131.05063	3.4
133.02986	5.7
135.02979	8.3
135.04514	9.2
137.02441	86.4
139.03931	2.7
145.02931	3.2
145.06538	3.9
146.03767	3.3
147.04488	12.5
148.05302	2.5
149.02448	35.7
149.06068	6.1
150.03235	12.9
151.04057	14.3
153.01779	2.8
154.99809	4.5
157.01416	5.9
158.03751	4.6
159.04474	14.2
161.02443	28.8
162.03188	4.0
163.04015	6.7
164.01106	8.2
165.01918	29.9
171.04437	3.9
172.05281	7.6
173.06049	20.9
174.03212	8.2
175.03998	53.0
176.04657	5.4
177.01968	12.6
177.05467	13.0
182.03651	2.8
183.04518	7.4
187.03957	3.3
187.07684	3.2
189.05527	10.9
191.07124	7.4
197.06026	7.1
199.04088	5.7
200.04736	7.3
201.01807	3.4
201.05551	44.3
202.05823	5.5
203.03468	23.0
213.05586	4.3
214.06181	3.2
215.03452	3.6
215.07156	10.7
217.04933	15.8
219.06609	27.1
225.05513	8.8
241.05070	7.0
243.02950	6.8
243.06693	23.2
245.04489	7.9
248.84373	2.4
258.05243	9.7
259.06100	60.1
260.06387	3.5
269.04510	16.8
277.59009	3.1
287.05777	83.7
287.10394	18.2
287.14780	4.4
288.05933	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	287.0673
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02716	0.6
57.03442	1.5
59.01376	0.9
70.01331	3.0
71.01383	1.9
73.32337	0.7
83.01391	1.1
85.02943	1.0
87.00901	1.0
99.00893	1.0
103.05382	0.7
107.01466	0.7
111.04595	0.6
117.26687	0.6
125.02444	5.6
127.00382	2.9
131.03824	0.7
135.03052	0.8
137.02507	0.7
145.04071	1.2
146.52530	0.6
151.00386	0.8
152.01173	0.6
154.99818	0.6
157.01407	0.9
157.07712	2.1
171.09219	0.7
173.03578	5.4
181.07721	1.8
183.05618	13.4
201.05475	0.7
215.04617	39.8
216.04906	2.4
243.07823	4.8
259.06165	4.1
276.89984	0.7
287.06738	100.0
288.07019	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	287.041
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	7.7
57.03440	2.7
57.71460	1.3
59.01372	4.8
67.01878	2.4
68.99831	8.0
69.03452	6.5
69.54787	1.1
69.68699	7.1
71.01384	70.9
72.01707	1.3
72.99300	5.4
73.02932	6.5
74.53934	1.3
75.00872	11.3
79.01917	1.6
81.03456	3.7
81.61264	1.1
83.01393	16.6
83.05029	2.4
85.02957	17.5
87.00876	26.9
89.37877	1.1
93.03463	2.4
95.01385	5.1
97.02935	10.1
98.20612	1.4
99.00881	24.7
101.02454	7.0
103.00364	1.3
109.02946	4.5
111.00895	13.9
111.04517	2.3
113.02452	14.9
115.00378	2.8
117.01926	2.8
121.02943	2.1
123.00874	6.0
124.01652	5.4
124.98778	2.0
125.02436	12.7
125.99679	1.7
127.00376	100.0
127.03970	1.9
128.00723	2.5
129.01962	12.1
137.02431	3.7
139.00360	6.6
141.01929	7.0
142.99846	1.7
146.61452	1.2
149.02374	1.4
151.00388	2.3
153.01917	5.7
154.99869	23.1
155.03470	2.0
157.01421	21.2
165.01907	2.2
166.99898	1.6
169.01425	8.6
171.02975	1.6
179.20016	1.4
181.01433	7.2
185.00902	5.0
188.01611	1.3
197.00937	3.4
199.02519	3.5
209.00937	1.2
211.02545	1.7
214.01117	2.1
215.02014	5.0
229.03595	4.3
239.01839	1.7
257.03067	2.0
287.04086	60.1
287.07263	2.5
288.04492	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	287.0562
Annotation	Eriodictyol chalcone
Peak:m/z	Relative Intensity
52.50820	0.8
55.01868	1.7
57.03195	1.2
57.03452	17.2
59.01394	2.0
63.02406	4.6
65.00325	7.6
66.92605	0.8
67.01886	1.0
68.99816	2.2
69.03461	1.2
69.44244	1.6
69.44650	4.4
71.01384	12.8
71.46556	0.7
72.99316	1.6
73.02969	1.4
75.00892	1.3
81.03448	5.4
83.01386	13.4
83.05042	0.8
85.02959	3.0
87.00880	5.5
91.22752	0.7
93.03456	3.6
95.01379	1.4
97.02949	1.6
99.00879	4.3
101.02467	1.2
107.01398	5.7
107.05019	1.2
109.02949	3.6
111.00888	3.2
113.02464	3.1
116.95525	0.8
121.02924	1.3
122.66167	0.8
123.00881	2.2
123.04531	1.5
124.01648	2.8
124.07623	1.0
125.02448	100.0
126.02759	2.9
127.00372	17.5
129.01932	2.0
131.04994	1.6
133.02965	3.4
134.03761	2.0
135.04509	2.6
136.84009	0.9
137.02467	1.3
139.00392	2.3
141.01869	1.1
143.05014	0.8
147.04443	1.0
149.06105	1.0
151.00374	14.9
152.01152	10.2
153.01945	4.5
154.99864	3.2
155.03455	0.8
156.05785	0.9
157.01366	3.8
157.06554	2.1
159.04477	2.2
169.01433	2.3
172.05273	1.2
173.06087	5.9
177.05551	12.6
178.99828	7.7
181.01474	1.8
181.30910	0.8
197.00905	1.1
197.05992	1.1
199.02498	1.8
199.07649	2.9
201.05547	10.0
203.03430	1.2
204.19698	0.9
213.05524	1.3
215.01900	1.5
215.07083	6.0
219.06609	1.9
229.03383	0.9
241.04991	2.1
243.06625	13.9
259.06100	71.3
260.06409	4.7
267.27957	0.9
269.04495	3.1
287.05792	42.9
287.14099	1.1
287.18616	2.0
288.05881	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	287.0409
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	5.9
57.03455	3.8
59.01378	4.6
65.00339	0.9
65.03970	0.7
67.01894	3.2
68.99818	8.1
69.03468	7.0
69.46577	0.7
69.73566	2.6
69.73965	1.4
71.01383	67.0
72.01733	1.1
72.99306	6.8
73.02948	7.8
75.00877	11.2
81.03461	3.6
83.01385	14.8
83.05025	1.5
85.02953	18.1
87.00877	25.9
89.02441	1.4
93.03452	1.9
95.01389	6.4
95.05054	1.1
96.99328	1.0
97.02956	7.6
99.00883	21.9
99.04533	1.9
101.02444	7.3
103.00372	1.3
108.02145	0.8
109.02958	6.0
111.00895	10.9
111.04517	2.3
112.98818	1.3
113.02451	10.4
115.00371	2.5
117.01945	2.7
120.36745	0.6
121.02951	2.2
123.00871	5.5
123.04530	1.5
124.01672	1.1
124.98812	1.8
125.02459	10.6
125.99556	1.0
127.00377	100.0
127.03996	1.8
128.00723	1.9
129.01938	7.9
135.00911	0.7
137.02432	3.3
137.99594	0.7
139.00388	8.3
139.04010	2.7
140.01140	1.4
141.01923	7.3
149.02475	1.0
151.00331	1.4
153.01962	4.2
154.99873	23.2
155.03473	1.0
156.00526	1.5
157.01421	22.2
158.01698	0.8
163.00310	0.9
165.01921	1.9
166.99843	2.4
167.03331	0.9
168.00598	0.6
168.65175	0.7
169.01425	7.7
171.03001	2.1
173.01059	0.7
175.02464	1.0
178.99893	1.3
181.01418	6.3
185.00922	5.5
193.01431	1.5
197.00908	3.2
199.02507	3.5
209.00908	1.8
211.02480	2.3
214.01135	1.6
215.01935	5.8
219.01387	0.6
227.01819	0.8
229.03497	4.1
257.02979	2.4
269.02890	1.6
287.04083	58.8
288.04437	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	287.0409
Annotation	Furamizole
Peak:m/z	Relative Intensity
50.70316	1.0
55.01876	5.1
57.03429	3.2
59.01362	3.0
63.17950	1.0
65.00329	1.3
65.03988	1.1
67.01882	2.8
68.99819	9.0
69.03458	6.4
69.97529	4.1
69.97939	1.8
71.01381	50.5
72.99306	5.9
73.02945	5.5
75.00865	10.6
79.01874	1.4
81.03453	3.3
83.01386	13.5
83.05002	1.4
85.02948	15.0
87.00877	26.7
93.03474	1.7
95.01368	6.4
95.07805	1.1
96.99323	1.0
97.02957	6.3
99.00882	20.5
99.04537	1.4
101.02445	6.7
103.00385	1.0
108.02180	1.0
109.02940	4.6
111.00884	9.9
111.04529	2.3
111.94136	1.0
113.02444	10.5
115.00358	2.4
117.01978	2.8
121.02983	1.8
123.00867	5.7
124.98743	2.4
125.02451	29.3
125.99593	1.6
127.00372	100.0
127.03982	2.1
128.00676	2.0
129.01930	8.5
137.02408	2.3
139.00349	5.9
139.04059	1.5
139.05148	4.8
141.01935	8.8
151.00314	2.0
153.01924	3.8
154.99869	17.4
157.01424	20.4
165.01871	1.7
166.99820	1.5
167.04633	7.5
167.26581	1.5
169.01443	9.1
171.03052	1.6
181.01436	6.9
181.95679	1.0
185.00905	5.1
197.00957	3.0
199.02501	4.8
209.00906	1.7
211.02509	2.7
215.01956	5.4
229.03513	3.2
233.28590	1.0
248.29362	1.0
257.03101	2.1
287.04086	54.4
287.08826	8.7
288.04361	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	287.041
Annotation	Furamizole
Peak:m/z	Relative Intensity
52.18119	1.1
55.01878	5.1
57.03439	3.6
59.01383	5.4
67.01897	2.6
68.99816	9.7
69.03456	5.5
69.37618	3.9
69.38022	6.3
71.01385	41.1
72.99315	5.4
73.02943	7.2
75.00874	6.0
79.01893	1.5
81.03474	3.5
82.02978	1.5
83.01386	11.5
85.02955	17.6
87.00878	47.4
88.01206	1.7
93.03429	1.2
95.01385	4.0
97.02961	6.8
98.19879	1.8
99.00878	16.2
101.02482	6.0
109.02967	4.2
111.00878	12.9
111.04478	1.6
113.02446	10.9
115.00375	2.6
117.01950	1.8
123.00870	4.2
124.98747	1.6
125.02450	12.3
125.99632	1.9
127.00375	100.0
128.00685	2.9
129.01915	12.3
137.02449	3.6
139.00345	6.2
140.76714	1.2
141.01953	9.0
149.02504	1.3
151.00423	2.6
153.01952	4.6
153.03137	1.2
154.99867	11.8
157.01419	21.6
166.99908	1.3
169.01445	15.7
181.01408	8.0
185.00908	3.5
193.01459	1.5
196.18869	1.2
199.02483	8.1
211.02531	1.6
215.01939	3.6
229.03560	5.1
254.39157	1.3
257.03131	1.9
287.04062	36.2
287.10867	2.7
287.14633	1.3
288.04492	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	285.2071
Annotation	Hexadecanedioic acid
Peak:m/z	Relative Intensity
57.03434	1.8
59.01366	2.3
61.98811	1.1
65.61653	0.6
70.13729	1.4
70.14121	2.0
78.95914	1.0
84.96271	0.7
93.03472	0.9
99.00912	0.7
123.04480	2.1
157.58124	0.6
180.49219	0.6
221.19139	1.1
223.20663	65.2
224.20969	4.7
241.21725	2.7
257.04706	0.7
267.19644	38.6
268.19968	2.6
285.04086	7.8
285.20703	100.0
285.27148	2.1
286.04370	1.4
286.21027	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	286.2387
Annotation	Prosopinine
Peak:m/z	Relative Intensity
57.23574	0.4
58.60775	0.4
59.01360	0.4
62.69509	0.4
63.98201	0.4
70.02958	1.4
70.39711	1.0
70.40073	0.7
71.01395	0.9
73.86870	0.4
74.06107	2.3
83.94930	0.4
87.00883	0.5
88.98080	0.4
89.39977	0.4
91.40706	0.4
96.82145	0.4
97.02887	0.4
99.00927	0.6
114.64104	0.5
118.05109	0.9
127.00406	1.1
233.61754	0.4
240.23285	2.9
242.21170	1.8
268.22821	1.4
286.23865	100.0
287.03915	0.5
287.24219	7.7
293.88397	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0409
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90164	1.4
55.01859	4.9
57.03434	3.4
58.76668	1.1
59.01384	6.5
67.01857	2.3
68.99811	9.0
69.03471	6.4
69.48835	9.3
69.49176	1.4
71.01382	49.0
72.99295	5.9
73.02955	6.5
75.00890	6.9
79.01917	1.5
81.03467	2.9
83.01392	13.4
84.89377	1.1
85.02952	15.1
87.00878	41.3
93.03466	1.6
95.01366	6.2
96.99333	1.9
97.02930	4.7
98.19892	2.4
99.00883	20.6
99.04531	2.3
101.02446	6.0
107.77442	1.3
109.02945	4.2
111.00896	9.3
111.04534	1.7
113.02462	12.3
115.00359	3.3
117.01936	1.9
123.00865	5.0
123.04351	1.4
124.98784	1.9
125.02445	11.2
127.00372	100.0
127.03938	2.2
128.00650	2.0
129.01962	11.3
137.02368	1.7
139.00357	6.4
139.03954	1.4
141.01945	12.3
151.00319	1.8
153.01917	4.8
154.99876	16.6
155.83446	1.2
157.01407	18.7
166.99846	1.7
169.01389	13.8
181.01413	6.4
185.00903	2.8
199.02486	7.5
211.02570	2.3
213.74461	1.5
215.01904	4.4
229.03477	4.2
257.02954	1.6
287.04062	45.8
288.04630	2.4
303.12567	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1133
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49282	0.5
51.96519	0.6
55.22769	0.6
56.67108	0.6
59.01378	74.3
60.01702	0.9
61.98849	0.8
63.02390	1.2
63.35998	0.5
65.00318	1.5
71.01375	0.9
72.18485	0.5
72.99303	0.9
81.85200	0.6
83.01381	1.5
83.05018	1.1
93.03450	3.3
97.06570	0.6
107.01398	1.8
109.02931	2.0
111.08175	1.3
117.03470	1.9
120.23836	0.6
121.02945	1.7
123.04529	3.1
129.01993	0.6
130.04247	0.9
133.06592	8.3
137.02454	1.3
139.00348	0.8
143.04987	1.4
145.02916	1.0
151.00356	3.2
152.37575	0.7
154.04277	0.7
154.99840	1.1
159.04459	1.0
163.00389	0.9
169.06567	1.0
171.04535	1.5
173.02356	1.1
182.07368	0.6
185.06061	2.2
187.03967	3.1
195.11780	7.8
196.12230	1.1
197.13329	2.8
199.03712	0.7
201.05406	0.7
211.03993	1.5
211.11276	1.3
211.13286	0.8
213.05592	1.2
214.02798	0.9
215.03590	0.9
229.05052	2.5
239.03519	2.0
239.10735	1.5
240.04065	0.8
241.05038	1.1
241.12309	5.1
255.02910	1.2
255.59045	0.7
257.04559	1.4
285.04041	100.0
285.10956	11.4
285.17151	2.5
285.20288	1.3
285.27032	1.4
286.04343	7.6
286.11642	1.6
293.73132	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55245	0.7
53.24260	0.7
54.05123	0.7
59.01379	30.5
83.05017	1.5
88.18459	0.7
93.03430	1.1
97.31021	0.9
98.20696	1.7
107.01438	0.7
117.89205	0.8
139.11299	2.2
163.11278	0.8
165.12883	1.0
179.14392	2.0
181.12376	1.0
195.13895	1.0
197.15472	19.7
225.11528	1.4
225.14957	19.0
228.03841	2.2
243.16000	100.0
244.16359	5.8
256.03296	1.9
285.03998	11.7
285.13867	1.5
285.17084	7.0
286.04407	1.4
286.17297	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.155
Annotation	Unknow
Peak:m/z	Relative Intensity
57.00985	1.3
57.03442	4.1
59.01374	5.7
65.70432	1.5
69.03453	3.5
69.64147	5.8
69.64558	2.9
71.01388	8.7
71.05016	2.4
72.02164	17.2
72.66467	1.3
73.02926	1.7
73.04837	1.3
83.05023	9.4
85.13580	1.3
87.04514	18.8
93.80666	1.3
97.06588	2.5
98.03722	6.4
98.19895	2.4
99.04544	4.3
111.08143	5.8
123.08152	2.5
123.16050	1.5
149.09688	2.2
151.11221	2.5
165.12840	11.3
167.14456	7.7
195.13846	4.6
197.15445	22.0
198.15648	1.5
203.14476	2.3
211.17046	2.8
221.15413	4.1
239.16518	100.0
240.16824	8.5
241.14442	6.7
270.72745	1.7
283.15479	5.5
283.26456	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	283.1704
Annotation	4,4-Bis(4-hydroxyphenyl)heptane
Peak:m/z	Relative Intensity
59.01374	1.0
62.23588	0.4
62.25127	0.4
70.99094	0.8
71.01390	0.6
93.68706	0.4
97.95520	0.4
107.05031	100.0
108.05359	2.6
115.18895	0.5
162.42839	0.4
163.11287	94.2
164.11633	4.9
237.14160	0.4
283.17041	79.0
283.22888	2.0
283.26379	31.0
284.17368	7.4
284.26849	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0405
Annotation	Kaempferol
Peak:m/z	Relative Intensity
59.01376	2.4
63.02393	1.0
65.00314	1.0
67.01878	0.2
79.01878	0.3
83.01400	1.1
91.01870	0.2
93.03454	3.0
95.01396	0.7
98.19888	0.5
107.01405	1.7
108.02172	0.7
109.02953	1.1
115.05497	0.2
117.03419	0.9
119.01423	0.3
121.02912	0.4
122.85605	0.2
123.00871	0.4
123.04508	0.7
124.01624	0.2
130.04274	0.3
131.05032	0.7
133.02989	0.6
133.06563	0.3
135.00873	0.7
136.01654	0.3
137.02458	0.9
143.05019	1.6
145.02963	1.1
151.00357	2.3
154.04274	0.9
155.04999	0.8
156.05800	0.3
157.02974	0.4
157.06587	1.1
158.03731	0.3
159.04529	2.0
161.02446	0.8
163.00359	0.7
164.01187	0.4
165.01907	0.4
167.04979	0.7
168.05814	0.4
169.01350	0.2
169.06561	1.2
171.04527	1.4
173.02444	0.7
173.06088	0.4
183.04633	0.8
184.05241	0.4
185.06084	2.3
187.04002	1.9
189.05527	0.4
192.00598	0.3
195.04549	0.6
195.11740	0.4
198.03088	0.3
199.04037	0.4
201.05559	0.7
210.03316	0.2
211.03998	1.3
212.04657	0.3
213.05560	0.7
214.02724	1.0
215.03499	0.8
219.03049	0.4
227.03459	0.8
228.03880	0.2
229.05070	2.1
239.03450	1.7
240.04233	0.5
241.04936	0.4
243.02953	0.9
255.03006	0.6
256.03781	0.3
257.04559	1.2
267.03003	0.2
268.03757	0.3
284.03436	0.2
284.26743	0.2
285.04034	100.0
286.04388	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1036
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	2.1
57.03442	3.3
58.00592	2.2
59.01381	100.0
71.01385	44.1
71.54050	1.3
71.54414	1.2
72.99311	3.4
73.02947	7.7
73.64174	0.9
74.99096	12.4
83.01389	4.7
85.02948	14.2
87.00875	4.4
89.02449	48.1
95.01391	3.8
97.02941	1.1
99.00891	3.0
101.02444	39.8
102.98608	2.1
111.00970	1.2
113.02447	19.8
119.03506	18.4
120.87213	1.1
121.05076	26.5
127.14971	1.0
131.03526	2.9
133.05098	1.5
138.03261	1.2
143.03532	4.4
149.04578	2.0
150.03206	1.7
159.02975	3.3
161.04568	18.4
161.72981	1.2
165.05591	1.5
179.05635	8.3
195.03285	1.3
195.06664	1.8
209.93282	1.0
223.08221	9.4
283.05038	2.3
283.07520	2.3
283.10364	37.5
283.26407	10.9
284.10611	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.155
Annotation	Unknow
Peak:m/z	Relative Intensity
57.00985	1.3
57.03442	4.1
59.01374	5.7
65.70432	1.5
69.03453	3.5
69.64147	5.8
69.64558	2.9
71.01388	8.7
71.05016	2.4
72.02164	17.2
72.66467	1.3
73.02926	1.7
73.04837	1.3
83.05023	9.4
85.13580	1.3
87.04514	18.8
93.80666	1.3
97.06588	2.5
98.03722	6.4
98.19895	2.4
99.04544	4.3
111.08143	5.8
123.08152	2.5
123.16050	1.5
149.09688	2.2
151.11221	2.5
165.12840	11.3
167.14456	7.7
195.13846	4.6
197.15445	22.0
198.15648	1.5
203.14476	2.3
211.17046	2.8
221.15413	4.1
239.16518	100.0
240.16824	8.5
241.14442	6.7
270.72745	1.7
283.15479	5.5
283.26456	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	283.1036
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	2.1
57.03442	3.3
58.00592	2.2
59.01381	100.0
71.01385	44.1
71.54050	1.3
71.54414	1.2
72.99311	3.4
73.02947	7.7
73.64174	0.9
74.99096	12.4
83.01389	4.7
85.02948	14.2
87.00875	4.4
89.02449	48.1
95.01391	3.8
97.02941	1.1
99.00891	3.0
101.02444	39.8
102.98608	2.1
111.00970	1.2
113.02447	19.8
119.03506	18.4
120.87213	1.1
121.05076	26.5
127.14971	1.0
131.03526	2.9
133.05098	1.5
138.03261	1.2
143.03532	4.4
149.04578	2.0
150.03206	1.7
159.02975	3.3
161.04568	18.4
161.72981	1.2
165.05591	1.5
179.05635	8.3
195.03285	1.3
195.06664	1.8
209.93282	1.0
223.08221	9.4
283.05038	2.3
283.07520	2.3
283.10364	37.5
283.26407	10.9
284.10611	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1395
Annotation	Merrillianone
Peak:m/z	Relative Intensity
55.01875	0.9
57.03452	6.9
58.00594	1.1
59.01379	4.3
65.03958	0.6
67.01881	0.4
69.03464	1.4
69.19633	3.0
69.19964	0.4
70.85577	0.3
71.01047	0.4
71.01388	3.6
71.05016	0.4
72.02170	0.6
73.02947	5.6
75.09568	0.2
79.05543	0.8
80.02666	0.3
81.03452	2.3
83.01382	2.2
83.05025	6.9
84.80547	0.3
85.02953	10.4
87.04517	1.1
93.03467	1.3
95.05022	3.1
96.24866	0.3
97.02953	2.0
97.06592	12.0
98.03745	0.7
98.06925	0.4
98.20601	0.6
99.04514	1.0
101.02432	0.5
106.04269	0.5
107.05003	0.7
108.02154	0.4
108.68893	0.3
109.02956	4.8
109.06628	0.7
111.04526	2.1
111.08116	0.4
113.06087	0.5
119.05038	0.5
119.08649	0.7
120.05811	1.2
121.02951	1.0
121.06606	4.0
122.03762	1.3
123.04547	4.1
123.08169	4.9
125.02415	0.6
125.09734	0.8
133.06564	0.3
135.04504	0.5
135.08168	2.5
137.06084	1.6
137.09718	6.0
139.04016	0.6
139.07640	2.7
141.05582	1.3
141.09192	0.7
147.08121	0.5
148.05338	1.7
149.09735	0.7
151.03973	1.0
151.11282	4.4
152.11635	0.4
153.05640	0.4
161.09734	4.1
163.07671	1.9
163.11273	1.2
164.04770	0.3
164.07852	0.4
165.05536	1.2
165.09187	2.1
165.12950	0.3
175.11293	1.3
177.09164	0.4
177.12856	0.7
179.10773	6.5
180.11053	0.4
183.06619	2.8
183.10219	0.5
185.09694	0.4
189.09227	1.6
189.12827	0.9
191.14410	0.8
193.12363	0.6
195.10281	0.9
201.12828	1.7
204.11552	0.3
207.10262	20.5
208.10600	0.9
209.11812	0.5
219.13858	1.2
221.11801	0.5
225.11479	0.3
233.08073	0.3
235.13583	0.3
237.11258	0.3
237.14891	0.5
263.12851	0.4
264.12787	0.2
281.13937	100.0
282.14291	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	281.2123
Annotation	6-Oxabicyclo[3.1.0]hexane-2-undecanoic acid methyl ester
Peak:m/z	Relative Intensity
57.03453	2.0
59.01382	17.1
61.98823	6.9
65.91090	1.6
71.01371	8.5
71.09351	2.1
71.45871	1.3
73.02924	2.3
83.01384	1.3
85.02932	2.9
85.55928	1.3
89.02443	4.8
101.02428	5.7
113.02428	2.9
116.92858	7.0
125.09748	2.5
129.22202	1.2
137.02446	1.7
146.96652	2.0
161.04535	4.2
171.08803	2.5
171.10263	44.7
217.87044	4.2
240.18619	1.3
263.20132	57.8
264.20462	4.5
280.86505	1.3
281.12262	2.1
281.14545	2.0
281.21204	100.0
281.24536	5.8
282.21609	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	281.1394
Annotation	Merrillianone
Peak:m/z	Relative Intensity
57.03447	7.4
59.01382	21.7
69.03468	1.7
69.44376	8.6
71.01384	5.4
71.05010	1.3
71.48544	1.0
72.99329	1.5
73.02948	5.1
81.03464	1.5
83.01375	2.7
83.05025	7.6
85.02956	7.9
89.02435	2.2
93.03432	1.1
95.05024	3.7
97.02959	2.6
97.06581	12.4
99.04509	2.7
101.02460	2.0
107.05012	1.1
108.02161	1.2
109.02950	4.4
111.04583	1.2
121.06601	3.6
123.04515	4.4
123.08171	3.7
130.37996	1.1
135.08171	3.0
137.09729	16.7
139.07629	3.3
148.05287	1.8
151.04047	1.1
151.11285	19.2
161.09674	4.0
163.07664	1.6
163.11324	1.3
165.05661	1.3
165.09154	2.7
175.11327	1.7
177.12836	8.6
178.10022	2.1
179.10812	6.3
183.06612	1.8
188.02017	1.2
188.37793	1.2
189.09239	2.0
193.12338	6.5
207.10246	18.6
208.10535	2.1
219.14043	1.2
221.11806	8.7
237.09276	2.1
237.14864	1.1
239.12885	87.9
240.13193	5.3
246.57866	1.2
275.08545	1.0
281.13947	100.0
282.14185	7.0
285.35254	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2327
Annotation	Linoleic acid
Peak:m/z	Relative Intensity
59.01359	1.2
61.98846	0.4
67.71966	0.4
71.01398	0.7
72.28090	0.4
85.02976	0.5
96.96011	2.4
98.20667	1.1
101.02460	0.5
155.37085	0.4
164.30815	0.5
229.23372	0.4
279.17041	2.2
279.23279	100.0
280.23627	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	279.2327
Annotation	Linoleic acid
Peak:m/z	Relative Intensity
51.44651	0.4
60.74578	0.3
71.17423	0.9
72.33855	0.4
137.87624	0.4
170.76584	0.4
179.21281	0.4
279.23288	100.0
280.23590	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	281.1241
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	6.6
57.03461	5.9
58.00600	2.5
59.01379	99.5
63.87569	1.5
71.01380	100.0
71.53671	2.3
71.54059	1.6
72.99311	3.8
73.02951	22.2
75.00890	1.8
83.01393	10.8
85.02956	35.8
87.00874	8.6
87.04523	5.1
89.02441	57.3
94.50783	1.8
95.01381	7.2
97.02939	2.7
99.00877	5.6
101.02443	77.8
101.06073	2.3
102.02825	1.9
103.03955	2.1
113.02451	36.2
119.03507	21.4
119.07135	16.5
125.02458	2.4
133.05077	37.1
143.03487	4.8
150.04256	3.8
159.02974	5.7
161.04558	38.7
177.42409	1.9
179.05597	6.0
196.54674	1.6
281.12372	31.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	8.4
59.01381	24.3
69.43896	7.5
71.01376	2.8
73.02972	1.6
75.67102	0.9
83.05082	1.2
85.02939	1.3
87.62833	0.9
89.02406	1.1
98.19901	1.9
108.02197	0.9
113.02469	0.9
119.08657	6.3
121.06600	2.8
126.13301	0.9
132.90242	0.9
133.01472	0.9
137.02460	1.1
137.09724	44.0
149.09660	1.2
150.21140	1.0
161.09718	2.7
166.37627	1.1
175.11389	1.1
177.12811	8.1
217.95128	0.9
221.11890	5.4
235.07680	1.2
237.09207	2.3
237.11375	1.5
239.12883	100.0
240.13321	5.6
263.83133	0.9
281.14041	12.4
281.17459	1.4
281.24759	1.5
282.14218	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	279.1085
Annotation	Hymenoside M
Peak:m/z	Relative Intensity
55.01898	0.9
57.03446	1.4
57.43552	0.7
58.00587	1.8
59.01380	56.7
59.96510	0.6
69.43149	5.6
71.01385	28.3
71.05022	6.2
72.99310	1.6
83.01379	2.0
85.02940	5.5
89.02443	29.6
95.01391	2.6
99.04518	23.2
101.02438	19.1
113.02449	9.8
116.42493	0.8
117.05583	38.2
119.03501	13.1
119.04984	1.1
120.99672	0.9
131.07050	1.1
141.33749	0.8
143.03508	1.1
145.06590	1.4
159.06627	1.4
161.04517	1.6
163.03966	1.0
173.06047	3.1
179.05583	2.0
217.05089	0.8
261.04077	2.3
279.05032	3.8
279.10843	100.0
280.11188	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	279.1965
Annotation	Chabrolol B
Peak:m/z	Relative Intensity
50.12568	1.5
51.76639	1.5
53.96872	1.4
59.01377	8.9
61.98833	2.3
71.01385	3.7
71.55405	2.3
83.47083	1.8
85.02937	3.1
85.06539	1.4
92.52325	1.7
98.98172	1.8
101.02428	3.1
107.08668	43.8
113.02431	2.7
117.05555	2.1
125.09709	1.7
127.11240	1.6
139.93192	1.6
163.14941	2.0
171.10260	89.2
172.10623	3.1
189.93039	3.2
212.62364	1.9
217.19644	8.1
261.18579	100.0
262.18839	8.1
277.00778	1.6
279.16470	2.9
279.19647	60.2
279.23163	17.1
280.19940	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	279.2328
Annotation	Linoleic acid
Peak:m/z	Relative Intensity
50.19599	0.4
51.95733	0.4
59.01376	1.7
61.98841	0.4
71.01382	1.0
71.54774	0.6
78.34595	0.4
78.97399	0.4
82.67511	0.4
89.02481	0.5
91.88019	0.4
92.80609	0.4
93.15962	0.4
96.96018	4.2
101.02431	0.8
113.39597	0.4
113.72345	0.5
147.22231	0.4
163.00374	0.5
204.35431	0.4
226.42007	0.4
264.36325	0.4
279.16879	3.5
279.23282	100.0
280.23651	8.8
289.30356	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2326
Annotation	Linoleic acid
Peak:m/z	Relative Intensity
55.25952	0.3
59.01363	1.7
61.98829	0.5
68.01426	0.4
68.72810	0.3
70.59563	0.8
70.59895	0.6
71.01375	1.1
71.04978	0.3
73.02927	0.6
74.93533	0.3
78.61053	0.3
85.02950	0.4
101.02359	0.3
117.05482	0.4
123.08168	0.5
235.17003	1.5
279.23273	100.0
280.23621	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	279.1085
Annotation	Hymenoside M
Peak:m/z	Relative Intensity
55.01868	1.6
58.00583	4.8
59.01379	100.0
60.01725	1.4
69.74854	6.2
71.01382	56.9
71.05016	10.0
72.99300	5.1
73.02959	2.1
78.69328	1.0
83.01392	2.8
85.02950	9.0
87.00867	4.5
89.02447	69.6
95.01376	4.2
98.19893	2.2
99.00876	1.6
99.04517	20.3
101.02438	33.2
113.02447	23.0
117.05581	48.5
118.05980	1.4
119.03504	28.6
119.04955	3.3
129.28569	1.5
130.69882	1.2
131.03505	2.2
131.05066	1.6
131.07167	1.7
143.03563	2.0
145.06601	3.0
149.04529	2.9
161.04555	3.7
163.04036	2.8
173.06099	12.0
179.05553	4.3
179.43219	1.1
194.25957	1.2
235.06380	1.6
261.04056	5.6
279.05170	20.2
279.10855	91.9
280.11194	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	277.2172
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
58.62551	0.2
59.01070	0.2
59.01376	4.7
61.98835	0.3
69.40768	0.6
69.41193	1.0
71.01372	0.9
78.04574	0.2
111.59807	0.2
121.02893	0.3
127.07644	0.3
134.03769	0.2
174.89122	0.2
175.42242	0.2
205.15962	0.9
211.71371	0.2
212.16862	0.2
233.19131	0.5
233.22795	0.7
259.20639	0.7
275.20178	0.5
277.18298	6.9
277.21686	100.0
278.18573	0.7
278.22040	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	277.2171
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
56.57153	0.3
59.01371	0.7
69.82523	1.6
79.37952	0.3
93.78885	0.3
107.81031	0.3
219.35570	0.3
233.22791	0.6
275.20084	0.6
277.21710	100.0
278.22070	5.4
293.63986	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.0512
Annotation	Diaportinic acid
Peak:m/z	Relative Intensity
55.01866	0.9
57.03452	1.4
58.00584	0.6
59.01381	10.1
67.01919	0.5
68.99818	36.5
69.03472	0.5
70.12624	0.5
71.01384	11.6
71.05027	0.5
71.55132	0.7
72.99301	1.7
73.02957	3.6
79.63385	0.5
82.02977	0.8
82.89796	0.5
83.01379	2.4
85.02945	5.3
87.00880	2.0
89.02449	3.5
89.33611	0.5
93.03461	0.9
95.01392	1.6
96.96053	1.2
96.99312	54.1
97.99611	0.7
98.02512	0.7
99.00906	1.5
99.04525	0.9
101.02448	8.5
101.04279	0.7
111.00827	0.7
113.02468	4.4
117.03427	1.3
117.05569	1.0
119.03504	1.9
119.05022	6.8
121.02958	100.0
122.03257	3.1
122.06111	0.7
131.05081	1.1
131.07169	0.6
133.06593	2.5
135.04529	8.1
137.02408	0.8
143.05017	0.7
145.06606	1.8
147.04532	7.8
149.02403	0.6
149.06395	2.8
150.05658	0.7
159.04478	0.7
159.08185	0.8
161.04559	3.8
161.06075	2.6
161.08179	0.7
163.04013	5.5
163.94154	0.5
166.02667	0.9
173.02370	1.0
173.06097	2.2
175.04015	3.4
176.01083	0.8
177.05548	0.7
181.05081	1.2
189.05608	4.8
191.03519	7.6
191.07164	1.7
200.70978	0.5
217.05112	1.0
219.02968	8.0
235.09753	0.8
237.07986	0.8
250.52625	0.6
261.04147	1.5
279.05099	49.6
279.11917	1.3
279.23251	2.4
280.05469	2.7
280.08249	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	10.1
60.97494	0.6
61.98809	0.8
63.44333	0.6
70.18334	0.7
71.01361	2.1
75.91381	0.6
88.89749	0.5
98.19848	1.3
103.02183	1.1
121.03030	3.2
132.37367	0.5
146.61836	0.6
146.99397	0.6
147.08434	3.3
153.13213	0.6
164.99306	0.7
165.00439	7.1
166.53503	0.5
184.00340	0.5
191.03958	0.9
191.05617	7.5
205.07126	0.9
205.16023	1.4
230.11578	0.7
233.10323	66.9
233.22572	1.2
234.10504	4.5
277.16437	50.2
277.21634	100.0
278.16705	4.5
278.21994	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	277.217
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
59.01105	0.2
59.01377	2.6
59.63823	0.1
69.27071	1.3
71.01368	0.7
78.83453	0.1
83.05017	0.2
94.89928	0.1
98.19878	0.3
110.19479	0.1
113.06054	0.1
119.05053	0.2
127.07637	0.4
188.84471	0.1
205.15985	0.4
233.22720	0.5
259.20663	0.6
275.20020	0.6
277.21689	100.0
278.18927	0.3
278.22043	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	277.2171
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	2.6
61.98825	0.2
71.01379	0.6
83.05038	0.2
90.31468	0.2
96.02210	0.2
100.55125	0.2
127.07655	0.4
155.14450	0.2
177.09349	0.2
205.16031	0.4
215.34888	0.2
233.22784	0.5
259.20752	0.5
275.20129	0.5
277.21704	100.0
278.18964	0.2
278.22037	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	276.918
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70394	0.2
53.92502	0.2
54.59076	0.2
59.01373	0.4
59.36215	0.2
67.49468	0.2
71.52814	0.2
76.75446	0.2
77.15575	0.2
78.95904	2.2
79.95746	0.4
96.95379	0.4
96.96011	7.6
96.96959	0.5
102.13096	0.2
106.94857	0.2
134.96097	0.8
134.97046	8.2
135.97078	0.4
136.94008	100.0
137.94084	5.3
154.95094	0.4
176.98134	2.2
177.98141	0.2
178.95059	2.3
193.23425	0.2
216.89668	79.0
217.89722	5.0
234.90727	23.8
234.97110	0.2
235.90796	1.5
237.67894	0.2
247.87131	0.3
276.91766	1.2
276.98340	4.7
277.21765	1.5
277.98593	0.4
294.85165	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.0928
Annotation	Tuliposide A
Peak:m/z	Relative Intensity
52.05836	1.7
55.01875	11.1
57.03443	5.0
58.00602	2.1
59.01377	45.2
69.58320	4.9
69.58724	6.0
71.01379	100.0
71.05018	6.5
72.99323	2.1
73.02945	28.8
81.94563	1.8
83.01376	11.7
85.02946	51.7
87.00873	4.4
89.02444	12.8
89.03993	1.9
95.01373	10.3
97.02930	2.0
99.00878	12.4
101.02441	65.0
102.02772	2.1
108.18896	2.0
113.02454	39.0
113.03241	1.9
115.04021	49.5
119.03409	2.2
125.02454	2.4
130.69316	1.9
143.03470	2.0
159.02985	9.1
161.04565	35.3
185.66185	1.8
207.76060	2.0
230.97243	1.9
233.10286	9.0
277.09344	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	275.2016
Annotation	coniferonic acid
Peak:m/z	Relative Intensity
59.01373	4.1
71.11949	6.8
73.02974	3.3
73.20523	3.6
117.46426	3.0
160.69705	3.7
172.46655	3.0
179.59155	3.0
231.21179	100.0
232.21477	8.7
275.13803	3.2
275.17133	5.2
275.20117	37.6
276.20462	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	276.0877
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07547	1.9
54.10272	1.7
57.63868	1.7
58.02969	6.9
59.01376	10.4
71.01388	2.2
71.73782	1.8
73.63931	1.7
78.56049	1.9
82.02973	5.6
84.04542	11.8
85.02967	4.9
86.34418	1.9
92.05029	2.2
100.04053	7.3
102.05548	1.9
103.05524	4.6
119.05044	4.0
128.03531	13.6
128.05052	2.6
130.06628	24.3
131.03813	2.1
131.05029	10.0
133.26137	2.1
137.34961	1.7
144.04546	9.9
145.06781	2.5
146.06122	53.6
147.04518	61.0
147.06378	3.2
148.03949	2.9
155.43080	2.0
158.06071	4.5
174.05579	25.3
186.05650	2.2
186.09225	39.5
187.09631	2.8
188.10782	20.1
190.05098	20.0
196.07735	1.9
214.08778	14.7
232.09769	74.7
233.10138	2.0
258.07706	49.6
259.07986	2.5
276.08765	100.0
277.08899	8.5
277.21750	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	273.0747
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59633	40.8
71.01410	50.5
79.88677	41.2
80.91661	100.0
82.85586	40.9
83.01388	65.9
86.46302	41.7
98.40783	44.6
111.00888	98.0
112.04057	72.5
138.05811	42.3
149.90634	50.2
168.04720	54.1
233.21094	47.7
237.98604	42.2
260.18674	43.1
273.06470	99.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.1137
Annotation	Clandonensine
Peak:m/z	Relative Intensity
57.03449	3.7
58.02977	3.7
59.01110	0.9
59.01386	14.5
69.03459	1.0
69.98697	3.0
70.91959	0.8
71.05015	6.2
72.99298	2.1
73.02950	1.0
81.03455	1.6
83.05017	1.2
84.04542	1.0
85.62027	0.7
97.06601	1.0
98.20006	1.2
99.04510	2.4
101.04315	2.3
113.06097	5.5
119.29449	0.7
120.99626	1.7
123.08152	4.8
125.02428	1.1
125.09729	22.9
135.02986	2.8
135.08167	3.5
137.02412	1.4
141.09308	1.2
143.10744	1.4
144.04533	1.4
145.02988	6.5
146.02467	23.5
146.03540	1.5
147.03195	1.1
151.07648	1.9
153.08054	1.4
153.09212	17.1
157.05026	1.6
159.03244	1.6
160.04037	10.4
160.07722	0.6
161.03500	0.9
169.04083	1.2
169.08702	9.4
170.04880	1.1
171.05621	9.9
171.10269	36.6
172.04004	5.9
172.10684	1.2
173.08200	1.4
179.07266	0.8
183.09247	1.0
187.09718	3.9
188.03488	2.7
189.06718	7.6
197.08130	4.6
203.04608	1.0
204.06589	5.0
207.06642	0.8
212.05878	1.3
215.04849	5.3
215.09232	100.0
216.09575	5.5
231.05191	2.4
231.07739	2.4
233.10289	51.9
234.10570	2.7
275.06915	6.0
275.11386	16.3
275.14709	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.1137
Annotation	Clandonensine
Peak:m/z	Relative Intensity
59.01380	100.0
60.01714	0.9
66.37720	1.1
67.46042	0.9
69.79095	5.6
71.01369	1.1
72.99279	1.2
80.28105	0.9
97.06607	2.4
98.19868	1.1
101.04308	13.2
102.98540	1.4
109.06593	5.9
111.08151	13.1
113.06099	1.7
125.09717	22.9
127.00376	0.9
127.07640	3.8
135.08192	1.0
145.03192	2.0
146.02435	1.0
150.94395	0.9
153.09215	12.8
155.07141	7.2
171.10271	82.5
172.10582	3.2
173.03082	0.9
173.08191	39.0
187.09792	2.2
195.06612	2.5
197.08206	6.4
215.09232	64.3
216.09557	2.6
233.10287	52.5
233.13968	2.8
234.02867	1.0
234.10620	1.9
243.59351	0.9
253.64203	1.0
275.02267	1.8
275.11429	19.4
275.14661	2.3
276.11841	1.3
285.50183	0.9
286.27234	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	272.1139
Annotation	O-glutaconylcarnitine
Peak:m/z	Relative Intensity
51.53767	1.2
54.26053	1.3
57.49958	1.3
59.01363	2.8
62.78269	1.4
69.51198	9.6
69.51606	2.2
71.01387	12.0
71.76252	1.5
88.04040	100.0
96.99303	2.8
100.07682	1.8
114.01949	2.4
115.00383	19.6
121.29173	1.5
132.03021	14.8
155.01669	1.4
156.10297	31.5
156.13943	1.6
157.08717	17.4
168.13878	1.9
176.51414	1.4
210.11270	3.1
228.12396	25.8
230.13939	5.7
254.10323	3.2
272.11392	85.7
273.11697	4.2
275.11191	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0977
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84407	0.3
55.01875	0.3
57.03430	0.3
59.01364	0.8
60.68619	0.3
66.16492	0.2
68.99817	0.3
71.01388	0.5
72.99295	0.6
73.02940	0.3
85.02943	0.4
88.04040	0.4
89.90098	0.2
93.03440	0.4
95.01398	0.4
95.05009	0.4
97.06563	0.3
99.00858	0.3
108.02147	1.4
109.02956	1.5
115.00375	0.3
123.04557	0.3
123.08195	0.4
125.02458	0.8
129.07059	0.2
132.03110	0.3
135.03018	0.2
141.07106	0.4
143.04938	0.3
149.02415	0.4
157.06580	0.8
165.09082	0.3
166.85391	0.3
167.04991	1.5
169.06613	1.5
171.04500	1.6
180.05817	0.4
183.04535	0.5
183.06757	0.2
183.10272	0.3
184.05229	0.4
185.06058	11.2
186.06334	0.8
195.04489	9.5
196.05211	2.1
197.06084	3.3
198.03209	0.5
199.03995	1.6
211.04050	2.0
212.04750	5.2
213.05557	42.8
214.05914	2.5
223.04005	5.9
224.04738	5.2
239.03502	1.3
240.04288	3.0
241.05045	100.0
242.05388	5.1
256.07397	59.3
257.07739	3.7
271.09753	43.0
272.10049	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	271.1916
Annotation	Alismorientol A
Peak:m/z	Relative Intensity
56.15246	0.9
58.67185	0.8
70.09825	3.0
83.01393	0.9
83.83185	0.8
108.02171	4.2
109.02954	2.2
125.02458	3.2
145.02888	0.9
176.73235	0.9
186.05522	1.0
209.19099	62.7
210.19470	3.1
212.59322	1.0
213.05597	2.2
227.20096	1.4
227.74825	1.0
241.05113	1.4
253.18095	47.5
254.18471	2.6
256.07346	1.4
271.19153	100.0
271.22348	3.1
272.19537	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	271.2279
Annotation	16-hydroxy hexadecanoic acid
Peak:m/z	Relative Intensity
59.01364	0.9
61.98813	0.7
63.02221	0.5
83.05013	0.5
89.35068	0.4
91.22224	0.4
96.47818	0.4
98.19845	1.1
103.82304	0.5
106.52821	0.6
108.02168	1.3
109.02937	0.9
119.95394	0.4
125.02417	1.0
209.19069	0.5
211.20671	1.8
213.05656	0.6
225.22206	1.7
241.05005	1.0
253.21617	1.4
256.07367	0.6
269.21219	0.8
271.22769	100.0
272.23120	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	269.0489
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81752	0.5
57.03439	0.4
59.01371	0.8
61.98829	2.4
62.96006	0.4
65.54704	0.4
70.30492	0.4
71.01381	1.3
71.55610	0.5
73.02981	0.5
75.93661	0.5
99.04514	0.9
103.73964	0.5
109.02944	0.5
120.99656	100.0
121.99981	1.3
123.08139	0.6
142.00883	0.4
142.02455	0.4
172.52721	0.4
181.03345	1.4
208.89220	0.4
213.68588	0.4
222.91304	0.5
269.04855	1.2
269.10413	1.6
269.13956	2.8
269.17670	0.8
269.21225	0.9
269.24399	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0611
Annotation	(plusmn)-Naringenin
Peak:m/z	Relative Intensity
55.34145	0.5
56.97394	0.5
63.02396	11.6
65.00323	19.3
68.42773	0.5
71.55762	0.7
76.78455	0.5
81.03447	0.6
83.01383	14.5
93.03461	15.6
94.03726	0.6
103.61830	0.4
107.01389	31.0
108.02224	0.9
108.99259	0.7
109.01005	0.5
109.02901	0.7
115.16893	0.5
117.03455	0.8
119.05022	88.6
120.05362	2.2
121.02966	0.7
123.25764	0.5
125.02443	1.1
130.12511	0.6
142.12378	1.0
143.05106	0.8
145.02954	1.9
151.00362	74.4
152.00717	1.7
161.06088	1.8
165.01910	4.2
169.01436	2.1
177.01915	11.7
185.05994	1.6
187.04044	2.5
204.69652	0.5
227.07114	1.5
253.05092	0.8
271.06097	100.0
272.06387	6.5
275.09775	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0612
Annotation	(plusmn)-Naringenin
Peak:m/z	Relative Intensity
50.13608	0.4
57.27240	0.4
59.01411	0.6
63.02400	11.5
63.07328	0.6
65.00326	19.3
69.43319	3.4
77.74607	0.4
83.01385	13.4
93.03461	15.1
107.01396	31.3
108.02233	0.9
117.03474	0.8
119.05029	86.7
120.05355	3.2
121.02972	0.7
125.02457	2.0
137.02446	0.8
143.05028	1.4
145.02971	2.0
151.00371	77.6
152.00656	2.5
161.06119	1.7
165.01953	4.2
169.01416	2.6
177.01932	11.4
178.02271	0.6
185.06012	1.8
187.03986	2.7
199.07646	0.6
213.70125	0.5
227.07150	1.9
227.12622	0.5
229.05087	0.6
241.05063	1.0
256.07239	0.5
271.06113	100.0
272.06403	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1478
Annotation	Unknow
Peak:m/z	Relative Intensity
66.42786	0.3
71.00616	0.5
79.95738	2.2
88.77985	0.3
95.95232	0.6
96.96013	100.0
98.19962	0.4
105.89941	0.3
265.14780	73.6
266.15128	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	265.2173
Annotation	Hydroprene
Peak:m/z	Relative Intensity
59.01364	1.0
66.77081	0.3
71.01372	0.3
71.09470	0.6
73.20550	0.3
75.98198	0.3
94.11176	0.3
96.96013	11.8
101.09465	0.3
115.42449	0.2
247.20665	0.4
261.71423	0.3
265.14929	8.2
265.21710	100.0
266.15152	0.6
266.22061	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	266.0669
Annotation	ICM 0201
Peak:m/z	Relative Intensity
59.01364	1.8
60.45778	1.0
70.40780	3.8
70.41121	1.2
71.01384	27.6
75.11759	1.2
77.62461	1.1
84.94312	1.2
93.03471	2.4
98.19901	1.9
105.01929	3.0
115.00375	61.7
121.02917	1.4
129.28899	1.0
131.03725	2.5
133.06583	2.0
136.04053	11.1
146.06090	1.4
150.05608	67.4
151.04030	11.6
151.05893	2.0
161.02477	1.6
171.08275	1.3
176.96857	1.1
204.06668	8.1
216.95863	1.5
222.07713	87.9
223.08044	3.8
234.91968	1.1
248.05637	5.4
266.06677	100.0
267.06958	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	265.0929
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38342	0.8
56.95432	0.6
57.03447	3.7
58.00579	2.7
58.52324	0.7
59.01380	48.9
69.95021	1.5
71.01003	1.4
71.01383	23.0
72.99315	1.7
73.02936	1.0
75.00886	0.8
83.01411	1.3
85.02955	22.1
87.00882	2.4
89.01929	1.3
89.02448	21.4
95.01388	2.1
98.02505	1.0
99.00887	0.9
99.04536	0.9
101.02449	15.1
103.04015	36.2
107.51462	0.7
113.02441	9.4
117.05582	17.0
117.06417	0.9
119.03502	10.8
128.48636	0.7
131.03467	0.7
133.05098	1.4
135.04811	1.0
137.08298	0.7
143.03534	0.8
145.05081	1.2
149.04486	0.8
161.04599	1.2
179.05585	1.6
183.74571	0.8
265.09280	100.0
266.09537	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	265.1292
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85840	0.7
52.42585	0.9
55.01880	7.8
57.03447	7.3
58.00599	2.2
59.01378	70.5
60.01756	1.0
69.03463	1.2
71.01381	100.0
71.05026	3.1
71.54246	0.8
71.54637	0.9
72.01688	1.5
72.99319	7.7
73.01181	8.7
73.02944	34.2
75.00877	3.4
81.03468	1.3
83.01381	17.2
84.02186	1.2
85.02949	45.4
87.00865	10.8
87.02738	4.2
87.04485	2.0
89.02442	22.1
93.92632	1.1
94.98082	0.8
95.01402	6.8
97.02933	2.9
98.77756	0.9
99.00887	13.8
101.02441	85.5
102.02785	2.1
102.98572	1.1
103.04012	2.3
103.07639	3.9
111.00861	1.7
111.56408	1.1
113.02454	37.7
117.03825	5.4
117.05573	24.0
119.03496	8.7
120.99671	1.5
121.02963	1.2
125.02424	2.3
129.01959	2.6
131.03523	1.4
133.05067	25.5
135.04869	21.8
143.03532	4.5
147.04567	1.0
147.06636	7.9
149.02461	1.2
159.02982	10.9
161.04553	45.7
162.03059	1.0
163.03981	2.4
164.04810	1.1
173.57629	0.9
177.05751	1.9
179.07201	1.0
191.03540	1.5
197.88322	1.0
200.67458	0.9
205.03404	1.3
205.05206	1.0
221.04553	1.6
223.06451	3.0
250.51981	0.9
265.03543	1.5
265.06821	1.8
265.09299	6.4
265.12894	21.8
266.13266	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.0717
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	0.5
59.01373	1.7
69.44415	3.5
71.01385	0.5
73.02966	0.5
93.03452	0.5
97.06585	0.5
103.05546	3.2
106.69917	0.4
111.08147	1.4
117.01954	1.2
119.05019	2.5
121.06563	0.6
145.03030	0.8
147.04526	100.0
148.04861	2.8
151.11218	0.6
203.14421	0.8
221.09846	0.7
221.11894	0.9
221.15474	0.6
222.32654	0.5
234.89226	0.4
247.13417	0.7
265.07037	0.6
265.08618	1.4
265.11090	0.8
265.14514	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.0752
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18552	0.4
55.01878	1.7
57.03457	2.1
58.00579	0.9
58.99608	3.3
59.01381	23.2
61.01168	1.0
68.73225	0.5
71.01383	25.9
71.54371	0.4
72.99305	1.6
73.01163	3.0
73.02953	10.6
75.00855	0.6
81.03460	0.4
83.01395	4.0
85.02953	10.5
87.00877	8.0
87.02739	1.4
87.04496	2.1
88.04100	0.5
89.00668	2.6
89.02450	5.9
93.03455	0.5
95.01405	1.9
97.02969	1.3
99.00866	2.8
99.04557	0.5
101.02444	21.0
101.06082	0.7
102.02706	0.4
102.98599	1.4
107.05080	0.4
110.02539	0.4
111.00901	0.5
113.02448	10.8
117.03798	3.2
117.05596	3.2
119.03529	1.8
119.05048	1.7
120.99633	1.5
125.02412	0.8
129.01941	1.0
131.05016	0.6
133.03305	1.8
133.05003	0.5
133.06641	0.6
135.04865	100.0
136.05225	2.1
143.03474	1.1
145.02948	0.6
147.04536	0.9
147.06633	5.5
149.02428	0.5
159.01823	0.4
159.02986	2.3
159.04337	0.6
161.04556	9.2
163.03926	0.8
177.05812	1.8
179.07237	0.5
191.03522	0.5
192.64264	0.4
205.05344	4.9
221.04568	2.7
223.06450	16.2
224.06825	0.9
230.85889	0.4
265.03445	0.7
265.04446	0.6
265.07364	6.9
265.10110	0.6
265.12799	5.1
266.06839	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.072
Annotation	Dimethylthiambutene
Peak:m/z	Relative Intensity
51.84892	0.9
53.94400	0.9
57.39055	0.9
59.01371	2.1
64.48421	1.0
69.54303	2.4
69.54710	5.5
71.01382	17.9
103.05524	1.5
109.01674	1.0
115.00369	37.9
131.05035	9.5
139.05931	1.3
146.06116	100.0
147.04523	22.3
147.06438	4.3
156.08185	7.6
157.06570	1.2
174.09212	5.5
200.07179	11.5
218.08214	63.2
219.08540	3.8
244.06093	2.3
262.07190	66.6
263.07547	4.7
266.36520	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0559
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82205	0.4
59.01364	1.0
66.32182	0.5
71.01383	14.8
96.99304	1.1
98.19829	1.0
103.05548	0.6
106.54253	0.5
115.00385	1.5
115.05531	12.8
116.05843	0.7
117.03493	1.2
129.07106	13.3
133.06937	5.5
145.06557	0.8
147.04520	5.3
157.06584	86.0
158.06898	4.6
173.06059	3.1
175.07637	5.8
201.05556	7.7
202.05945	0.6
203.07411	0.7
205.01088	0.5
219.06631	16.2
221.08644	0.7
234.08026	0.7
245.04543	37.9
246.04907	2.1
263.05597	100.0
264.06015	4.6
264.08478	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.056
Annotation	Ancistroquinone D
Peak:m/z	Relative Intensity
62.38377	0.5
71.01383	11.6
96.99350	0.8
98.20665	1.6
115.00383	0.7
115.05541	11.1
117.03475	1.7
121.20848	0.5
129.07106	13.8
132.76648	0.6
133.06961	1.6
145.06612	0.7
147.04530	4.6
156.05775	0.6
157.06583	80.6
158.06963	4.4
173.06126	4.1
175.07642	5.9
182.39717	0.6
185.15663	0.5
201.05609	6.4
219.06601	13.7
220.06992	0.8
221.26271	0.6
245.04535	35.0
246.04892	2.1
263.05588	100.0
264.05911	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	263.056
Annotation	Ancistroquinone D
Peak:m/z	Relative Intensity
51.14317	0.7
64.02987	0.8
69.39684	6.9
71.01380	25.4
78.43984	0.8
79.95739	2.6
96.99321	1.7
99.00880	2.4
103.05486	1.0
108.06465	1.0
115.00323	1.6
115.05542	11.0
117.03490	1.2
129.07103	15.3
131.05026	1.0
145.06567	1.2
147.04504	7.7
153.02000	1.0
157.06580	96.0
158.06898	3.1
161.06096	0.8
173.06068	4.6
175.07643	10.5
176.40530	0.8
180.91307	0.8
201.05557	11.9
219.06596	27.4
219.09941	1.3
220.07060	1.5
245.04526	54.2
246.04935	2.6
263.05582	100.0
263.13028	2.5
264.05948	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	263.2015
Annotation	KDC 165
Peak:m/z	Relative Intensity
58.87504	0.8
59.01377	1.0
62.11765	0.8
63.38014	0.7
64.34712	0.7
66.14587	0.7
70.86405	1.7
70.86737	0.9
71.01374	1.3
71.35389	0.7
112.30517	0.9
126.68542	0.8
217.57397	0.8
235.29869	0.9
256.69260	0.9
263.20139	100.0
264.20416	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	261.0879
Annotation	(+)-Neothramycin B
Peak:m/z	Relative Intensity
54.13709	1.3
57.03440	4.4
58.02971	30.9
59.01378	30.1
69.44307	7.0
70.02982	3.3
71.04998	1.6
72.60776	1.2
74.02469	27.6
84.04538	13.6
86.02499	2.7
86.06142	1.3
87.04521	5.5
92.05059	12.1
97.06566	1.8
98.02479	16.2
101.06087	1.6
110.02481	4.2
116.03536	15.3
116.05019	3.1
116.34262	1.2
118.03017	2.3
118.06622	2.3
120.04542	2.6
125.09662	1.9
128.03542	38.2
130.06596	6.7
131.01723	3.8
131.03770	73.6
132.04561	63.2
133.04897	3.0
140.05058	3.8
143.10776	2.3
144.04547	17.5
145.04005	1.5
146.06062	7.0
147.05659	1.8
147.78839	1.2
155.10777	2.3
157.05583	1.3
157.07709	37.2
157.12270	3.4
158.06100	42.2
158.08038	2.3
159.06436	2.2
160.04021	2.7
173.11809	6.3
175.08751	37.2
189.06650	4.0
199.08736	8.9
201.06721	8.7
201.11320	14.7
217.09769	9.8
219.07764	38.8
219.12363	67.1
220.07951	3.4
220.12761	3.7
243.07784	6.6
261.08798	100.0
261.12912	7.8
262.09122	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	261.1342
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63267	0.4
51.05619	0.5
54.07109	0.5
57.03447	3.9
58.93556	0.5
59.01379	37.4
64.26035	0.4
69.03448	0.5
69.32629	0.4
71.05027	0.9
73.02949	0.8
74.02470	4.4
79.51118	0.5
85.41389	0.4
91.48069	0.5
92.26244	0.4
97.06605	1.5
98.02470	1.0
99.08129	0.6
107.08689	0.7
109.06567	1.6
109.10161	0.6
111.07493	0.5
111.08141	3.1
116.03539	2.5
123.08164	1.4
125.09714	6.2
127.07616	1.2
128.03577	0.8
129.09219	1.1
132.04535	1.4
137.09718	0.7
137.69701	0.5
141.09225	2.7
143.10782	14.3
144.04584	0.8
144.11142	0.6
153.09105	0.5
155.10838	2.4
157.12325	3.2
158.06105	0.7
173.11839	1.4
201.06758	0.6
201.11340	11.1
219.12364	100.0
220.12752	3.7
257.75089	0.5
261.08841	1.8
261.13409	11.2
262.13889	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.0879
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03004	1.0
57.03451	5.9
58.02980	10.0
58.95840	0.8
59.01380	38.2
69.03442	1.4
69.35740	0.7
70.02959	1.4
70.68092	2.2
71.04991	2.0
72.99309	6.1
74.02472	17.8
75.00848	1.1
78.95903	2.6
79.95724	3.0
84.04546	13.9
85.02963	2.0
85.06576	1.6
86.02463	2.9
87.00861	3.0
87.02727	2.3
87.04520	13.2
90.88881	0.8
92.05067	6.6
93.03457	9.5
95.05015	1.7
96.95997	2.6
96.96964	0.8
97.06570	2.7
98.02485	11.8
99.00843	1.2
101.02431	0.9
101.06072	2.1
107.05036	1.1
110.02460	2.9
113.06070	1.6
115.07619	1.6
116.03551	10.2
116.05053	0.7
118.02979	1.8
118.06652	2.2
119.05038	14.3
120.04543	1.9
125.09724	3.4
128.03546	39.0
129.03874	1.2
130.06638	4.6
131.01694	3.3
131.03772	35.9
132.04561	60.3
133.04889	2.4
134.26556	0.7
135.04530	9.9
140.05046	2.6
144.04547	13.5
146.02467	0.9
146.06129	3.1
153.09166	2.2
155.10814	1.8
157.07726	13.2
157.12349	3.7
158.04802	1.0
158.06110	18.9
158.08092	1.2
159.06467	0.8
163.04010	14.1
173.11813	12.0
175.08774	16.4
181.05078	30.1
182.05394	1.9
189.06682	1.0
199.00731	8.2
199.08780	4.3
201.06705	5.9
201.11334	19.9
215.00177	2.4
217.09732	5.4
219.07811	18.7
219.12366	100.0
220.08124	1.5
220.12695	3.6
243.07730	4.3
257.55829	1.0
261.00726	38.1
261.03015	1.4
261.08792	39.1
261.13162	8.9
262.01096	2.5
262.09109	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	258.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
56.32770	0.4
57.01386	0.4
59.01369	1.2
66.68401	0.4
66.91451	0.4
69.40169	3.5
70.02979	0.9
70.37173	0.4
71.01379	9.3
88.04041	100.0
89.04365	0.8
94.64711	0.4
96.99321	2.8
97.13020	0.3
108.45427	0.3
114.01969	3.3
115.00376	18.4
125.09795	0.6
132.02081	0.7
132.03026	9.5
133.03313	0.4
142.12375	43.8
143.10777	18.8
143.12680	1.2
144.11073	0.6
168.13936	1.5
175.89479	0.4
182.99434	0.4
196.13425	2.5
203.52628	0.4
214.14488	15.4
240.12413	3.7
258.13458	63.0
259.13800	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	259.1186
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	10.2
59.01380	71.2
64.94591	0.9
65.03928	1.1
65.07522	1.2
69.03452	3.1
71.01383	3.5
71.05033	6.5
71.54352	2.2
72.99300	2.0
73.02946	5.0
74.63732	1.3
77.65803	1.2
78.19012	1.1
82.02989	2.8
83.05038	3.4
85.02960	3.0
85.06602	1.1
87.04526	1.4
95.05028	2.8
96.96992	1.1
97.06574	9.3
99.04530	1.7
101.06077	2.1
109.06593	2.7
113.06123	1.4
115.07715	1.4
116.07203	2.6
123.04488	1.8
123.08172	7.3
125.09720	3.7
127.00368	2.0
128.03578	1.3
129.00789	1.1
130.08736	5.0
135.08136	3.8
137.09708	8.9
138.05612	4.5
141.09222	9.2
143.11868	5.0
145.08620	1.2
151.07716	1.3
153.09233	9.0
155.10767	3.4
162.12727	1.2
169.08705	8.8
181.08693	16.0
187.09723	10.7
197.11795	3.2
199.09756	100.0
200.10101	4.7
213.14870	1.6
217.10794	85.2
218.11133	2.9
229.06171	2.5
229.11922	4.2
241.10851	7.1
259.06076	4.3
259.11697	21.9
259.15482	13.7
260.11868	1.8
274.05527	1.2
282.79184	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.0073
Annotation	Tichocarpol A
Peak:m/z	Relative Intensity
57.03440	0.9
58.02976	1.1
59.01376	11.4
63.97267	0.5
66.13453	0.6
68.57877	0.6
69.76263	2.4
69.76672	1.3
72.99310	13.8
74.02477	1.2
75.00892	1.8
79.23891	0.5
79.95730	7.4
80.96526	1.2
81.03437	1.8
87.00849	0.6
87.04519	2.1
93.03461	23.2
96.96017	2.6
98.19962	0.8
107.05022	1.8
110.62088	0.6
111.08151	0.9
119.05027	45.0
120.05370	1.3
125.09682	1.6
128.03522	1.4
130.06657	0.7
131.03764	2.3
132.04550	2.5
134.03719	1.3
135.04523	32.3
136.04839	0.7
137.06056	1.3
143.10793	1.4
144.04575	0.9
155.10822	1.0
157.07704	1.2
157.12340	1.4
158.06108	1.2
163.04005	35.7
164.04366	1.2
173.11827	3.1
181.05064	87.7
182.05396	2.6
199.00699	16.0
201.11317	6.2
215.00200	6.9
217.09769	0.7
219.07912	1.0
219.12357	31.0
220.12640	0.8
261.00717	100.0
261.08679	4.1
261.13361	4.5
262.01025	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	261.0766
Annotation	Unknow
Peak:m/z	Relative Intensity
58.42898	6.2
61.98825	6.4
62.14005	5.3
64.47625	8.1
70.55364	6.5
70.55721	19.6
71.01353	6.0
85.22993	5.4
87.00886	18.0
87.04510	12.8
94.81024	5.8
115.04015	53.3
117.03439	16.6
117.04206	6.2
127.00397	6.4
130.04214	20.2
146.77808	5.7
166.95940	20.9
172.86015	6.7
173.09731	6.3
189.09225	100.0
217.12209	6.9
219.12276	9.0
261.22281	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	258.0617
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.2
55.33755	0.4
57.03428	0.5
59.01368	1.0
61.98822	0.7
64.69477	0.4
66.03448	0.5
68.99808	0.4
69.03439	1.6
71.01379	2.4
71.05010	0.6
71.53619	0.7
71.54014	0.4
72.04555	3.1
72.99303	0.9
73.02940	0.8
74.02464	0.7
75.00909	0.5
75.94389	0.4
76.06486	0.4
78.95914	2.3
80.96524	0.7
81.03440	0.6
82.02984	8.4
83.01393	2.0
83.05005	0.9
84.04539	1.1
85.02950	0.9
86.06126	2.3
87.00862	1.4
87.05641	0.6
88.10565	0.4
94.02984	10.5
95.01379	0.5
95.05091	0.4
96.04552	17.1
96.96014	1.4
96.96957	2.7
97.04878	0.4
98.02474	3.7
99.00893	2.4
100.04065	1.1
101.02433	1.1
108.04560	1.0
109.06583	0.9
110.02489	0.6
110.06126	1.2
111.00880	1.2
111.04543	0.8
112.04044	3.1
112.98822	1.3
113.02448	1.1
114.05630	0.7
122.06118	1.0
123.03302	0.6
123.04630	0.4
124.04045	0.5
124.07677	0.8
125.02420	0.7
126.01943	0.4
127.00378	2.0
128.00740	1.9
129.01909	0.5
130.05107	3.1
134.06145	1.8
135.04510	0.7
136.07666	3.2
138.97066	1.5
139.00420	0.5
140.03481	0.5
142.05144	0.6
148.03961	0.4
150.05603	3.0
152.07169	100.0
153.07547	3.5
168.06671	0.5
178.05099	5.2
180.06627	0.5
185.01520	0.4
196.06137	10.3
196.07930	0.6
197.06564	0.5
197.90259	0.4
199.09770	0.5
211.60031	0.4
213.05113	1.0
214.05402	0.7
217.10744	0.7
222.04085	1.1
226.98680	1.2
228.97064	0.4
240.05124	14.5
241.03349	0.4
258.04269	1.8
258.06430	8.8
259.01437	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1031
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90261	0.5
57.03462	0.6
59.01378	32.0
63.07611	0.5
69.80556	1.9
71.01363	0.9
71.05041	0.7
72.99329	0.6
81.03442	2.5
81.07050	0.6
83.01385	0.5
83.05022	0.9
84.96398	0.5
85.02902	0.5
85.76384	0.4
87.00840	0.5
99.04517	2.5
123.08160	1.4
125.09717	11.9
126.51959	0.5
127.00386	1.7
135.08147	2.5
141.09196	0.6
151.07579	0.7
151.38306	0.5
153.09219	14.2
154.09531	0.6
169.08757	4.0
171.10263	6.3
197.08189	19.0
198.08553	0.8
207.06351	0.5
213.11319	0.7
215.09235	100.0
216.09547	5.3
257.04559	1.5
257.10355	5.0
257.12741	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.051
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	0.8
65.10851	0.9
69.98106	3.2
70.99719	0.9
85.02974	1.8
93.03451	1.9
94.03018	0.9
95.01373	3.3
104.00249	0.8
107.05029	2.4
108.02166	8.9
109.02963	17.0
120.02177	12.3
121.02912	1.2
123.00890	1.0
123.04536	5.9
124.01655	1.7
134.03770	1.5
135.04524	1.8
136.01657	2.7
137.02441	2.6
138.03226	2.0
148.01663	71.0
149.02103	2.8
150.03258	0.9
153.01938	3.0
153.05574	64.3
154.05908	2.2
163.03999	34.2
163.11130	1.3
164.04396	1.7
165.01897	2.8
166.02689	8.7
167.03429	2.9
169.12312	1.9
179.03490	2.3
181.05058	16.4
192.00670	5.8
196.03766	3.7
207.02985	12.3
208.03395	1.1
210.01683	3.1
211.06107	1.1
225.04033	100.0
226.04335	3.3
240.02724	2.1
246.85239	0.8
255.05087	77.0
255.23277	42.5
256.05380	4.4
256.07928	1.6
256.23724	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.1917
Annotation	N-Lauroylglycine
Peak:m/z	Relative Intensity
61.77893	0.2
71.11470	0.4
71.11815	0.4
72.04547	0.7
74.02473	100.0
75.02806	0.8
84.04556	1.2
92.35285	0.3
106.75965	0.2
116.46746	0.2
117.23258	0.2
127.00394	0.3
210.18576	0.3
212.20180	4.3
219.84521	0.5
221.75418	0.2
256.19180	36.6
256.23334	6.8
257.17233	0.3
257.19638	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1031
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	3.1
59.01381	38.6
67.37628	0.7
69.03452	14.4
69.20040	6.2
69.20444	1.5
71.01373	2.3
72.99310	12.7
73.02944	2.9
79.05543	0.8
81.03459	1.6
82.02956	0.6
83.01402	1.7
83.05025	2.5
85.02940	4.7
87.00884	1.5
91.05572	0.7
93.03471	2.0
93.07097	1.8
95.05032	5.8
97.02955	1.0
98.03773	0.8
98.20635	2.1
99.00893	1.6
101.02390	0.9
105.07104	2.1
106.04298	1.8
109.06599	1.9
111.00883	1.1
111.04518	1.9
113.02456	0.8
113.06003	0.8
115.05546	1.0
117.07132	5.2
119.05056	1.0
123.08154	2.4
124.05379	1.2
125.02455	1.0
125.09729	1.7
127.00385	19.9
129.01956	1.2
133.06604	1.7
135.08183	7.8
137.06061	2.7
137.09720	1.9
139.07648	3.4
141.09219	0.9
149.06062	0.9
151.07634	1.5
153.05719	0.7
153.09201	4.1
155.07077	1.0
155.10779	9.9
156.11067	1.0
167.07137	2.0
169.01431	1.0
169.08577	0.9
171.10255	0.8
174.55791	0.8
179.07126	9.8
180.72369	0.9
181.01436	2.2
181.58116	0.7
195.10243	1.2
195.13901	2.2
197.08189	12.9
198.08604	0.9
213.14967	5.4
215.09229	100.0
216.09625	3.7
216.12337	0.7
221.22903	0.8
239.09163	0.9
257.04364	1.3
257.06744	1.5
257.10297	11.9
257.13919	10.0
257.23755	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.2173
Annotation	Delta2-cis-Hexadecenoic Acid
Peak:m/z	Relative Intensity
53.88235	8.7
59.01369	10.7
68.01997	9.1
69.84059	46.5
76.41133	8.3
78.03068	10.6
78.33031	8.1
85.51594	10.7
89.03214	8.7
98.20551	14.4
113.78214	8.8
133.53525	7.9
143.73067	8.6
151.47644	10.2
253.21703	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	254.0153
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
69.73827	8.6
74.99107	2.4
87.00896	4.6
101.87505	1.6
115.70505	1.6
140.65958	1.6
167.03688	6.0
183.95628	1.7
200.15152	1.6
210.07701	3.1
255.05316	3.5
255.23276	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	251.1652
Annotation	Hanalpinol
Peak:m/z	Relative Intensity
55.01867	1.5
57.03445	1.7
57.17501	0.7
59.01383	12.7
61.98822	1.7
65.00320	1.2
71.01382	18.3
71.44228	1.6
72.76458	0.7
72.99280	1.4
73.02944	6.3
78.57587	1.0
83.01393	2.5
85.02953	8.5
87.00862	0.9
89.02456	4.1
95.01381	2.4
99.00872	2.8
101.02445	16.3
113.02456	5.7
119.03532	1.1
143.03548	0.9
147.04532	2.5
159.03011	1.3
161.04572	5.4
163.00304	1.0
180.94119	1.0
191.14400	7.8
233.15376	4.2
240.49355	0.9
251.11194	4.4
251.16557	100.0
252.16853	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	251.2016
Annotation	Hugonianene B
Peak:m/z	Relative Intensity
55.01868	0.8
57.03437	0.7
59.01377	8.2
61.98824	0.6
70.04585	1.9
71.01378	9.2
72.99306	0.9
73.02951	3.0
82.48088	0.5
83.01369	1.5
85.02945	5.2
87.00839	0.7
89.02425	1.4
91.01886	1.2
95.01395	1.3
98.20034	0.6
99.00864	1.6
101.02442	9.6
101.54519	0.5
104.86351	0.5
113.02419	2.9
119.01381	0.7
122.80613	0.5
135.00862	0.7
159.02979	0.9
161.04538	3.4
161.68724	0.5
163.00392	0.6
178.90233	0.4
180.86366	0.5
193.10936	0.5
241.39796	0.7
251.11404	1.5
251.14804	2.9
251.20142	100.0
252.20499	5.9
264.89453	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.0512
Annotation	N-Pyruvoyl-5-methoxy-3-hydroxyanthranilate
Peak:m/z	Relative Intensity
57.62413	0.4
59.01388	0.5
69.19200	1.0
69.19622	2.3
71.01378	7.2
71.80181	0.3
80.49007	0.3
83.98210	0.3
85.02933	0.4
88.04051	3.6
91.01907	1.5
93.03460	19.5
114.02003	0.4
115.00374	13.7
118.02998	15.1
119.03408	0.5
121.02990	1.1
132.03020	3.3
136.04044	100.0
137.02466	7.5
137.04404	2.7
146.06082	1.8
162.05640	0.6
164.07152	6.2
165.09192	0.4
175.65082	0.4
190.05016	0.5
208.06171	6.9
209.08098	0.4
213.52490	0.4
234.04036	1.3
252.05121	24.2
253.05359	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35701	1.3
59.01374	6.8
61.24049	1.3
69.03438	1.7
71.26499	1.6
71.26830	2.2
74.69019	1.3
76.28918	1.3
87.07545	1.4
96.32374	1.6
97.52977	1.7
105.07069	1.6
125.09747	2.0
159.11790	4.2
161.13359	100.0
162.13704	3.9
163.11349	2.9
181.37251	1.9
191.14392	16.8
194.30794	1.7
209.15471	2.5
253.14474	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.186
Annotation	roughanic acid
Peak:m/z	Relative Intensity
51.26164	0.5
59.01365	2.2
59.32400	0.5
61.98833	0.9
70.10548	2.4
71.01382	1.0
83.05054	0.8
98.19987	0.8
99.08838	0.5
104.57567	0.8
161.02350	0.7
205.01318	0.7
205.15944	1.2
205.19545	1.1
231.17575	0.9
247.16963	1.1
249.18578	100.0
250.14497	13.4
250.18810	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	250.072
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	3.7
62.15754	1.0
70.45370	0.8
71.01004	1.4
71.01381	19.7
73.02924	1.0
85.02938	1.1
90.00961	1.0
91.05530	4.2
96.99318	0.9
100.77237	0.9
101.02405	1.4
103.79648	0.9
113.02383	1.0
115.00369	36.6
128.60976	0.9
133.06641	1.6
134.06122	100.0
135.03487	1.7
135.04520	30.0
135.06409	2.5
136.04903	0.9
160.07646	1.9
162.09239	12.1
175.07588	1.4
188.07172	18.1
204.10283	1.5
206.08217	49.3
207.08495	1.7
218.41061	0.9
219.26352	1.1
232.06125	3.7
250.07187	62.3
250.11044	2.9
250.14279	6.5
251.07451	3.5
251.12952	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	250.0719
Annotation	N-Feruloylglycine
Peak:m/z	Relative Intensity
50.72227	0.8
58.50537	0.8
59.01376	3.6
63.96700	0.9
69.36028	7.5
70.96635	0.8
71.01379	18.6
80.91159	0.8
83.05037	1.4
85.02997	1.0
89.52872	0.9
91.05553	3.7
91.06067	0.8
98.19938	2.0
101.02470	2.3
113.02488	0.8
114.99557	1.8
115.00372	35.1
134.06122	100.0
135.04526	28.5
135.06477	3.5
154.78781	0.9
160.07697	1.6
161.04559	1.5
162.09230	10.7
175.07660	1.6
188.07169	16.9
201.51447	0.8
204.10329	2.1
206.08223	43.6
207.08597	2.1
232.06142	6.1
242.98820	0.8
250.07205	64.1
250.10782	3.0
250.14407	7.5
251.07466	2.7
251.12872	1.5
266.19617	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	250.0719
Annotation	N-Feruloylglycine
Peak:m/z	Relative Intensity
59.01371	1.9
65.82765	0.4
69.38258	4.2
70.02969	1.0
71.01380	7.6
72.16205	0.4
72.99306	0.5
83.33107	0.4
85.02950	0.7
88.04040	84.4
89.04382	1.0
91.05527	2.6
98.19856	0.6
101.02438	0.6
101.44318	0.5
102.04779	0.5
113.02467	0.6
114.01966	5.0
115.00373	16.9
117.03438	0.5
119.05275	0.9
120.05724	0.8
121.21455	0.4
125.48784	0.6
132.03026	100.0
133.03363	1.7
134.06107	5.4
135.04520	4.0
154.03305	0.5
160.07706	0.6
162.09276	0.5
188.07109	0.8
206.08200	3.8
206.80162	0.5
232.06116	1.1
238.61830	0.5
245.27533	0.5
250.07188	21.7
250.14488	1.9
251.07556	0.8
255.45654	0.5
273.00095	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	250.0719
Annotation	N-Feruloylglycine
Peak:m/z	Relative Intensity
50.94086	5.5
58.02958	25.3
58.34723	6.3
59.01389	39.6
59.86185	6.2
60.01719	12.2
69.37895	52.8
70.00152	6.3
70.02982	14.5
71.01380	43.5
72.00902	10.9
72.01711	16.7
72.99326	6.6
73.02963	10.2
75.00862	27.9
76.01238	8.8
85.02946	19.2
86.03288	7.6
89.02421	8.9
91.05553	8.2
98.20593	11.3
99.00885	13.4
101.02463	7.6
113.02450	17.7
114.02782	13.7
147.04512	45.0
164.07149	89.5
179.09071	6.0
186.06561	6.1
206.08186	61.9
217.47684	6.1
228.19820	6.5
250.06493	100.0
250.14516	24.1
251.06940	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	251.1136
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	11.2
57.03440	6.1
58.00583	3.7
59.01379	84.5
64.26577	1.5
69.86137	4.7
69.86537	2.3
71.01382	100.0
72.99293	2.1
73.02947	33.4
75.00876	3.1
83.01381	16.1
83.31088	1.3
85.02950	51.5
87.00861	4.6
87.04531	1.4
89.02450	22.9
95.01385	8.6
97.02961	1.3
99.00880	9.1
101.02440	94.9
113.02449	42.0
114.02761	1.3
119.03504	8.0
125.02428	1.4
143.03500	5.5
154.03372	1.4
159.02995	10.5
161.04553	38.9
161.62485	1.3
251.11345	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	249.0803
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06959	0.3
58.99614	2.8
59.01382	6.1
70.53719	1.4
72.99311	1.6
73.01158	1.1
73.02943	0.6
76.34993	0.4
83.22900	0.4
87.00874	10.9
102.98631	1.1
115.05523	2.6
117.03804	1.3
117.07109	1.7
119.05370	100.0
120.05723	1.9
131.05003	1.0
131.98428	0.5
146.53432	0.4
161.06168	1.5
175.04013	0.6
187.04016	3.8
189.05919	8.9
204.03967	0.4
205.05095	0.5
207.06943	9.4
211.91333	0.4
231.02905	0.7
232.57639	0.5
249.04039	1.2
249.07889	2.2
249.15096	0.8
250.14514	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1107
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	2.3
61.14702	1.2
67.99746	1.3
69.03473	1.8
71.55635	1.7
72.99319	2.0
84.19495	1.3
112.98573	3.8
124.68166	1.4
127.07656	6.6
147.57701	1.5
154.97437	2.0
161.02493	1.7
167.06891	1.7
177.05505	2.0
179.10849	2.2
181.12335	30.0
182.12500	1.9
191.07019	1.4
197.11818	2.8
199.07373	2.0
201.08984	3.9
203.10506	9.7
205.01392	1.6
205.08490	1.7
205.10426	1.5
205.12230	4.6
205.15967	5.5
207.10028	1.7
217.08543	3.9
219.10085	8.0
221.11617	6.0
223.13145	69.1
224.13576	2.4
233.07979	8.3
235.09497	23.9
237.11089	50.3
238.11472	3.7
248.97325	6.0
249.11107	100.0
249.14882	17.7
250.11552	3.9
250.14526	17.9
265.10510	9.8
267.12131	95.3
268.12430	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	249.1495
Annotation	Sch 601254
Peak:m/z	Relative Intensity
57.57199	2.0
59.01381	10.0
61.98836	12.0
68.99553	4.3
69.03457	35.3
69.44112	12.9
69.44518	3.5
71.01409	2.8
73.02974	2.7
83.05022	4.3
91.84618	2.3
93.03455	2.2
95.05030	6.6
97.06565	2.1
98.04894	2.2
109.02921	2.6
112.98587	8.3
148.23398	2.4
149.13339	3.6
153.58441	2.2
154.97336	3.0
161.02473	3.0
167.10823	4.0
177.01761	3.2
187.14874	5.1
191.13377	2.6
193.12300	6.6
205.12350	14.8
205.15948	17.4
221.15442	21.2
231.13907	33.0
248.97295	7.6
249.07768	2.6
249.14960	100.0
250.14485	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	247.0821
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13588	2.1
59.01380	75.6
69.55911	14.5
71.05029	4.3
84.71091	1.8
87.04534	3.6
93.42949	2.2
98.19968	4.5
99.04525	11.8
99.08160	3.9
102.42024	2.2
103.00399	11.0
115.04018	9.4
117.05541	7.3
143.07150	5.2
146.31522	2.3
149.02428	3.0
161.08191	100.0
214.77138	2.0
226.25858	2.1
247.06013	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	247.1702
Annotation	4-Methoxy-1,9-cadinadien-3-one
Peak:m/z	Relative Intensity
50.50465	0.1
57.03403	0.1
58.31683	0.1
58.67966	0.1
59.01366	0.2
61.98832	0.4
71.01365	0.2
71.55502	0.2
72.99337	0.1
79.95728	0.4
89.02426	0.2
90.16177	0.1
121.02919	0.1
141.01675	0.2
150.83281	0.1
165.96973	0.1
184.00160	2.1
186.95555	0.2
190.09918	0.1
193.36108	0.1
204.15155	0.2
205.16043	0.2
206.96211	0.1
207.14011	0.1
220.17070	0.4
231.13879	0.6
247.17012	100.0
248.07959	1.7
248.17343	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	249.0615
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00310	0.3
55.01877	3.0
57.03450	5.4
58.00593	1.7
59.01380	36.8
60.01714	0.5
67.01895	3.0
68.43560	0.2
68.99818	10.4
69.03459	7.2
71.01382	47.0
71.54828	0.3
72.01720	0.6
72.99309	10.3
73.02946	5.8
75.00873	31.9
81.03470	2.3
83.01389	3.9
83.05035	1.2
84.02176	0.6
84.12004	0.2
85.02952	24.7
86.03290	0.6
87.00334	0.5
87.00875	9.8
89.02445	10.4
91.04010	2.8
93.03457	3.0
95.01391	8.1
96.99317	0.4
97.02956	2.1
99.00881	16.5
101.02466	0.6
101.04274	0.3
103.00387	2.9
103.04012	1.1
108.02163	0.4
109.02952	1.8
111.00875	2.9
111.04521	0.9
112.01665	1.2
113.02451	29.7
114.02792	0.6
115.00379	3.4
115.04010	1.8
117.01948	5.5
119.05367	0.3
121.02965	0.6
127.03991	0.4
129.01927	3.0
129.77698	0.3
130.99850	1.0
131.03545	0.6
133.05103	0.6
139.00325	0.5
143.03587	0.5
143.20868	0.3
147.04517	0.6
155.41568	0.3
157.01469	1.6
161.06174	0.3
164.07153	0.9
169.05019	0.7
173.06052	0.3
175.02481	2.3
189.04050	2.5
204.04234	0.7
206.08157	0.8
208.75111	0.3
219.02875	0.3
219.06563	0.7
231.05106	5.6
249.06140	100.0
250.06482	4.0
250.14610	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.0801
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99603	2.5
59.01377	5.2
60.84253	0.4
65.06062	0.4
69.98141	0.7
69.98479	2.0
73.01189	0.7
87.00875	8.8
98.19984	0.8
100.74300	0.4
102.98619	1.2
107.27172	0.4
115.05527	1.1
117.03839	0.7
117.07132	0.6
119.05364	100.0
120.05711	1.6
131.05026	0.5
161.06111	0.4
175.11221	0.4
187.04050	1.4
189.05908	8.6
200.02054	0.4
207.04976	0.7
207.06952	12.5
207.08809	0.8
249.03983	0.6
249.07983	2.5
250.14342	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1756
Annotation	CHEBI:79279
Peak:m/z	Relative Intensity
59.01369	1.5
61.98830	10.5
68.16473	0.7
71.01379	0.9
71.55473	1.0
74.02461	1.9
96.95941	0.9
112.86275	0.8
116.03542	0.9
125.02447	1.0
160.23889	0.8
162.91173	0.8
174.99258	1.4
181.12346	6.6
199.90172	2.2
203.08301	1.0
213.14925	1.6
245.00922	0.7
245.04573	0.9
245.17557	100.0
245.89421	1.9
246.17928	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	247.0822
Annotation	Unknow
Peak:m/z	Relative Intensity
54.66608	2.0
57.14749	2.8
59.01379	79.1
71.01389	4.6
71.05022	3.0
72.99306	2.5
85.02904	3.1
86.58150	2.3
87.04537	2.9
87.41553	2.4
91.47286	3.0
98.19896	4.4
99.04517	11.0
99.08163	3.6
103.00367	10.2
112.63161	2.2
115.04004	8.0
117.05562	7.5
119.77431	2.7
121.13737	2.5
127.00385	2.5
143.07143	3.9
161.08199	100.0
165.60130	2.2
187.09651	3.0
228.36121	2.5
247.11708	5.2
250.28255	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	245.093
Annotation	N-Acetyl-DL-tryptophan
Peak:m/z	Relative Intensity
58.02972	24.6
69.23476	8.6
69.23872	2.7
70.02979	17.3
70.03335	1.8
72.00903	3.8
72.04550	4.1
74.02473	95.6
98.02478	21.6
101.25497	0.9
116.03546	32.3
116.05054	28.7
117.05379	0.9
130.06616	4.1
133.63660	0.9
142.06621	6.5
159.09270	5.3
177.61113	0.9
183.09239	2.0
186.05605	2.8
201.10350	8.8
203.08255	100.0
204.08543	5.9
245.09302	100.0
246.09680	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	245.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27874	0.5
59.01379	44.6
69.35802	4.0
69.87023	0.5
71.05019	1.7
74.02464	1.7
85.06587	1.0
93.03674	0.5
94.59418	0.5
109.88703	0.5
116.05059	0.6
127.11294	4.3
139.11317	1.9
155.10782	1.9
157.12341	20.1
158.12646	0.6
185.11838	16.3
186.12184	0.7
203.12881	100.0
204.13261	4.5
245.04509	0.6
245.09384	1.2
245.11734	0.7
245.13959	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	245.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81306	0.5
57.03439	1.3
58.02963	1.4
59.01381	45.0
65.22821	0.4
70.02995	0.5
72.99300	0.7
73.41489	0.5
74.02477	6.1
88.39789	0.5
96.70691	0.4
98.02488	1.3
108.79693	0.4
111.08169	0.6
113.09750	1.4
116.03544	1.0
116.05070	3.2
118.65012	0.4
123.08143	0.5
125.09721	1.2
127.11295	2.0
128.05077	0.7
130.06641	1.5
137.77495	0.5
139.11285	1.3
142.06627	27.8
155.10774	3.1
157.06877	0.6
157.12335	18.4
158.06102	3.8
158.12625	0.6
178.87381	0.4
185.11824	14.4
186.05585	6.6
186.12057	0.6
188.05452	0.5
203.08487	4.7
203.12872	100.0
204.06642	13.1
204.08519	1.1
204.13182	4.4
245.04465	0.5
245.09583	3.7
245.13905	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	245.093
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02705	1.7
58.02973	25.7
69.52364	3.9
69.52792	2.8
70.02977	15.2
72.00896	5.8
72.04542	2.8
72.10521	0.8
74.02472	100.0
77.96478	0.9
95.49977	1.0
98.02480	26.1
98.20661	0.9
116.02704	1.2
116.03535	31.6
116.05054	35.1
117.03893	1.2
130.06622	4.9
142.06589	7.8
159.09279	7.8
160.91035	0.9
168.92650	0.9
183.09299	1.6
186.05559	2.7
201.10312	8.7
203.08258	88.3
204.08594	3.5
245.09290	75.4
246.09648	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	243.1237
Annotation	Pandangolide 1
Peak:m/z	Relative Intensity
59.01368	1.8
69.48219	4.0
71.01405	0.6
71.05027	1.3
82.02986	0.9
83.01363	0.8
83.05018	0.7
97.02962	1.1
99.00877	5.5
110.02477	1.8
110.03710	0.9
111.00871	0.8
111.10020	0.6
125.09721	1.9
125.51346	0.8
153.12889	1.9
155.14388	1.4
163.11281	2.9
168.88893	0.7
169.12198	0.7
169.90611	0.8
171.13875	1.1
181.12347	17.2
197.11792	2.6
199.13394	52.5
200.13766	2.6
207.10233	12.0
225.11311	24.4
226.11708	1.4
243.06772	2.4
243.12360	100.0
244.12703	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1235
Annotation	Pandangolide 1
Peak:m/z	Relative Intensity
52.05516	1.1
59.01364	5.1
62.80598	1.1
65.12504	1.2
66.56536	1.3
66.88098	1.0
69.50132	9.1
71.01337	1.1
71.05011	3.2
73.02956	1.9
77.13384	1.3
83.05038	1.4
91.01902	2.0
97.02939	6.7
97.06556	1.7
99.00263	1.7
99.00883	25.9
109.06587	3.2
110.02447	2.9
110.03737	3.7
111.00847	1.3
123.08151	1.5
125.09737	6.9
127.11266	1.2
135.08151	1.7
136.05226	1.7
142.02722	1.9
155.14436	2.3
163.11285	9.5
181.12320	31.5
182.12587	1.6
183.10202	2.0
197.11795	1.6
199.07664	2.3
199.13393	24.2
200.13737	1.3
201.11310	7.4
207.10257	57.0
208.10652	2.6
210.57076	1.3
225.11299	99.2
226.11597	4.9
243.02951	3.0
243.06918	7.9
243.12352	100.0
243.16113	3.5
244.12747	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	241.0119
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	11.4
59.01364	36.7
60.99188	17.9
70.23657	27.6
71.01379	40.4
72.04525	6.9
72.99296	21.0
73.02927	8.6
78.95888	12.9
82.02977	14.1
83.01389	17.5
85.02939	18.4
87.00872	17.8
96.00900	16.8
96.96942	9.0
99.00883	55.0
101.02438	9.8
110.00661	8.8
111.00872	21.0
112.98797	100.0
123.85768	7.0
126.01978	8.8
129.01920	24.2
137.06067	8.7
138.46924	7.3
142.99838	82.3
145.01369	18.2
148.42305	7.3
153.01215	8.5
153.03799	8.5
153.05539	6.8
153.99658	10.1
155.07123	11.5
157.21613	7.2
173.00897	91.8
181.04974	8.1
193.85663	6.8
199.06107	20.8
205.03458	36.6
208.98495	16.3
241.01228	20.3
241.07251	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	241.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
55.15297	4.5
55.15608	4.4
57.03455	6.3
57.18295	4.6
57.41575	4.7
59.01381	18.3
61.98831	73.9
63.48934	4.7
71.54913	7.6
71.57761	5.4
83.04981	8.3
97.06614	7.0
103.19858	5.3
103.92014	25.4
106.43094	5.0
107.72240	4.9
108.02167	8.6
111.08168	13.1
118.91787	14.9
125.02419	8.3
142.54343	5.1
149.91260	14.3
153.01920	5.6
165.12856	100.0
166.13150	8.1
197.15454	25.2
213.91635	14.3
226.06345	14.5
240.90167	12.7
241.05014	11.5
241.10802	9.0
241.14369	9.1
241.18129	19.4
241.21722	37.7
242.17674	6.7
242.84531	4.9
254.70773	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	239.1652
Annotation	Putaminoxin D
Peak:m/z	Relative Intensity
54.37051	0.7
57.03449	5.1
59.01384	4.1
69.03443	2.9
69.21632	7.3
69.22018	1.6
71.01380	12.5
72.02164	27.1
73.02951	1.7
73.40070	0.7
76.71945	0.7
81.03459	1.4
83.05022	14.4
85.02956	2.2
87.04513	25.3
97.06588	7.1
98.03738	10.6
99.04509	5.6
111.08138	4.2
123.08136	2.6
137.09776	1.7
139.11267	2.4
149.09694	3.7
151.11253	6.2
165.12825	17.6
167.14418	13.4
170.41940	0.8
185.15417	1.2
187.11378	0.9
195.13899	5.1
197.15454	25.3
197.17235	1.6
198.15771	1.0
203.14359	2.1
209.15482	1.0
211.13350	2.3
211.16948	3.3
221.15472	7.6
234.55232	0.7
239.16507	100.0
240.16821	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	241.0119
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	11.4
59.01364	36.7
60.99188	17.9
70.23657	27.6
71.01379	40.4
72.04525	6.9
72.99296	21.0
73.02927	8.6
78.95888	12.9
82.02977	14.1
83.01389	17.5
85.02939	18.4
87.00872	17.8
96.00900	16.8
96.96942	9.0
99.00883	55.0
101.02438	9.8
110.00661	8.8
111.00872	21.0
112.98797	100.0
123.85768	7.0
126.01978	8.8
129.01920	24.2
137.06067	8.7
138.46924	7.3
142.99838	82.3
145.01369	18.2
148.42305	7.3
153.01215	8.5
153.03799	8.5
153.05539	6.8
153.99658	10.1
155.07123	11.5
157.21613	7.2
173.00897	91.8
181.04974	8.1
193.85663	6.8
199.06107	20.8
205.03458	36.6
208.98495	16.3
241.01228	20.3
241.07251	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	239.1288
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50546	0.3
57.03448	1.1
59.01384	2.3
67.28746	0.3
69.80289	0.3
69.97453	0.3
70.36183	1.2
70.36546	0.6
71.01373	1.5
72.99303	1.2
73.01159	0.4
85.02937	0.5
87.00884	1.0
95.08678	0.6
97.06595	0.7
101.00656	0.6
121.06593	7.7
123.08230	0.4
124.79667	0.4
137.09723	100.0
138.10068	3.5
149.09758	2.2
151.11287	1.8
161.09735	1.0
167.14429	1.4
175.11305	0.6
178.10028	0.4
179.05615	1.7
192.10863	0.4
193.12274	0.9
195.08221	1.2
205.12370	0.6
221.10045	1.1
221.11923	0.8
223.02921	0.6
239.11127	6.7
239.12932	98.4
240.11075	0.5
240.13235	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	239.1111
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03754	0.3
59.01367	1.7
63.96230	0.8
69.20689	2.9
69.21091	0.5
73.01173	6.2
85.02933	0.5
97.01178	0.6
97.06614	2.1
98.99083	0.9
99.02730	0.4
109.02916	0.5
121.06580	0.5
123.08155	0.4
141.03755	0.4
141.70512	0.3
155.05351	0.4
161.09735	1.7
176.14613	0.3
179.05641	1.6
179.09032	0.4
187.11275	1.3
193.08855	0.3
195.13922	0.6
197.10158	0.7
205.12292	2.2
221.09967	0.7
223.02798	0.6
239.11107	100.0
240.11417	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	239.1289
Annotation	5OH-HIP
Peak:m/z	Relative Intensity
50.24164	0.5
53.73441	0.6
59.01376	0.9
67.01510	0.5
70.05534	2.0
76.83360	0.5
95.05032	1.5
99.55792	0.5
101.06083	8.3
109.06580	4.8
111.08166	5.8
125.09698	1.1
138.06880	1.1
139.04016	13.3
145.40506	0.6
151.11362	0.9
154.06358	30.6
155.06694	1.3
167.14398	9.0
179.05592	1.1
179.10802	4.6
180.63118	0.6
182.05812	3.4
195.13898	100.0
196.14227	5.2
239.12917	5.3
239.16536	0.6
242.16885	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.1288
Annotation	Drummondol
Peak:m/z	Relative Intensity
54.50546	0.3
57.03448	1.1
59.01384	2.3
67.28746	0.3
69.80289	0.3
69.97453	0.3
70.36183	1.2
70.36546	0.6
71.01373	1.5
72.99303	1.2
73.01159	0.4
85.02937	0.5
87.00884	1.0
95.08678	0.6
97.06595	0.7
101.00656	0.6
121.06593	7.7
123.08230	0.4
124.79667	0.4
137.09723	100.0
138.10068	3.5
149.09758	2.2
151.11287	1.8
161.09735	1.0
167.14429	1.4
175.11305	0.6
178.10028	0.4
179.05615	1.7
192.10863	0.4
193.12274	0.9
195.08221	1.2
205.12370	0.6
221.10045	1.1
221.11923	0.8
223.02921	0.6
239.11127	6.7
239.12932	98.4
240.11075	0.5
240.13235	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	237.0955
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15401	0.3
53.28802	0.3
55.65897	0.4
56.98038	1.6
57.03420	0.4
59.01365	2.0
65.20614	0.3
69.41732	2.5
71.01373	2.2
73.02940	0.7
79.05569	0.5
81.03455	1.1
83.01396	0.6
85.02954	0.8
87.00864	1.1
87.54111	0.4
98.99100	27.0
99.99432	0.6
101.02473	1.8
108.02179	2.2
108.04559	1.1
109.02977	0.5
113.02465	0.6
114.12133	0.3
119.08692	0.9
121.06582	10.2
137.09720	26.9
138.10075	1.1
145.06578	0.6
159.08115	0.4
160.08908	0.9
161.04549	0.7
161.09721	8.0
163.07643	0.4
181.10278	0.4
187.07632	3.5
193.10287	0.5
203.10768	100.0
204.11121	4.7
209.09676	0.6
219.08179	0.6
222.06781	0.5
237.09488	24.7
237.14827	1.1
238.09705	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.0979
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	13.6
57.03449	6.5
58.00600	2.7
59.01379	87.0
69.64927	1.7
70.15462	6.5
70.15871	3.5
71.01384	99.7
72.99310	3.9
73.02944	34.8
75.00874	6.2
75.04524	2.5
76.92175	1.9
83.01380	20.1
85.02950	53.7
87.00854	9.4
89.02456	13.2
91.42181	1.8
95.01389	7.5
98.19933	3.3
99.00882	15.0
101.02444	100.0
109.83641	1.9
111.00819	1.9
113.02448	38.8
125.02453	3.2
129.01929	2.6
143.03513	2.7
158.91931	1.8
159.02969	8.5
161.04539	34.7
165.93150	1.7
237.06262	2.5
237.09811	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	239.1111
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12294	0.5
53.86700	0.5
56.98041	2.2
59.01387	4.0
69.03475	0.6
69.37884	2.7
69.38306	1.8
71.01395	1.2
72.99312	4.5
73.01169	4.2
79.05552	0.7
82.99621	1.4
85.02957	0.7
87.00886	1.3
95.05040	0.8
97.02940	0.7
97.06586	1.2
98.99119	2.1
101.00666	10.3
109.02947	1.3
109.06625	1.4
119.04998	0.7
121.06600	5.8
123.08206	0.8
126.41961	0.6
133.17879	0.6
135.08182	0.6
137.09726	58.7
138.10057	2.2
139.02245	0.8
149.09758	1.1
151.11290	16.2
161.04616	1.1
161.09735	4.2
165.12822	3.5
167.14404	1.1
171.08173	0.6
175.11284	1.2
177.12871	6.2
178.09996	7.9
179.05557	3.2
179.10497	0.6
187.11270	5.6
193.12335	19.2
195.08434	2.8
195.10220	1.3
195.13939	1.0
197.10019	0.8
203.10849	0.9
205.12396	10.9
221.10031	1.9
221.11870	4.3
223.02859	0.9
239.11044	72.3
239.12935	100.0
240.11151	5.3
240.13521	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	237.0921
Annotation	Micrandrol A
Peak:m/z	Relative Intensity
59.01376	0.8
70.65569	1.4
71.01356	0.9
82.50206	0.4
91.05534	26.2
101.02428	0.7
102.41380	0.4
112.96207	0.5
117.03466	28.7
118.03805	0.9
119.05027	6.1
135.04530	1.9
146.03850	0.6
153.44305	0.5
162.85756	0.5
164.01398	0.5
189.64717	0.5
209.09747	0.5
211.87486	0.4
219.08232	0.6
237.09200	100.0
238.09560	7.2
239.18945	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.0921
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44551	0.4
59.01374	2.4
61.98842	1.1
69.27381	0.5
70.86730	0.9
70.99751	0.5
71.01381	1.8
73.02953	1.2
83.10217	0.5
85.02954	1.0
89.02480	0.5
91.05535	18.9
101.02435	1.6
113.02478	0.5
117.03468	28.6
118.03766	0.6
119.05027	5.8
135.04510	2.8
209.09758	1.1
227.96043	0.5
237.09204	100.0
238.09529	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	236.0564
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29062	0.8
69.63880	1.9
69.64285	3.5
71.01382	14.3
86.28815	0.8
115.00382	29.5
120.04557	100.0
121.02959	27.4
121.03600	0.5
121.03849	0.8
121.04877	2.9
130.06674	1.2
146.06120	1.8
148.07687	10.1
153.74196	0.8
174.05585	12.9
177.99168	0.8
192.06657	39.3
193.07008	1.6
194.65817	0.8
218.04568	4.7
236.05643	46.4
237.05952	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	236.1054
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82665	0.2
59.01371	0.4
61.98830	0.8
71.01408	0.3
71.38691	0.5
75.04144	0.2
75.65058	0.2
88.92673	0.2
118.39321	0.2
129.18704	0.2
134.03773	0.6
135.04555	0.4
136.05286	0.7
148.05310	11.3
149.05814	0.3
149.09727	1.6
153.10588	0.3
162.06874	0.6
175.07655	0.5
176.08388	1.0
177.09213	48.9
178.09550	2.3
180.07980	0.4
190.09993	1.8
191.10748	0.9
192.11563	33.5
193.11928	1.5
201.09227	0.6
203.07124	0.7
217.08682	3.7
217.10532	0.4
218.09468	9.3
219.09880	0.4
224.10492	0.2
236.10536	100.0
237.10902	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	235.1339
Annotation	Montiporic acid A
Peak:m/z	Relative Intensity
55.24600	3.6
59.01375	43.3
61.59694	3.0
61.98835	31.4
62.52693	3.1
69.03455	5.9
70.03695	15.6
71.01383	16.4
83.05027	4.3
85.02966	7.4
87.04518	5.0
89.02457	4.0
94.02981	6.7
98.20596	3.6
101.02452	8.0
113.02447	4.9
123.08157	3.7
137.09708	3.9
147.04436	4.1
161.13361	91.5
162.13737	3.7
163.00305	4.6
173.13333	9.7
178.79393	3.6
190.99950	6.3
191.07001	4.3
191.10809	7.4
191.14494	10.4
196.63029	3.9
217.06131	4.4
235.02460	4.8
235.05894	4.5
235.07835	4.4
235.09834	6.4
235.13431	100.0
235.15833	9.8
236.13672	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	235.1339
Annotation	(+)-Oxyglutinosone
Peak:m/z	Relative Intensity
57.03448	4.8
59.01374	1.7
59.38814	0.4
69.44732	0.4
70.09910	1.6
71.01404	0.6
76.22659	0.4
81.03459	0.9
81.07087	0.6
83.05027	0.8
83.61441	0.4
85.02949	4.2
87.04527	0.8
95.05028	1.6
95.08658	0.9
107.05060	0.8
113.06100	2.2
119.05051	0.4
120.04397	0.4
121.06593	3.2
121.10244	3.4
123.08208	0.5
135.08183	0.6
137.09727	15.0
138.10126	0.5
145.10289	0.4
145.37561	0.4
147.08157	7.0
153.09203	0.5
157.06575	1.1
159.08282	0.7
163.11284	100.0
164.11617	5.0
165.09158	1.3
165.12856	0.5
173.09659	2.0
175.11275	3.3
183.08105	0.8
189.12808	1.0
191.10800	0.9
199.11258	1.0
201.09200	10.3
202.09984	1.9
217.12320	42.5
218.12694	2.7
219.10262	0.5
235.13380	74.5
236.13713	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	233.1033
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	3.0
59.96727	0.6
60.97507	0.6
66.14609	0.3
69.54755	1.5
74.99070	9.1
75.96249	0.6
84.25277	0.2
91.02209	1.0
93.00140	1.8
97.54655	0.3
100.64233	0.3
118.96233	1.8
133.98518	0.3
134.99397	7.6
136.97279	1.6
141.07420	0.5
143.05325	1.2
149.00955	73.3
150.00919	2.9
150.98875	0.7
159.08441	2.0
161.06396	3.3
167.01917	0.5
191.08459	0.3
201.04028	0.5
215.05597	1.4
217.07198	100.0
218.07344	6.1
233.10329	94.7
233.15288	9.1
234.10484	6.6
234.15750	0.3
235.08279	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	234.1498
Annotation	Huperzine W
Peak:m/z	Relative Intensity
59.01374	2.2
61.98829	0.7
71.01364	0.6
91.01880	0.4
95.76254	0.3
97.78907	0.5
101.79128	0.4
121.06578	0.4
147.04523	0.4
163.00299	0.5
179.07097	0.5
191.06969	0.7
207.13780	0.5
218.11797	2.4
219.12430	0.6
234.14964	100.0
235.13298	0.5
235.15276	5.7
251.11641	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	235.0823
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	0.6
58.57391	0.5
59.01378	39.6
63.96234	1.4
64.96993	0.7
69.03446	0.6
71.01376	3.1
71.05037	1.0
72.99302	8.4
73.02950	9.5
75.00875	2.8
83.01385	0.7
85.02943	1.4
86.06113	1.0
87.00871	7.0
87.04513	1.4
88.04034	4.8
92.05088	2.9
95.84515	0.6
101.02464	1.2
103.04007	4.8
105.03800	3.6
113.02419	0.8
117.05577	100.0
118.02956	0.8
118.05919	2.1
119.04999	1.2
120.04557	4.0
128.05080	1.6
130.06609	1.8
131.03784	1.6
131.04982	0.7
132.04536	1.0
134.03639	0.7
134.06113	1.2
135.03026	1.0
144.04546	11.9
145.08690	1.6
146.02469	3.3
146.06120	7.1
147.03291	1.1
147.04532	1.9
147.91133	0.5
148.04033	11.2
159.03169	0.6
160.04041	3.5
161.04521	0.7
162.05618	0.6
164.07178	1.8
172.04053	1.5
172.09792	5.0
173.06126	0.6
174.05574	9.4
190.05090	4.2
191.07144	1.0
192.06682	2.6
217.10828	2.3
218.04593	1.2
235.06134	2.8
235.08160	2.0
235.11865	5.6
235.16132	0.7
236.05621	18.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.0666
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	6.2
57.03453	4.0
58.00587	6.3
58.62887	2.3
59.01381	100.0
69.03463	3.1
71.01384	68.3
71.53728	3.3
72.99316	12.5
73.02959	9.1
73.61062	2.2
75.00861	3.7
81.03453	5.9
83.01383	5.7
83.05038	2.5
85.02946	26.6
87.00858	3.8
89.02439	22.5
93.03458	3.4
97.02951	5.0
99.00885	48.6
99.04524	8.2
101.02434	35.0
104.03582	2.2
109.02956	6.1
111.00900	2.9
111.04488	2.5
113.02450	23.0
115.00384	2.7
119.03511	17.9
127.04002	3.7
129.01888	2.6
134.05489	2.0
135.04494	5.7
136.10455	2.4
137.02448	7.1
139.00404	2.3
143.03481	5.4
147.06660	3.1
158.08105	3.0
158.99547	2.2
173.04523	4.1
182.41441	2.5
233.06725	13.1
233.10358	9.9
233.15442	57.1
234.09811	7.7
234.15918	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	233.0664
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30719	1.8
50.35965	1.9
54.38582	2.3
57.03442	4.4
58.00576	2.9
59.01380	85.1
67.01884	2.9
69.03451	4.7
70.27069	4.7
70.27465	4.1
71.01380	34.5
71.05009	7.3
72.99310	12.2
73.02940	8.1
74.02440	2.6
75.00845	3.5
75.26009	1.8
75.94843	1.8
81.03445	7.1
83.01385	4.4
83.05014	4.3
85.02964	19.9
85.06560	3.7
87.00878	21.0
87.04532	2.4
89.02442	3.4
93.03447	5.7
94.95657	2.3
96.95986	8.0
97.02952	11.2
99.00867	7.2
99.04532	13.0
101.00646	2.8
101.02444	10.6
101.06036	3.3
103.00345	4.2
103.02191	3.0
104.03499	2.2
105.01911	3.2
111.00888	4.6
111.04512	4.3
113.02438	3.3
115.00378	5.3
115.04070	2.9
116.07152	2.1
117.05556	9.2
117.07492	3.1
120.99667	3.3
123.04515	2.9
125.02465	3.1
128.03537	4.0
129.01923	8.7
129.05554	7.7
139.04080	3.0
143.03502	22.2
145.00804	15.4
147.06641	100.0
148.29225	2.0
160.03990	3.9
161.00372	2.5
161.04585	4.1
171.06654	3.7
171.10301	2.1
172.88200	2.3
173.04521	4.7
173.08205	3.8
181.37671	2.0
188.99901	10.2
189.07683	4.4
215.05525	2.6
215.09239	6.1
227.38669	2.1
232.98802	7.9
233.06639	51.9
233.10321	21.3
233.15451	60.6
234.09814	7.4
234.15762	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	233.103
Annotation	ascr#11
Peak:m/z	Relative Intensity
51.33726	0.9
51.61105	0.9
55.01665	0.9
55.01879	10.6
57.03446	8.1
58.00578	3.2
59.01377	62.6
65.19389	1.0
67.01862	1.2
69.03454	2.0
70.99599	1.5
71.01380	100.0
71.05021	9.1
71.53004	1.6
72.01711	1.2
72.99311	8.1
73.02942	37.7
74.02452	1.1
75.00867	5.1
81.03449	2.0
83.01387	21.1
83.05025	2.3
84.02132	1.7
85.02950	53.4
85.06590	1.0
86.02463	1.8
86.03257	1.6
87.00890	6.5
88.04034	3.1
89.02450	4.9
93.03438	3.5
95.01374	8.9
97.02927	3.1
97.06591	2.5
98.44279	1.0
99.00882	15.6
99.04517	2.2
101.02441	69.1
104.03538	18.2
111.00871	1.9
111.04498	3.2
113.02451	37.5
113.06061	1.4
115.03930	1.6
117.05556	1.8
120.99641	2.7
121.22514	1.1
125.02448	1.5
125.06061	2.1
127.07661	1.1
129.01901	2.6
129.05569	1.5
143.03482	3.0
146.08202	3.4
147.03255	3.3
147.06625	2.9
158.08153	2.3
159.02960	4.8
160.04050	1.3
161.04573	12.3
169.04083	2.1
171.05579	3.9
173.04463	2.9
188.09293	2.0
215.09341	4.9
233.06526	3.6
233.10341	26.8
233.15419	38.1
234.09830	16.6
234.15775	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	230.0128
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34420	0.9
55.01893	0.8
58.02976	6.4
59.01109	1.0
59.01383	15.5
66.03474	1.3
68.99825	1.3
70.20916	3.3
70.99610	1.0
71.01370	4.6
72.01720	1.8
73.01176	7.3
80.05063	1.9
81.03442	0.8
82.02990	8.1
83.01392	0.8
85.02969	1.7
85.58304	0.8
87.00886	8.2
87.96465	0.8
88.01223	3.1
96.04555	28.1
98.02475	1.0
98.99107	4.6
99.02760	0.9
100.07682	1.6
108.04561	30.1
109.04887	1.0
114.00198	86.3
114.09240	5.5
115.00541	1.2
118.78548	0.8
126.02688	1.0
126.09258	11.3
128.07129	2.1
130.08752	1.9
142.03323	100.0
142.08730	10.9
143.03647	3.1
143.11830	1.0
146.08241	1.4
152.15367	0.9
170.08266	4.2
186.02303	39.7
187.10912	2.0
188.09288	37.2
189.09535	1.1
230.01273	77.0
230.10332	3.7
231.01634	3.1
231.08698	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	230.1033
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02975	14.8
59.01381	32.0
60.60015	0.9
65.44493	0.9
65.83739	1.0
68.99846	1.1
70.52203	2.1
70.52528	1.1
71.01373	3.9
71.05004	1.1
72.01706	1.6
72.99302	2.0
73.02927	1.2
78.54974	0.9
81.01202	1.0
82.02970	1.9
84.01745	1.2
85.02955	1.1
87.00871	4.2
88.01199	2.2
96.04558	2.2
97.06628	1.1
98.02451	1.6
99.00872	2.2
100.01207	2.3
100.04052	1.1
100.07684	4.4
102.05598	4.4
108.04562	3.4
111.00908	1.5
112.01259	1.3
112.98781	2.0
113.99124	3.2
114.00219	7.1
114.05610	1.4
114.09238	11.9
125.06074	1.2
126.09253	33.2
128.07184	1.9
142.03307	6.7
142.08736	23.7
146.02420	1.1
146.08235	2.1
168.06609	1.7
170.08258	9.7
174.01259	1.4
186.02206	2.9
186.07721	1.5
188.09282	100.0
189.07678	1.6
189.09552	3.6
230.01398	6.0
230.06627	2.9
230.10286	4.3
231.05038	1.4
231.08727	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	230.1033
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	0.9
58.02980	17.5
59.01382	34.5
62.96578	0.8
68.05042	1.1
68.99824	2.5
69.03445	1.1
71.01393	6.8
71.53448	1.2
72.01730	3.4
72.04565	1.2
72.99316	4.9
73.02937	0.9
75.00855	1.0
82.02997	2.3
83.01399	2.0
84.01714	2.0
85.02955	1.7
87.00867	8.8
88.01212	4.4
96.04580	1.9
97.02931	1.1
98.02486	2.7
98.03329	0.7
99.00884	3.6
100.01243	2.0
100.07720	4.1
101.02445	0.8
102.05600	5.6
103.90800	0.8
108.04573	1.8
111.00904	2.0
112.01241	3.3
112.98809	5.0
113.99162	6.7
114.00158	5.5
114.09256	13.2
114.99228	1.1
126.09251	33.2
127.00269	0.8
128.07175	2.5
129.01952	1.5
130.02281	2.5
132.98157	2.6
135.99040	0.8
139.04004	0.9
142.03316	6.5
142.07671	1.6
142.08742	23.5
144.00291	0.9
146.08249	2.0
168.06656	2.8
170.08243	9.1
172.06055	1.0
174.01245	2.4
186.02307	2.4
186.07726	2.8
188.09283	100.0
188.97186	4.0
189.09607	3.7
212.05554	1.2
230.01471	4.4
230.03804	1.9
230.06618	4.9
230.10309	3.2
231.05171	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.0352
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40544	0.7
55.01876	3.3
57.03444	1.1
59.01381	5.8
63.03787	0.7
67.01878	1.6
68.99816	26.6
69.03463	7.8
69.73112	4.3
69.73399	1.2
71.01381	56.9
72.99305	4.4
73.02946	7.4
75.00871	3.4
79.01904	1.4
81.03451	2.1
83.01379	11.0
83.04915	0.7
85.02946	8.3
87.00875	100.0
95.01385	3.6
96.99319	3.1
97.02951	7.3
98.20615	1.5
99.00880	13.6
99.20660	0.8
101.02465	4.1
107.01387	0.8
109.02932	2.2
111.00175	1.1
111.00893	10.4
113.02439	6.0
115.00357	2.1
116.01102	0.8
120.89661	0.8
123.00890	1.2
125.02408	4.3
127.00359	9.9
129.01950	11.5
134.16858	0.8
137.02415	1.2
139.00363	1.6
141.01917	4.3
153.01947	1.7
153.63835	0.8
155.07394	0.8
157.01411	5.4
169.01387	1.4
174.01671	1.8
181.01498	1.7
197.35170	0.7
199.02525	2.6
229.03503	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	227.1289
Annotation	Traumatic acid
Peak:m/z	Relative Intensity
57.03437	0.5
59.01389	0.4
59.06297	0.4
70.60966	0.5
80.02673	1.8
81.03444	1.8
83.05025	6.9
84.02160	2.9
84.22153	0.5
93.03454	0.5
95.05001	1.0
95.87817	0.4
97.06575	0.6
111.00898	0.4
123.08131	0.5
125.06081	0.7
135.08156	1.2
135.43437	0.4
136.91412	0.4
137.02426	0.5
160.61996	0.5
163.11298	5.6
165.12843	4.0
181.12340	1.0
183.13872	2.3
191.10744	1.3
192.08524	0.5
199.13394	0.7
205.21040	0.5
209.11826	100.0
210.12151	4.6
227.07152	1.2
227.12849	4.3
227.20215	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1288
Annotation	Traumatic Acid
Peak:m/z	Relative Intensity
57.03444	0.5
69.17821	0.2
69.18128	2.4
95.02632	0.2
98.19852	0.4
104.15753	0.2
111.07478	0.3
111.08144	1.3
147.66620	0.2
165.12843	19.6
166.13191	1.0
181.12355	0.3
183.13892	100.0
184.14233	5.3
209.11803	1.8
227.12883	15.1
227.50735	0.2
228.13258	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.134
Annotation	3-Oxo-2-(2Z-Pentenyl)cyclopentyl propionic acid
Peak:m/z	Relative Intensity
53.21053	0.8
57.03450	1.7
59.01377	9.7
61.98827	11.7
66.79704	0.8
69.03463	8.0
70.86701	2.2
71.01374	2.4
71.05009	2.1
73.02952	1.5
74.99066	1.3
83.05003	1.7
85.02948	1.0
85.06606	2.1
93.03492	1.0
95.04984	1.2
101.02438	2.1
109.06550	1.7
122.50480	0.9
125.09731	1.4
135.11809	1.0
141.86784	1.2
146.05136	1.0
149.09761	1.5
161.13341	1.2
165.01874	1.1
166.06300	3.1
166.30481	0.9
167.10750	10.6
167.84923	0.8
170.82745	0.9
176.83675	3.0
177.12834	1.3
179.10747	5.6
179.14432	11.2
193.01392	1.2
195.13889	30.9
196.14217	1.9
205.12329	21.3
206.12636	1.0
223.02837	6.0
223.13380	100.0
224.13698	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	223.1339
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
53.43674	1.3
56.56345	1.2
57.03450	72.6
58.00591	1.3
59.01381	13.8
69.03453	4.3
71.01395	10.8
71.05029	2.8
71.55793	1.5
71.73344	1.4
72.74490	1.4
73.02945	18.3
75.93222	1.3
79.64156	1.5
81.03483	1.8
83.01362	1.7
83.05022	5.9
85.02946	6.1
85.06586	3.7
93.03442	1.9
95.05009	4.2
97.06580	4.2
99.04517	4.5
101.02436	5.5
107.05043	2.4
109.02921	1.5
109.06564	3.6
111.00900	2.6
113.02486	1.6
113.06086	42.6
115.11562	1.5
121.02962	4.5
121.06543	2.3
123.08172	9.5
125.02469	1.8
125.06077	5.8
125.09740	3.2
129.01907	2.1
135.08179	9.4
137.06050	5.8
137.09726	29.3
139.07654	4.9
147.08147	4.3
149.02391	2.7
149.06058	3.4
149.09747	2.9
151.07635	6.4
151.11339	7.7
153.09221	45.9
161.09662	3.7
163.11298	18.3
164.04782	2.7
165.09204	31.4
175.07639	12.8
176.08412	1.4
177.12772	3.3
178.09985	1.6
179.05371	3.3
179.10783	5.7
181.12329	3.1
187.11284	25.9
189.09212	2.6
190.09956	3.7
193.01385	2.4
193.12334	10.3
194.99438	1.9
195.13879	4.7
205.12323	53.2
206.12646	4.1
208.03738	5.3
208.11031	18.4
223.02655	2.9
223.06267	1.7
223.11633	4.0
223.13383	100.0
224.13756	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	223.0612
Annotation	Calaminthone
Peak:m/z	Relative Intensity
54.90991	0.7
55.01869	1.3
57.03448	4.0
59.01381	65.8
60.51270	0.8
69.19198	2.1
69.19601	8.2
71.01393	5.5
72.99313	17.9
73.02950	4.7
75.00874	7.2
83.01382	2.4
83.70746	0.8
85.02954	18.5
86.03316	0.9
89.25833	0.8
91.05556	1.8
101.02460	4.5
101.03964	13.6
103.96613	0.9
109.02922	1.0
109.39964	0.7
111.00878	7.3
113.02469	1.2
117.03478	8.9
119.05035	100.0
120.05370	2.4
121.02933	0.9
124.95899	0.9
125.02512	0.8
129.01952	4.8
131.05009	1.9
133.06580	3.2
135.04521	4.6
137.06183	0.9
147.02975	1.0
161.04729	1.7
161.06062	5.2
163.04015	22.1
163.06082	0.9
164.04570	1.1
179.03401	0.8
179.07062	2.0
179.10756	1.4
181.05078	46.9
182.05383	2.4
193.01405	2.0
193.05006	1.1
205.03444	6.2
205.05090	3.7
208.07529	1.0
223.02626	2.0
223.04280	4.2
223.06187	2.9
223.09731	1.8
223.13327	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1546
Annotation	Kobusone
Peak:m/z	Relative Intensity
51.10529	0.2
51.81037	0.1
59.01373	0.4
61.98816	0.1
69.21622	0.5
69.22043	0.9
98.19853	0.3
127.07635	0.6
148.05275	0.4
149.06050	0.4
151.07736	0.3
164.08405	2.3
205.12309	1.5
206.12703	1.1
207.13846	0.8
220.14673	3.6
221.15450	100.0
222.15788	5.9
235.13359	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0458
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	4.5
57.03448	21.2
57.27483	0.6
58.00591	0.8
59.01378	22.9
67.01881	1.2
68.99802	1.8
70.32413	1.6
70.32758	1.8
71.01379	14.6
72.99318	7.6
73.02937	4.4
75.00872	8.1
80.96816	0.8
83.01392	11.3
84.02168	2.9
85.02950	100.0
86.03302	1.3
87.00887	5.0
93.03458	1.4
96.92597	0.8
99.00880	1.2
99.76276	0.8
101.02440	12.7
101.03951	2.3
103.00356	1.7
103.04017	1.9
111.00880	50.3
112.01182	1.3
117.03456	1.9
119.05030	16.6
125.02416	1.4
125.29910	0.7
129.01941	32.0
135.04520	4.9
135.08130	1.8
137.02498	1.2
143.03450	1.0
147.02959	5.9
159.02893	1.0
161.04527	3.1
161.05995	0.9
163.03993	4.7
164.04788	0.9
165.01868	0.9
179.05647	1.0
179.07079	2.6
181.05075	7.5
187.02437	2.7
205.03520	39.4
206.03952	1.8
208.03770	1.0
208.07567	1.0
210.81660	0.8
223.02724	2.0
223.04538	33.2
223.06075	1.6
224.04782	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0459
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25326	0.7
55.01879	3.7
57.03449	19.9
59.01380	14.9
67.01881	1.2
68.99814	1.7
69.48831	5.0
71.01383	15.6
72.99308	5.0
73.02940	8.2
75.00875	6.3
80.22251	0.5
83.01386	13.6
84.02155	3.1
85.02951	100.0
86.03300	1.9
87.00870	4.6
88.01701	0.6
93.03462	0.8
96.96027	0.7
99.00882	2.4
101.02442	14.0
103.00369	1.4
103.03982	1.9
104.08968	0.7
111.00883	47.5
117.01941	3.5
119.05039	1.3
125.02424	0.6
129.01945	27.7
133.05080	0.6
143.03520	1.5
147.02979	6.6
149.02400	0.9
151.08757	1.4
152.01270	0.7
161.04546	4.4
163.03978	0.6
164.04898	1.0
179.07077	0.7
179.11871	1.0
187.02538	3.0
193.01393	0.8
196.31667	0.6
205.03522	39.7
206.03944	1.5
208.03754	1.8
220.88068	0.7
223.04555	35.2
224.04924	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.046
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99377	1.6
55.01878	5.7
55.53319	1.2
57.03445	19.3
58.02983	2.1
59.01381	20.6
63.96234	2.8
67.87004	1.2
68.99789	1.3
69.36131	10.6
71.01385	20.3
72.99309	16.4
73.01186	2.3
73.02946	5.5
74.99109	7.1
75.00879	6.4
78.98591	13.4
81.03459	5.7
83.01392	14.7
84.02164	2.5
85.02950	100.0
87.00884	6.4
87.02736	3.6
89.00652	2.1
91.02207	8.3
95.87124	1.3
99.00883	6.3
100.90733	1.3
101.02448	16.5
103.04002	2.2
107.05013	1.8
111.00880	43.6
112.98840	1.2
113.02437	4.2
113.96859	1.3
115.03976	1.4
117.01936	2.4
117.03782	2.4
117.85751	1.3
120.99628	2.6
123.32387	1.2
125.02452	19.6
129.01949	47.5
135.01245	9.8
135.04866	12.8
143.03488	3.4
147.03001	17.7
161.04550	3.3
179.09079	4.3
181.01735	7.5
181.07016	5.3
187.02556	2.6
191.70938	1.3
197.10994	1.2
205.03525	47.0
223.02742	4.3
223.04582	57.8
223.06157	2.7
223.08115	3.0
224.04987	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1237
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03967	0.3
57.03245	0.2
57.03449	2.7
61.46478	0.2
69.03457	0.4
69.20495	2.7
71.05023	1.5
72.99297	0.4
73.02934	0.3
74.02444	0.3
80.93942	0.2
81.03477	0.3
83.05025	3.2
84.02134	0.3
85.02959	1.2
85.06590	2.6
87.04511	0.8
95.05027	3.6
96.01251	0.2
97.06561	0.5
101.06091	1.1
113.06086	2.6
113.09782	0.6
115.07646	4.6
123.08163	2.4
125.09724	7.6
132.04535	0.4
133.72614	0.3
135.08163	1.3
141.09201	0.3
143.10780	2.2
147.04541	0.3
153.09219	4.1
155.10780	4.2
157.07704	4.1
158.06133	0.4
171.10184	0.3
173.11823	26.4
174.12172	1.1
217.10809	0.8
219.12363	100.0
219.17442	2.3
220.12709	4.4
220.17886	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1237
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44378	0.2
57.03444	2.4
59.80196	0.2
69.55711	1.7
71.01357	0.3
71.05014	1.2
72.99297	0.4
73.02955	0.6
75.00898	0.3
83.05008	0.3
85.06558	0.3
95.05026	0.5
97.02985	0.3
97.06597	2.7
99.08163	1.2
109.06583	5.2
111.08220	0.3
113.06050	0.3
113.09724	1.4
115.07641	0.4
119.04994	0.3
119.23463	0.2
123.08179	3.0
124.08440	0.2
125.09721	6.9
126.09997	0.4
127.07678	2.8
127.11269	0.5
129.09198	0.7
131.03751	0.4
132.08159	0.4
135.08156	0.5
137.09711	0.6
138.02818	0.2
141.09221	8.3
142.09534	0.2
143.10779	26.9
144.11110	1.1
146.06116	0.6
153.09219	0.9
155.10767	3.3
163.65694	0.2
173.11806	1.6
176.07153	0.8
183.79697	0.3
185.39801	0.2
189.05835	0.3
201.11285	0.5
213.65553	0.3
217.10815	0.6
219.12366	100.0
219.17516	3.2
220.12694	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	217.1081
Annotation	3-Hydroxysebacic acid
Peak:m/z	Relative Intensity
52.09761	0.8
57.03449	14.6
59.01379	100.0
65.92371	0.9
66.23886	0.8
68.56250	0.8
70.47488	0.9
71.05018	1.1
71.55113	1.2
91.05499	1.1
97.82599	1.0
100.98969	0.8
106.35765	1.0
113.09736	5.1
123.39755	0.9
127.11349	1.2
133.06607	1.6
137.09668	0.8
145.02968	3.3
145.06606	1.1
155.10812	5.9
157.06584	1.0
157.08696	2.7
171.10265	7.0
173.02467	2.2
173.06087	1.6
173.09782	4.3
175.11252	8.8
199.11324	1.5
201.09198	5.7
202.09991	3.9
217.01471	1.3
217.04713	3.0
217.10674	8.1
217.12323	36.5
217.14432	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	218.1033
Annotation	Sodium pantothenate
Peak:m/z	Relative Intensity
57.16561	0.4
58.74549	0.5
59.01373	2.6
60.62159	0.5
63.76759	0.5
68.24548	0.5
69.74933	1.4
69.75346	1.5
71.01380	11.2
71.05019	21.1
72.00900	1.5
77.91898	0.5
88.04039	100.0
89.04395	1.1
99.04516	5.7
116.07175	2.1
125.09730	0.6
129.05579	1.2
131.01767	0.5
143.10840	0.6
146.02441	0.9
146.08231	49.8
147.08533	1.4
173.11827	1.4
174.05531	0.9
174.07764	0.6
218.10323	20.3
219.06616	1.0
219.10532	0.8
219.12363	8.2
219.17490	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	215.0923
Annotation	Botryolide D
Peak:m/z	Relative Intensity
57.03429	0.6
58.29124	0.4
59.01375	5.7
63.92757	0.4
71.01371	0.6
71.05035	0.7
71.54837	0.7
72.99313	2.1
73.02946	1.5
75.94232	0.5
83.05014	0.7
85.02941	0.6
94.65455	0.4
95.05044	0.9
97.06587	0.7
99.04510	0.5
118.48893	0.4
121.06554	0.5
123.08177	3.5
125.06099	1.0
125.09723	28.3
126.10075	0.6
129.05571	0.8
135.08156	1.7
141.09186	1.0
144.00914	1.1
151.07639	1.2
153.09213	16.5
169.08698	8.9
171.10263	13.5
172.05283	0.5
173.08188	0.7
174.09792	0.5
179.07185	0.7
187.04010	0.8
187.07643	0.7
197.08208	5.0
198.56583	0.5
215.00998	7.9
215.03531	1.5
215.09222	100.0
216.09567	3.9
219.63564	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.0029
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02057	0.4
59.01379	100.0
60.01703	1.2
69.06979	0.4
69.33123	3.0
90.97144	1.7
118.96627	0.5
132.98181	2.6
156.99905	0.4
174.99239	29.4
175.99573	0.6
203.34103	0.5
211.11996	0.4
217.00293	28.3
218.00645	0.9
226.28436	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.003
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
61.98833	9.8
67.65795	0.5
71.24483	1.1
90.97147	2.1
96.96030	0.8
118.69104	0.5
124.89139	2.0
132.98175	2.7
170.88710	2.9
174.83801	0.5
174.99251	29.2
188.89517	0.7
199.85112	0.6
216.88008	0.7
217.00291	26.3
218.00703	0.7
218.04707	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1496
Annotation	Putaminoxin E
Peak:m/z	Relative Intensity
59.01379	0.5
97.02988	0.3
98.19851	0.5
108.86712	0.3
133.71815	0.3
133.78279	0.2
146.25528	0.2
165.12808	0.4
177.12859	0.7
183.13893	30.4
184.14203	2.0
195.13890	25.1
195.15762	0.4
196.14226	1.1
211.13390	0.6
213.14951	100.0
214.15303	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.056
Annotation	cis-(Homo)3-aconitate
Peak:m/z	Relative Intensity
50.59166	1.0
55.01873	7.7
57.03434	4.5
58.02962	3.8
59.01382	11.2
68.99810	2.4
69.03445	6.2
70.63589	3.2
71.01379	3.9
71.05012	3.8
71.17265	1.0
72.00909	3.5
72.99292	5.0
73.02946	1.0
78.65420	1.0
80.02686	1.9
80.54307	0.9
80.96516	1.2
81.03461	3.0
83.01379	2.0
83.05015	3.7
84.02177	2.1
85.02947	3.8
85.07767	1.0
85.30021	0.9
87.00887	2.4
87.04539	1.1
88.60020	1.0
91.05524	2.2
93.03437	4.8
94.04259	1.5
95.05035	7.2
97.02946	2.5
97.06588	100.0
98.02483	1.7
98.03741	8.1
98.06927	2.8
99.00883	5.1
99.04518	1.7
99.08157	1.7
100.07675	1.8
101.02461	1.1
107.05017	13.1
108.02160	1.2
109.06587	65.1
110.06911	2.9
111.04517	15.2
112.05276	1.8
113.02408	1.2
114.02317	1.1
114.05593	1.2
115.03977	2.1
122.89407	2.6
123.00874	1.0
123.04530	19.6
125.02426	2.6
125.06066	12.1
127.00333	3.0
127.07653	24.0
128.07161	3.4
130.08748	1.2
135.04524	20.9
135.08122	1.1
139.00352	1.2
139.03981	1.2
141.05577	6.0
143.07109	2.1
144.00880	3.8
144.03040	9.2
151.03999	2.2
153.05568	12.4
153.09146	1.2
156.06648	2.4
169.05054	4.9
171.06621	10.9
173.08235	7.1
174.07727	10.7
186.89661	1.9
187.06090	3.0
197.04552	7.5
215.00926	24.6
215.05492	10.0
215.07411	1.4
215.08980	6.1
227.28510	1.0
236.89926	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1133
Annotation	1-Methyl-3-(1-methylethyl)-1,2-cyclopentanedicarboxylic acid
Peak:m/z	Relative Intensity
55.01868	1.8
57.03440	2.2
59.01373	8.4
61.98822	2.2
69.03456	13.3
71.01399	5.8
71.05021	28.0
78.18647	0.9
79.52714	0.9
93.03462	1.1
95.05025	2.0
97.02943	2.7
97.06588	11.1
98.03732	28.5
99.04510	5.6
99.08163	2.4
107.05016	1.9
113.02448	1.4
113.09731	24.5
115.07656	28.8
118.92439	1.4
125.09727	12.1
127.11286	28.3
141.09206	2.3
142.02731	1.2
151.11285	100.0
152.11600	4.4
154.09998	3.1
169.12340	26.1
195.10316	2.5
213.05627	1.8
213.11314	58.8
213.14838	3.7
213.18636	1.9
214.11636	2.0
227.36441	1.2
234.33382	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1339
Annotation	7-Oxo-11-dodecenoic acid
Peak:m/z	Relative Intensity
50.07013	0.3
51.30014	0.3
56.78146	0.3
57.03431	0.4
57.74060	0.3
59.01371	1.2
61.98832	20.7
63.20489	0.3
66.73439	0.3
67.01894	2.4
68.99841	0.4
69.03456	0.4
69.80350	1.6
71.01363	0.5
71.61303	0.3
80.10212	0.3
83.05013	0.7
85.02934	0.3
85.06584	0.6
89.24912	0.3
95.01375	1.3
99.00876	0.5
109.02985	0.4
121.42254	0.3
123.00880	1.0
124.04065	0.5
125.02458	0.5
125.04381	0.8
125.09732	5.3
137.02431	0.5
139.11218	0.4
145.81674	0.3
149.09886	0.3
151.11267	0.5
164.98276	0.8
167.06114	1.0
167.14420	3.1
181.05136	0.4
183.13901	1.3
193.12321	0.5
210.94943	4.0
210.98941	0.3
211.13388	100.0
211.94611	2.1
212.13718	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	211.1339
Annotation	7-Oxo-11-dodecenoic acid
Peak:m/z	Relative Intensity
59.01353	0.4
61.98810	1.0
69.03452	0.8
69.19182	2.9
71.44500	0.3
71.84402	0.3
83.05011	0.5
89.06219	0.3
100.55128	0.3
101.08212	0.3
155.10768	0.5
165.12817	0.6
167.10733	0.9
167.14368	1.4
183.13896	15.1
184.14288	0.6
193.12318	3.5
197.08820	0.3
211.13383	100.0
212.13741	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	213.1133
Annotation	1-Methyl-3-(1-methylethyl)-1,2-cyclopentanedicarboxylic acid
Peak:m/z	Relative Intensity
55.01869	2.3
59.01369	2.9
61.98834	10.5
69.03462	8.1
70.30121	2.4
70.30480	2.4
71.05021	100.0
72.05346	1.6
76.21139	1.1
84.83125	1.1
85.02966	1.9
87.00863	2.7
87.04514	2.3
97.02954	10.9
97.06592	8.7
99.08151	1.3
113.09718	2.3
115.04021	21.8
115.06911	1.7
115.07653	16.5
118.92429	1.1
120.89886	3.7
121.89713	1.8
123.08215	1.7
125.09702	4.1
126.06847	2.2
127.11293	57.3
128.11646	2.0
141.01936	1.1
141.09222	4.8
151.11313	7.5
167.10660	1.1
169.06616	1.3
169.12341	89.8
169.16020	2.9
170.12689	2.0
176.98172	1.7
177.90431	1.9
183.13876	2.8
194.99365	2.3
195.13902	4.1
197.99117	2.4
207.26619	1.1
213.05571	1.6
213.07587	1.3
213.11313	17.3
213.14989	17.4
213.18608	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	211.134
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98834	4.0
62.72534	0.5
64.66593	0.4
69.03442	1.1
70.78110	0.9
70.78468	0.6
71.01399	0.5
95.01395	0.5
98.20277	0.9
98.26408	0.4
111.00878	0.5
117.24290	0.4
157.63254	0.5
165.12856	0.7
167.05989	0.5
167.10759	0.7
167.14384	1.2
181.12369	0.5
183.13887	16.2
193.12300	2.6
210.16322	0.5
210.94844	1.1
211.13383	100.0
212.13687	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	211.0612
Annotation	Danielone
Peak:m/z	Relative Intensity
53.91483	1.0
57.03426	1.0
59.01366	2.2
60.87037	0.9
61.98816	3.5
68.97022	0.9
68.99809	1.5
69.03455	1.3
71.01360	3.4
71.54012	1.8
72.99306	1.2
77.03906	1.0
81.03445	1.7
82.02972	1.1
83.01377	2.8
85.02930	2.2
87.00864	1.0
93.03442	2.5
95.01406	6.0
97.02925	2.5
99.00867	1.9
103.92432	0.9
104.18377	0.8
107.05001	2.9
108.01575	0.9
108.02182	10.4
108.04516	1.4
109.02953	19.0
111.00848	3.4
115.00389	1.7
117.02069	1.3
120.02161	13.9
121.02924	4.3
123.00877	2.9
123.04526	8.4
124.04029	1.3
125.02409	3.3
134.03699	3.8
135.04477	2.4
136.01628	3.8
137.02393	2.9
138.03210	2.7
139.03973	1.3
148.01666	100.0
149.02066	3.9
149.06078	1.5
150.03270	1.6
151.03958	1.4
152.01166	4.5
153.01888	1.9
153.05577	88.3
154.05968	4.4
163.04010	99.5
164.04320	4.5
165.01938	5.5
166.02737	8.0
167.03400	1.8
167.05414	1.8
167.08270	1.1
179.03496	2.2
181.01488	3.3
181.05067	97.8
182.05360	3.5
193.01305	1.2
196.03749	10.8
211.02698	5.3
211.06071	32.7
211.13480	1.4
212.02461	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	211.0975
Annotation	1-(3,4-Dimethoxyphenyl)-1,3-propanediol
Peak:m/z	Relative Intensity
54.06420	0.6
59.01390	0.6
65.54089	0.5
69.03465	0.9
69.36398	3.9
71.01363	1.0
81.03464	0.8
83.01391	0.7
83.04997	1.1
85.19926	0.5
93.03456	0.7
95.01407	1.0
97.02980	1.7
97.06599	1.1
107.05021	1.4
109.02964	1.1
109.06599	0.8
111.00932	1.0
111.04519	1.9
112.87807	0.5
121.02950	1.5
123.00899	1.3
123.08136	0.6
124.01620	1.5
125.02445	15.8
125.06087	1.5
128.66304	0.6
135.04518	26.4
136.04851	0.7
139.00421	0.6
139.02138	0.7
139.03957	0.7
142.30336	0.5
149.06038	0.7
151.00359	0.8
152.01154	4.7
153.05544	2.1
154.55792	0.6
163.04002	100.0
163.22948	0.7
164.04329	4.2
167.06131	2.5
167.10690	0.9
178.06346	86.3
179.06642	4.3
181.05058	46.7
182.05348	1.6
193.08690	36.6
194.09029	1.4
196.07388	49.4
197.07741	1.5
202.39615	0.6
210.06773	0.6
211.02374	0.6
211.07735	2.0
211.09740	25.1
211.13371	1.8
212.09990	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0248
Annotation	5-Carboxyvanillic acid
Peak:m/z	Relative Intensity
55.01898	1.2
57.03450	0.6
59.01385	2.1
63.02399	3.1
65.00323	20.2
67.01913	1.9
68.99819	4.3
69.03481	2.0
70.66833	0.6
71.01382	14.1
81.03470	1.4
83.01383	12.7
83.05045	2.0
85.02940	3.6
87.00939	0.9
93.03474	1.6
95.01363	2.8
97.02978	1.8
98.20756	1.1
99.00880	1.9
99.04541	1.5
107.01389	27.1
108.01725	0.8
109.02960	3.0
111.00870	7.9
113.02479	1.4
120.99389	0.7
121.02960	0.7
123.00884	1.9
124.03992	0.6
125.02472	3.6
127.00391	2.0
128.01173	0.8
129.01875	0.7
134.13887	0.6
137.02473	3.6
139.00383	5.1
139.04039	0.9
141.01967	2.3
151.00363	100.0
152.00705	2.9
164.98332	3.0
165.01949	2.0
167.10750	0.8
169.01393	1.7
178.99840	5.3
181.01442	0.9
183.02916	3.1
203.49652	0.6
211.02443	22.6
211.04352	1.5
211.07684	3.9
211.09680	1.2
211.13399	2.2
212.02730	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	210.0408
Annotation	5-(2'-Formylethyl)-4,6-dihydroxypicolinate
Peak:m/z	Relative Intensity
57.03444	0.5
59.01363	0.7
61.98832	3.6
64.01911	0.5
66.03461	0.7
67.01884	0.4
68.44778	0.4
71.01370	1.1
71.53742	0.7
72.01711	0.5
72.99297	1.7
75.03521	0.3
77.03944	0.5
85.02963	1.7
86.03279	2.8
87.00871	0.5
92.05037	1.0
93.03497	1.8
94.02980	3.2
95.01379	0.8
97.02987	0.6
103.04290	1.8
104.05064	41.3
105.05385	1.1
108.02163	1.1
108.04549	0.3
109.01686	0.4
109.02972	0.8
110.02443	0.7
115.00412	0.5
120.04559	6.7
120.05379	0.8
121.02935	0.5
122.02486	0.5
122.03324	0.6
122.06150	1.8
123.04507	1.1
124.04044	7.0
125.02405	0.4
134.03738	1.0
136.01616	0.4
136.07628	0.4
137.02454	0.8
138.05499	0.4
138.51208	0.4
139.37335	0.4
148.01677	3.1
148.04031	60.6
149.04417	1.9
149.06120	0.8
151.03947	0.5
152.01115	0.8
153.05592	3.6
163.04021	3.6
165.05644	0.5
166.05081	100.0
167.05417	4.2
181.01367	0.4
181.05064	3.5
184.31166	0.3
192.02292	1.1
195.06174	0.6
196.03792	0.8
209.94855	1.2
210.04053	11.5
210.07751	1.4
211.02367	0.5
211.04230	1.0
211.06122	1.1
211.13432	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.949
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45762	0.3
57.16688	0.3
61.98830	100.0
62.98548	0.5
63.99271	0.4
69.92329	0.4
70.57990	1.1
93.12736	0.4
94.02935	0.5
103.57451	0.3
106.89635	0.4
116.89299	0.4
124.04033	1.1
130.38872	0.4
157.33408	0.4
177.53203	0.4
209.94896	25.5
210.94925	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.949
Annotation	Unknow
Peak:m/z	Relative Intensity
56.19097	0.2
59.01384	2.9
60.15893	0.2
61.98831	100.0
66.03479	0.3
71.24731	0.4
87.46062	0.2
94.02971	1.5
101.51160	0.2
103.92027	0.3
121.02951	0.3
122.03317	0.3
123.00766	0.3
124.04041	3.6
124.89433	0.5
129.69106	0.3
150.93045	0.4
151.03841	0.2
151.91788	0.4
152.91675	0.3
153.92242	0.4
156.93990	0.4
161.52147	0.3
163.95624	0.3
165.94084	0.5
166.91095	0.7
166.93907	0.3
181.92813	0.3
195.02910	0.3
209.94896	26.8
210.82272	0.3
210.94998	1.6
211.13370	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0818
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	1.1
67.01913	0.5
67.52397	0.5
69.76273	2.9
71.01396	0.8
72.99308	1.8
77.03950	1.2
81.03473	0.7
85.02955	2.7
87.00866	1.6
91.01877	0.9
93.03459	3.6
95.05026	2.4
105.03453	10.1
117.03475	0.6
119.05003	0.9
120.02154	1.5
121.02958	43.3
122.03258	1.3
123.04534	0.9
124.03984	0.7
129.01913	1.0
133.02943	5.3
135.04562	1.0
136.01648	0.8
137.02412	0.8
138.62993	0.5
147.04521	2.1
150.03188	1.2
151.04005	29.5
152.04355	1.1
153.09198	1.2
161.02440	68.1
162.02762	2.3
165.01892	0.5
165.05579	0.9
176.04781	31.8
177.05165	1.7
179.03494	100.0
180.03879	4.0
191.03558	2.8
191.07137	10.5
194.05833	85.2
195.06177	4.0
209.04694	6.5
209.08189	23.5
210.08572	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.082
Annotation	Sinapyl alcohol
Peak:m/z	Relative Intensity
50.73043	1.7
52.81606	1.7
56.98034	9.5
57.03439	6.2
59.01380	9.0
65.00340	1.7
71.01385	11.9
72.99312	3.9
73.02946	4.6
83.01387	4.2
85.02955	13.1
86.60491	1.5
86.67155	1.6
87.00880	26.4
89.02454	5.5
91.01875	1.8
91.05536	98.5
92.05865	3.0
93.03468	4.7
94.03001	2.1
95.05029	1.9
97.02950	1.7
99.00877	4.1
103.46661	1.7
110.00134	1.6
111.00936	1.7
117.01981	5.9
117.03474	6.7
119.05042	6.2
121.02963	66.1
124.04060	7.9
125.99606	5.2
129.01961	14.7
132.02165	2.4
133.02924	1.7
135.04521	15.3
137.02467	3.3
147.04497	17.4
148.01694	7.8
150.48741	1.5
151.03998	8.1
153.99095	6.9
154.99928	2.0
160.01704	4.0
161.02446	34.7
162.02843	2.1
163.04021	24.8
163.07661	5.7
164.60951	1.7
165.01950	2.0
165.04115	2.2
165.05568	21.2
176.04788	6.0
178.99919	3.0
179.03493	19.5
181.01460	2.6
191.01877	1.7
191.07126	8.6
194.00471	17.3
194.02142	3.2
194.05865	13.2
209.00916	5.3
209.02837	11.8
209.04587	9.6
209.06590	11.7
209.08224	100.0
209.11607	3.4
210.08609	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	209.0666
Annotation	alpha-D-Mannoheptulopyranose
Peak:m/z	Relative Intensity
52.51904	1.1
55.01883	5.0
57.03191	1.8
57.03450	23.3
58.00592	3.3
59.01379	38.9
68.99812	2.8
69.58731	8.0
70.12458	1.0
71.01383	23.4
72.99339	2.7
73.02958	3.8
83.01389	11.8
84.02174	4.5
85.02956	39.5
86.00111	2.1
87.00875	100.0
87.04489	1.3
88.01220	1.1
89.02448	15.0
97.02909	1.4
99.00888	15.5
101.02454	6.1
110.93481	1.6
111.00877	1.9
111.04484	1.1
113.02431	1.5
115.04025	7.2
117.01911	1.4
119.03496	2.0
129.01949	56.5
130.02296	2.3
159.03011	9.0
166.92392	2.4
191.05627	1.1
195.56720	1.1
209.06657	68.0
210.06937	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	209.0666
Annotation	alpha-D-Mannoheptulopyranose
Peak:m/z	Relative Intensity
54.98949	1.1
55.01876	4.6
57.03448	30.5
58.00583	2.4
59.01378	44.8
61.17792	1.1
64.19212	1.2
68.99815	3.5
69.03430	1.3
70.88512	1.6
70.88853	2.5
71.01381	40.8
71.01776	2.1
72.99310	6.8
73.02940	3.7
75.00870	3.1
79.13707	1.4
83.01387	11.6
84.02161	3.6
85.02950	100.0
86.03307	1.6
87.00876	96.8
89.02442	23.5
99.00879	16.7
101.02435	2.9
111.00845	3.7
112.98800	7.2
115.04037	8.4
124.98808	2.6
129.01944	52.7
133.01439	6.2
135.96667	1.3
142.99854	26.9
147.03038	2.0
159.03018	9.6
169.53587	1.4
173.00882	4.9
191.01976	19.0
209.01228	2.0
209.03098	16.5
209.06653	58.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.9745
Annotation	Unknow
Peak:m/z	Relative Intensity
55.49843	0.1
59.01370	0.2
61.87991	0.1
61.98829	100.0
62.98528	0.2
67.49723	0.1
69.78580	0.4
77.01595	0.1
90.28615	0.1
92.75772	0.1
93.18423	0.1
98.19954	0.1
142.89056	0.1
146.97110	0.1
162.98466	1.3
164.96329	0.2
177.01901	0.5
192.04227	0.4
206.97437	6.4
207.06627	0.2
207.97563	0.4
220.49127	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	207.0512
Annotation	Methylglucopyranosiduronic acid
Peak:m/z	Relative Intensity
58.00575	4.3
59.01381	48.0
66.53412	1.6
69.87165	5.8
69.87572	2.4
71.01387	8.8
71.33518	1.5
72.99313	2.6
73.02943	5.4
78.95902	2.3
83.01382	2.2
85.02942	1.9
89.02467	10.0
99.00867	7.4
117.01939	100.0
117.05556	3.0
118.02267	1.7
130.88948	3.8
147.03024	1.7
152.32591	1.6
154.43245	1.5
162.94678	2.5
164.89435	1.3
170.88358	5.0
188.85873	2.1
189.04071	2.6
207.05078	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	209.0455
Annotation	Clavatoic acid
Peak:m/z	Relative Intensity
50.33529	0.6
52.33300	0.5
55.01886	0.9
57.03452	4.7
59.01384	5.5
69.88284	3.4
71.01382	7.8
72.99306	37.2
73.02953	0.6
75.00874	1.7
80.08647	0.6
83.01375	1.3
84.02180	0.8
85.02950	32.6
86.03279	0.8
87.00868	3.3
89.02438	3.0
90.21386	0.7
91.05528	0.9
93.03474	1.5
98.19834	0.7
103.00378	0.7
103.05529	3.4
105.03412	0.6
109.02930	0.9
111.00893	1.9
115.00383	1.3
119.05023	8.9
121.02956	3.6
121.06606	1.5
123.04573	1.0
124.04046	1.3
129.01930	3.7
133.01434	2.6
133.02940	0.6
135.04497	1.4
137.02451	1.0
147.04520	100.0
148.04898	4.7
149.02393	0.7
151.03937	1.8
161.02422	1.8
165.05556	14.7
166.04991	0.8
173.00909	0.9
176.04820	0.5
179.03545	4.1
191.01984	7.0
191.03520	1.5
191.07089	1.2
194.05911	3.4
209.02966	6.3
209.04631	6.1
209.06432	1.3
209.08139	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	205.1597
Annotation	(E,E)-4,4,8-Trimethyl-2,8-cycloundecadien-1-one
Peak:m/z	Relative Intensity
58.49002	0.2
61.97370	0.2
61.98810	0.3
65.41795	0.2
69.47750	0.4
69.48152	1.6
94.31458	0.3
96.70253	0.3
98.20591	0.5
112.48198	0.2
129.99074	0.3
189.12825	2.0
205.15965	100.0
206.16306	5.8
225.81311	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.0821
Annotation	N-Acetyl-L-phenylalanine
Peak:m/z	Relative Intensity
58.02974	41.7
59.71178	0.7
62.92362	0.7
63.91008	0.7
70.02982	13.0
72.00903	6.1
89.05114	0.6
90.15923	0.9
91.05536	15.8
91.06055	1.3
92.05899	1.2
98.19854	1.9
103.05539	2.3
108.23759	0.8
111.51517	0.7
135.04507	1.2
147.04523	42.5
148.04871	1.8
164.07164	100.0
165.07477	3.8
206.08215	34.2
207.08614	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	206.0822
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77055	0.8
55.68026	0.7
58.02977	43.7
70.02982	13.0
70.22675	3.1
72.00907	6.6
79.12873	0.8
91.05535	13.2
100.47697	0.8
103.05542	1.6
119.05084	1.1
147.04526	40.0
148.04875	2.1
162.09268	1.5
164.07164	100.0
165.07487	4.0
192.43185	0.8
206.08217	34.2
207.08606	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	205.0871
Annotation	Bruguierol C
Peak:m/z	Relative Intensity
59.01366	1.3
68.17282	0.4
71.01387	0.8
72.99317	0.7
87.00865	0.6
87.04520	7.0
93.03461	1.5
95.05028	0.6
98.20657	0.9
99.04531	0.8
105.03458	0.7
107.05036	2.1
115.00388	0.9
117.03464	5.3
121.02982	0.8
123.04536	5.1
132.02170	2.0
133.02963	27.1
133.06567	0.4
134.03766	15.1
135.04559	2.5
149.06221	0.4
161.02432	2.1
161.06071	1.5
162.03227	1.1
164.07135	0.8
172.05315	0.6
175.07643	0.8
176.08435	1.3
177.09210	8.2
187.07639	1.0
187.11276	0.5
194.02287	1.1
205.08698	100.0
205.12337	3.1
205.15973	2.3
206.09076	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	205.0353
Annotation	(2S,3R)-3-Hydroxybutane-1,2,3-tricarboxylate
Peak:m/z	Relative Intensity
53.69196	1.0
55.01870	4.9
55.69381	1.1
57.03449	6.3
57.03678	1.1
58.00588	2.2
58.02942	1.9
58.99252	1.1
59.01379	64.3
60.99299	2.5
62.38451	1.4
63.96140	1.1
67.01873	4.0
68.99804	4.8
69.03450	2.2
69.55965	8.4
71.01382	47.1
71.05022	1.5
72.99308	31.3
73.02946	16.6
75.00874	17.7
77.20857	1.1
80.88123	1.3
81.03449	7.8
83.01380	13.8
83.05029	6.6
84.99327	2.4
85.02960	10.2
85.24634	1.1
87.00877	20.7
88.98788	1.7
89.02439	13.3
96.99289	2.8
97.06592	3.5
98.19878	1.8
99.00880	45.8
99.04513	7.5
100.98780	2.9
101.02450	12.5
111.00881	47.0
112.98811	100.0
113.99145	2.4
115.00380	29.0
115.04011	4.3
117.01929	11.7
124.98769	3.5
125.02448	31.8
125.06026	1.3
127.00388	5.9
127.03985	1.7
129.01944	9.2
133.01472	1.9
142.99863	7.6
143.03477	3.3
143.07121	11.5
145.01431	20.5
145.05061	10.6
154.99852	7.1
161.04489	2.2
161.54398	1.3
169.01457	1.2
173.00887	6.6
175.02444	2.3
187.02437	3.4
187.06076	4.2
205.03516	13.3
205.07224	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	203.1078
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27170	0.8
53.80182	0.8
59.01377	13.2
60.01744	0.8
61.98834	9.7
69.03435	1.3
70.65531	1.8
71.01388	1.1
72.64880	0.8
72.99323	2.0
73.02949	0.9
80.91693	7.2
83.05019	1.9
85.02946	1.0
91.05542	10.2
94.99319	1.3
97.02943	2.2
101.06079	3.4
103.92032	8.6
104.97743	14.3
113.02466	1.5
117.03461	9.7
117.92886	2.5
118.35797	0.9
119.05005	5.2
130.94377	1.0
131.04959	1.3
135.04535	2.4
146.03752	1.1
146.93944	1.8
147.04515	0.9
148.95416	2.8
157.96809	0.8
159.04538	3.8
160.04039	1.0
160.89255	1.8
161.89438	1.0
174.99219	1.4
175.03998	1.7
175.11327	1.6
175.24037	0.9
188.08405	0.9
202.94202	12.3
203.03511	2.3
203.10776	100.0
203.95952	1.7
204.11108	4.7
211.74278	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.9997
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	4.5
60.01714	2.0
61.01809	0.5
61.98830	100.0
62.98536	0.2
80.91676	0.3
144.20522	0.1
146.93900	0.2
148.33742	0.1
148.89836	0.1
160.03659	0.3
162.01729	0.1
182.54723	0.1
204.00046	0.4
204.02759	0.6
205.15999	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	204.0877
Annotation	N-Acetyl-D-fucosamine
Peak:m/z	Relative Intensity
55.01872	1.5
57.03435	3.2
57.26212	0.6
58.02978	30.2
59.01380	7.3
61.98828	1.7
68.99807	0.9
69.03453	4.9
69.75427	0.6
70.02962	0.9
70.03780	2.3
70.25494	1.8
71.01385	12.3
71.05016	1.3
72.01704	1.1
72.04543	2.9
72.99310	8.1
73.02944	1.9
74.02465	2.7
75.00871	2.4
77.82410	0.6
79.01870	0.6
80.02232	0.6
80.91662	0.7
81.03444	2.0
82.02984	1.4
82.06612	0.7
83.01396	2.2
83.05024	1.4
84.04555	6.1
85.02953	18.6
86.03279	0.9
86.06115	2.1
87.00894	4.6
87.04530	0.7
88.04073	1.5
89.02419	0.7
96.04580	1.1
97.02975	3.5
97.06622	0.8
98.02477	1.8
98.03300	3.3
98.06116	7.2
98.20602	0.7
99.00869	4.3
99.04515	1.5
99.12585	0.5
100.04052	19.3
100.07706	1.0
100.97867	0.7
101.02427	2.5
108.04565	3.9
110.06127	1.2
111.00875	3.3
112.04023	1.0
112.07680	1.0
112.98817	4.0
113.02502	1.3
114.02769	1.3
114.05596	5.8
114.09215	3.4
114.32014	0.5
115.00359	5.2
115.04003	1.2
116.01728	0.8
116.07182	17.3
116.07954	0.7
117.01945	1.0
124.07690	5.3
124.98799	0.7
125.02431	6.2
127.00423	0.9
128.07178	2.4
129.01938	2.6
132.95456	1.4
138.05621	5.0
140.07182	22.6
142.02275	1.2
142.05962	1.3
142.08719	1.8
142.99883	1.6
143.03471	0.9
143.07062	0.9
144.06610	1.5
145.01424	2.4
145.05083	1.7
154.99820	0.9
158.08223	44.8
159.08627	1.4
160.04048	1.2
160.09793	1.1
162.07671	3.9
168.06686	3.9
169.01382	0.8
173.00964	0.6
186.04150	1.0
186.05104	0.8
186.07712	22.5
187.02475	1.1
202.07205	2.0
204.02312	4.2
204.08763	100.0
205.03513	1.9
205.07318	1.1
205.08981	3.5
205.15858	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.0561
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01105	1.2
59.01381	19.9
69.03465	6.4
70.47933	2.9
71.01379	20.1
78.82561	0.9
80.91681	1.3
81.03425	2.0
81.31834	0.8
85.02929	2.6
95.05025	16.2
97.02941	3.2
97.06586	27.3
99.04513	1.0
103.92010	2.5
112.98754	1.4
113.02452	54.8
114.02780	1.0
115.00333	0.9
115.07652	39.6
125.02451	42.9
131.04941	0.8
141.05577	100.0
142.05893	3.0
143.07137	5.2
147.04530	1.2
151.35583	0.9
159.06618	6.8
161.08221	7.0
164.82977	1.0
167.03517	1.3
185.04553	88.4
186.04849	3.5
203.01888	1.7
203.03752	1.7
203.05595	32.9
203.09196	2.0
203.10925	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.0826
Annotation	Tryptophan
Peak:m/z	Relative Intensity
51.38089	0.5
51.98012	0.4
54.37207	0.4
59.01379	0.5
60.29359	0.4
69.46928	2.0
69.47353	1.1
72.00910	23.5
74.02473	32.8
83.57791	0.4
108.24779	0.4
116.05064	100.0
117.05408	3.0
129.05844	0.9
130.06615	3.3
132.08170	0.7
142.06619	25.7
143.06938	1.1
144.04475	0.4
157.07701	1.2
159.09276	14.2
161.04791	1.0
185.07179	0.6
186.05583	3.8
203.08258	49.8
204.08577	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	203.0826
Annotation	Tryptophan
Peak:m/z	Relative Intensity
59.01385	9.6
60.96917	0.6
61.98817	0.7
69.03452	1.9
69.39261	1.4
69.39662	4.3
71.01379	2.7
71.05006	0.7
72.00911	23.7
72.99312	1.1
74.02476	31.5
80.91685	1.2
97.02944	2.2
97.06592	2.8
98.20682	1.3
103.92037	2.3
104.97696	0.8
110.55040	0.6
113.02438	1.5
115.07660	2.8
116.05066	100.0
117.05397	3.5
117.85612	0.6
119.05008	0.7
129.05901	1.0
129.20847	0.6
129.50795	0.6
129.62802	0.6
130.06639	3.0
130.94357	0.7
131.05052	0.7
131.06102	0.6
133.93416	0.7
140.98317	0.7
141.01942	0.7
141.05573	2.0
142.06621	29.0
143.07112	3.9
146.93913	1.0
151.53665	0.6
157.07726	1.5
159.04529	0.8
159.06578	0.9
159.09276	18.0
160.04042	2.0
161.04851	0.9
161.08203	8.2
175.04007	0.9
185.04558	5.8
186.05557	4.0
203.01917	1.8
203.03693	1.3
203.08253	57.7
204.08588	3.3
221.05701	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.0925
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77920	0.7
59.01381	100.0
69.70625	3.5
99.08169	6.9
100.31101	0.6
143.07118	3.7
161.08203	0.8
171.93294	0.6
185.87585	0.6
203.07179	1.5
223.19762	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1078
Annotation	3-PRENYL-4-HYDROXYACETOPHENONE
Peak:m/z	Relative Intensity
59.01376	1.8
61.98836	1.8
71.38589	0.5
80.91663	1.0
83.05047	0.4
85.02930	0.4
85.06585	0.4
91.05528	7.2
101.03983	1.1
101.06078	5.5
103.92043	1.4
104.97729	2.0
111.04499	0.3
117.03467	21.7
118.03777	0.5
119.05029	2.8
130.94354	0.6
135.04500	0.7
137.63223	0.3
146.03755	0.7
146.93832	0.5
147.00877	0.3
148.95404	0.5
175.04074	0.4
175.11296	3.8
185.09676	0.4
202.94191	1.6
203.10774	100.0
204.11102	5.0
213.70280	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.0247
Annotation	5-formyl-2-hydroxyhepta-2,4-dienedioic acid
Peak:m/z	Relative Intensity
55.01876	8.1
57.03443	9.0
59.01387	2.5
62.45196	1.6
64.12234	1.5
65.00319	4.3
67.01888	12.6
68.99821	22.0
69.03455	41.3
71.01379	18.4
71.53292	2.2
72.99310	4.2
73.02950	15.5
74.92872	1.4
79.01895	13.4
81.03468	6.3
83.01394	40.0
85.02952	58.1
86.03242	2.2
87.00883	6.2
91.46342	1.5
93.03469	3.2
95.01394	25.3
96.99325	8.2
97.02949	38.5
99.00884	15.2
99.04493	2.3
101.02436	18.0
107.01398	7.4
109.02947	5.4
110.02480	1.8
111.00887	18.6
113.02451	56.7
123.00891	44.3
125.02441	15.3
125.99602	3.6
127.00381	9.8
135.00899	5.5
137.02472	4.8
139.00357	15.9
140.01140	2.5
141.01947	100.0
142.02266	1.9
151.00401	9.0
153.01920	7.9
154.46552	1.6
155.05441	2.4
169.01416	61.3
170.01878	2.2
172.39389	1.6
181.01379	9.4
199.02477	19.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.0255
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
59.08313	0.3
60.01715	0.6
66.27278	0.3
66.85205	0.3
70.99189	0.4
80.46424	0.2
85.38886	0.3
110.58698	0.3
113.04584	0.4
138.89072	0.3
151.74907	0.2
157.03574	5.9
158.03758	0.3
159.01515	1.6
201.02571	11.2
202.02763	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1131
Annotation	Sebacic acid
Peak:m/z	Relative Intensity
56.25446	0.4
57.03445	14.1
59.01374	1.5
59.05014	0.6
61.19943	0.6
69.03452	3.6
69.37682	3.6
71.01413	0.6
71.05016	7.4
73.02943	1.1
73.06613	0.6
83.05026	2.0
85.02960	2.6
85.06604	0.8
85.38086	0.4
87.04514	32.9
91.75340	0.6
92.39979	0.5
95.05026	0.8
97.06580	13.0
101.05453	0.8
101.06078	10.5
107.08644	2.4
109.06522	0.5
111.08172	1.3
121.10227	1.0
123.08208	0.6
125.09724	8.9
130.06593	0.5
137.09715	1.3
139.07643	0.9
139.11241	0.8
155.10779	4.8
157.07629	1.1
157.08740	1.4
157.12305	3.4
158.06068	2.0
183.06589	0.6
199.09718	0.6
201.11308	100.0
202.05214	0.7
202.11656	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	201.1496
Annotation	11-Hydroxyundecanoic acid
Peak:m/z	Relative Intensity
59.01379	6.5
61.32793	0.3
61.98841	0.8
69.03438	0.8
70.56326	1.0
77.41280	0.3
78.91885	2.9
85.02951	0.5
87.04522	0.4
95.01365	0.4
111.00869	0.4
113.02467	0.4
117.03551	0.3
125.09713	0.3
126.74680	0.3
127.11340	0.5
135.64691	0.3
139.11324	0.6
141.74612	0.3
144.94041	1.1
154.28860	0.4
155.14415	5.1
157.10562	0.3
158.03807	0.3
159.89270	0.6
173.02408	0.7
173.06062	0.4
183.10202	0.7
183.13872	2.3
199.13351	0.8
201.02014	0.6
201.05586	1.4
201.11230	2.7
201.14958	100.0
201.96208	1.0
202.05562	0.3
202.15311	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	197.1182
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
57.03437	0.8
59.01373	2.1
61.55656	0.6
61.98825	3.7
64.24127	0.6
65.00327	1.4
68.99818	1.0
69.03457	2.5
71.55843	1.3
77.18191	0.9
83.01368	1.7
83.05025	1.9
85.02982	0.9
91.36235	0.7
95.01376	2.6
97.02982	0.9
104.14944	0.8
109.02962	3.5
111.00902	1.2
111.04511	0.9
112.01635	1.5
116.92861	1.8
121.02950	2.3
123.00893	7.4
123.04530	1.5
125.02441	2.2
126.90556	3.9
130.99185	1.2
137.02446	1.3
138.03226	1.7
139.06453	0.7
149.38383	0.7
150.03577	0.7
153.01949	2.6
153.05533	2.4
153.09219	3.1
153.12822	5.3
153.78870	0.6
160.84128	1.1
162.83939	4.1
166.99855	3.5
169.11049	1.2
169.12354	16.9
178.99841	1.5
179.03462	1.6
179.10767	2.1
182.02211	9.4
182.05829	1.3
196.89461	1.2
197.00830	1.1
197.02267	0.8
197.04549	3.5
197.08153	2.9
197.11827	100.0
197.80753	0.9
198.12195	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	197.1183
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
55.01871	0.4
61.98837	1.8
65.48582	0.3
69.03445	0.8
71.05029	1.1
71.11492	0.3
71.46022	0.5
81.07059	0.5
95.01341	0.4
95.05030	0.5
97.06587	15.4
99.08160	4.7
101.45721	0.3
109.06599	0.5
116.92876	0.5
122.03747	2.3
123.00898	1.3
125.09728	1.0
126.03210	0.6
126.90463	0.4
137.09712	2.0
151.11263	1.2
153.12849	100.0
154.13181	4.1
160.84209	1.4
162.83885	3.7
166.99872	0.8
168.19180	0.3
179.10770	21.3
180.11130	0.7
182.02184	1.7
197.04503	0.7
197.11823	6.0
197.80797	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	195.1389
Annotation	Crocusatin G
Peak:m/z	Relative Intensity
55.01860	1.4
56.65551	0.7
57.03448	68.3
58.03773	0.7
59.01366	1.5
69.03471	1.0
69.35910	6.8
71.01372	1.7
72.99306	0.9
75.00870	6.5
83.05024	31.1
85.02950	0.8
85.06605	2.1
87.00863	2.6
95.05006	1.6
97.06580	1.5
105.01933	1.3
109.06588	3.4
111.00841	1.0
111.08149	1.5
121.02948	2.1
121.06634	1.1
122.03727	1.3
123.04524	2.1
123.08167	17.0
129.01965	1.5
133.06592	1.0
134.07359	1.8
135.04486	1.7
135.08215	3.7
136.01637	2.6
136.05234	1.0
137.02434	2.3
137.09726	12.6
139.11284	10.3
149.09717	21.2
150.03230	4.3
151.04057	1.4
151.07736	1.7
151.11279	6.0
161.09746	2.5
165.01926	4.6
165.05560	3.3
165.12840	7.5
167.14339	3.8
177.12852	9.5
179.10742	4.6
180.00526	0.7
180.04225	3.8
185.38840	1.0
187.16318	0.7
193.12245	1.4
195.03149	1.6
195.05060	5.0
195.06670	2.6
195.13895	100.0
196.14253	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	197.0203
Annotation	2,4-Dinitroanisole
Peak:m/z	Relative Intensity
50.00335	1.9
59.01375	2.7
61.98824	6.5
62.72821	1.0
65.00332	1.4
65.99845	5.1
67.01889	2.4
70.27424	1.1
71.55894	1.6
74.99832	1.1
76.01949	2.5
77.00330	1.4
78.03490	3.8
81.03458	1.1
91.02997	1.2
92.99841	1.7
93.03509	1.3
93.19527	1.2
94.02993	1.8
95.01395	4.5
99.00915	3.1
104.01427	4.0
104.99839	1.4
105.02225	1.7
108.02161	3.2
109.02940	7.5
111.00842	1.9
111.04514	2.2
112.01714	1.4
116.92863	3.6
120.00927	2.8
121.02946	3.3
122.02475	1.5
123.00880	11.4
123.04517	2.2
125.02419	2.4
126.90488	7.0
133.01712	3.8
136.00357	1.4
137.02454	5.0
138.02023	2.4
138.03152	1.8
150.01987	7.8
153.01994	2.6
153.05579	2.4
153.09264	2.7
153.12822	2.9
160.84215	3.2
162.83890	8.4
163.01500	1.4
166.99867	7.7
167.02219	2.4
178.99736	2.9
179.01117	2.5
179.03496	1.4
180.01677	5.8
182.02214	15.4
182.05885	1.7
184.77672	1.2
196.89467	2.2
197.02054	100.0
197.04477	4.2
197.08174	2.8
197.10115	1.7
197.11801	11.3
197.80817	4.0
198.02344	3.4
198.07719	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.139
Annotation	Crocusatin G
Peak:m/z	Relative Intensity
51.09905	0.2
53.19716	0.2
55.01878	0.3
58.98222	0.2
61.98835	1.6
71.19487	0.4
75.71198	0.2
83.79314	0.2
87.87771	0.2
103.91993	0.3
105.62331	0.2
109.06583	4.2
111.08151	4.0
112.08431	0.2
115.26820	0.2
118.08848	0.2
122.03720	0.7
123.04606	0.3
125.09705	1.0
135.11815	0.6
138.06863	0.9
139.07675	0.4
151.11264	0.5
152.91716	0.5
153.92271	0.2
160.84210	5.7
167.14421	7.5
179.10767	5.8
180.04272	0.7
180.11588	0.6
195.13902	100.0
195.81038	1.9
196.14267	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	195.0662
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23175	1.0
54.08136	1.0
57.03450	24.2
58.00595	15.5
59.01379	17.4
61.98816	3.6
66.03481	1.8
67.81182	1.1
69.03443	1.2
70.79838	2.9
71.01383	9.8
72.99303	4.7
75.00873	51.1
78.26740	1.0
78.95909	1.6
81.47022	1.0
83.01379	2.3
83.05024	10.0
85.02953	5.4
87.00874	12.0
89.01814	0.9
89.02441	4.8
93.03448	5.6
95.01376	2.0
95.05002	1.4
97.02953	1.3
99.00879	4.3
101.02411	2.1
105.01929	8.3
105.88341	1.1
107.05038	21.9
108.02169	5.5
108.04536	3.3
109.02952	4.7
109.06628	2.5
110.02470	1.9
111.00886	3.8
121.02954	44.7
121.06596	1.5
122.03763	20.4
123.00904	3.0
123.04510	4.5
123.05637	1.6
123.08180	6.2
124.01630	3.1
129.01944	15.7
134.03693	1.2
135.04529	2.0
135.08182	1.2
136.01636	3.3
136.05312	2.2
137.02443	16.5
137.06065	1.9
137.09727	5.0
138.05614	1.8
139.03969	1.1
139.11287	4.0
141.01912	1.3
147.03003	3.0
149.02440	2.6
149.09706	7.7
150.03223	22.3
151.00327	1.1
151.04034	18.0
151.07658	2.1
151.11314	1.7
152.03546	1.2
152.91786	3.0
154.02731	3.6
159.02954	6.8
161.09750	2.0
162.03181	3.0
163.03981	3.1
165.01930	37.2
165.05576	15.8
165.12936	2.6
167.03508	1.2
167.14323	1.2
177.01877	1.7
177.04045	3.8
177.12819	2.3
179.10828	1.9
180.04291	100.0
181.04633	2.7
181.48677	1.2
194.92821	1.6
195.03030	6.3
195.05072	33.2
195.06653	30.1
195.13905	37.7
196.05972	1.2
196.14272	1.4
211.31320	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0299
Annotation	1,6,8-trihydroxy-1H,3H-cyclohepta[c]furan-5-one
Peak:m/z	Relative Intensity
55.47066	0.4
57.03441	0.6
59.01375	2.0
67.01877	1.3
68.99814	0.9
71.01379	2.3
72.99311	1.6
75.00875	9.3
82.24972	0.4
83.01390	3.4
83.11449	0.4
85.02950	0.5
87.00872	2.0
89.02426	0.9
93.03452	0.5
95.01398	4.2
95.05049	0.5
99.00882	1.1
105.01932	1.7
107.01406	4.2
107.05038	10.0
108.02178	5.4
109.02968	1.0
111.00884	14.5
111.04464	0.5
119.05031	1.0
121.02952	1.0
122.03732	1.4
123.00890	26.3
123.04488	1.1
124.01672	28.9
129.01961	3.5
134.03728	1.3
135.00877	2.6
136.01668	1.1
137.02452	3.3
139.00336	4.3
147.03040	0.6
149.02420	1.4
150.03236	8.1
151.03995	6.0
151.11316	1.2
152.01161	4.2
159.02983	1.1
165.01938	4.1
165.05577	5.9
167.03467	6.4
177.04138	0.9
177.05580	2.2
180.04230	3.3
184.67542	0.5
195.02994	100.0
195.04958	6.0
195.06706	2.4
195.10271	1.8
196.03333	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	192.0666
Annotation	BETAMIPRON
Peak:m/z	Relative Intensity
57.03459	0.3
58.62481	0.3
59.01374	1.2
69.03461	0.4
69.22558	2.2
70.65104	0.3
71.01391	2.4
73.02935	0.7
83.01380	0.3
85.02978	1.2
87.00874	0.9
95.01367	0.3
97.02951	0.5
98.19751	0.2
99.00881	0.7
101.02450	1.0
104.05061	0.3
112.01251	0.8
113.02408	0.3
120.04554	100.0
121.02938	0.6
121.04890	3.0
134.03729	2.1
137.02489	0.5
141.01979	0.3
148.04015	1.5
148.07686	9.1
149.02464	0.3
149.06013	0.4
160.05350	0.6
161.04568	1.0
164.07144	0.4
177.01907	0.3
178.02718	1.6
192.06662	27.5
193.01411	0.3
193.05090	0.7
193.07039	1.6
193.08710	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0716
Annotation	Methyl D-galactoside
Peak:m/z	Relative Intensity
55.01871	3.4
57.03443	11.9
58.00587	4.8
59.01379	69.7
60.01717	1.1
67.01876	1.1
69.03459	5.9
71.01383	26.4
71.28857	1.9
72.99306	9.5
73.02947	19.2
75.00865	4.0
81.03452	3.1
83.01392	15.2
83.05029	1.9
84.02164	3.6
85.02951	100.0
86.03291	2.2
87.00884	11.4
87.03362	1.9
87.04508	2.2
89.01302	3.4
89.02445	5.8
93.03449	2.2
95.05032	13.8
97.02948	3.1
97.35232	1.2
99.00871	3.7
101.02442	11.5
103.00360	2.7
103.03987	4.2
105.00140	1.1
105.03809	2.9
109.02946	1.2
111.00888	9.1
111.04545	2.7
113.01324	6.9
113.02424	3.8
113.06063	2.2
121.02922	1.2
121.06576	1.0
122.55243	1.2
125.02432	1.4
129.01950	2.4
129.05573	1.3
131.03508	66.7
132.03831	1.9
134.03749	2.3
137.02458	1.5
139.03972	2.1
149.06100	1.4
150.03122	1.9
157.05034	1.4
161.04486	2.1
162.64664	1.1
173.04535	1.7
175.06114	75.3
176.06447	1.9
178.02678	4.4
189.74675	1.0
193.01642	1.9
193.07176	95.2
194.07585	3.3
194.85907	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1442
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien-8-ol
Peak:m/z	Relative Intensity
56.79086	1.3
57.03454	7.5
58.60550	1.3
59.01382	14.7
61.01264	1.5
65.89235	1.5
67.01899	4.4
69.03459	42.1
71.01383	8.2
71.05008	1.5
71.93033	1.4
72.99310	5.4
73.02938	5.1
83.05028	12.4
85.02955	56.9
87.00880	51.7
89.02472	1.3
93.03455	8.8
99.00873	1.7
99.04529	1.4
101.02443	3.9
109.06651	1.5
111.00887	100.0
111.04514	2.0
112.01248	3.1
117.01953	1.7
118.99284	1.4
119.05019	2.5
121.02943	2.5
127.04017	3.5
129.01930	6.7
131.03453	1.8
135.04497	1.5
137.09734	3.0
147.04532	5.7
148.01649	2.2
148.04005	2.5
149.02438	1.6
154.99861	2.1
161.13364	85.9
162.13713	3.3
163.04021	1.8
171.02994	1.7
173.00929	2.9
173.04442	1.7
173.13405	2.2
175.11398	2.0
176.01122	8.0
189.12885	1.8
190.99908	2.8
191.01918	6.8
191.03580	11.6
191.05611	88.9
191.07109	6.0
191.08539	2.2
191.10793	3.9
191.14412	47.5
192.06215	2.7
192.14687	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	191.0197
Annotation	Citric acid
Peak:m/z	Relative Intensity
51.57346	0.3
55.01878	0.6
57.03449	9.3
59.01098	0.8
59.01378	8.4
67.01891	3.8
69.03451	0.4
71.01382	4.6
72.99307	3.0
73.02940	1.7
75.20994	0.4
83.01391	0.9
83.05013	0.6
85.02953	47.1
86.03314	1.0
87.00876	52.3
87.04498	0.9
88.01198	0.6
89.02451	1.1
93.03444	1.6
99.00899	1.1
101.02442	2.3
101.06078	0.6
102.98621	0.7
103.04007	0.8
104.78915	0.4
111.00883	100.0
112.01245	2.0
112.98844	2.0
116.76381	0.4
117.01978	0.7
119.04984	0.8
127.04004	0.9
129.01955	7.0
129.05589	0.5
130.99829	0.9
131.03493	1.9
132.81979	0.4
145.86296	0.7
147.03011	0.8
147.04503	1.4
147.06575	0.5
148.01645	0.5
149.02383	0.7
154.99838	0.9
155.03499	0.6
163.04005	0.6
173.00894	1.4
173.04576	0.6
176.01103	0.8
182.32909	0.4
191.01990	10.6
191.03571	1.7
191.05600	14.5
191.07249	0.5
191.09258	1.8
192.06161	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0349
Annotation	Pisonin F
Peak:m/z	Relative Intensity
57.03444	0.4
59.01360	0.9
62.57950	0.3
65.36076	0.3
67.01888	0.4
71.01364	0.4
72.99308	0.7
85.02950	3.4
87.00880	3.1
93.03461	0.5
111.00882	5.7
119.05017	1.1
121.02951	100.0
122.03297	2.7
127.04047	0.4
129.01939	0.5
131.03540	0.3
147.04507	7.0
148.01682	0.3
163.03995	0.8
173.00934	0.4
176.01141	0.6
191.01970	0.6
191.03508	7.7
191.05600	5.4
191.07109	0.3
192.03781	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0197
Annotation	Unknow
Peak:m/z	Relative Intensity
54.85398	0.5
57.03448	8.0
59.01373	3.4
60.54431	0.4
63.34837	0.4
67.01888	3.4
68.99856	0.4
70.33335	0.5
71.01385	3.8
71.28879	1.1
72.99297	1.1
73.02945	1.0
73.55766	0.5
83.01458	1.0
85.02953	36.6
86.03289	0.8
87.00878	48.2
95.57216	0.4
99.00883	1.3
101.02462	1.0
102.98543	0.5
111.00882	100.0
112.01222	2.4
112.98821	6.1
119.22136	0.4
129.01944	6.0
130.99800	1.1
147.02991	1.0
154.99890	1.4
173.00938	2.3
191.01981	8.4
191.05594	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	189.0921
Annotation	Bruguierol A
Peak:m/z	Relative Intensity
59.16477	0.3
61.60785	0.3
69.25345	2.5
69.25765	0.9
85.02964	0.3
87.04511	8.0
91.05537	9.9
97.02944	0.4
98.20583	0.8
101.03984	1.2
117.03466	26.5
118.03806	1.1
119.05012	2.7
135.04478	0.8
143.08681	0.4
143.86536	0.9
146.03738	0.8
161.09721	4.8
171.08087	0.7
189.09209	100.0
190.09526	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	191.0197
Annotation	2-Dehydro-3-deoxy-D-glucarate
Peak:m/z	Relative Intensity
52.26545	0.6
55.01877	2.2
57.03448	11.5
58.00597	0.8
58.99620	0.8
59.01379	14.3
64.31422	0.5
67.01894	4.2
68.99827	1.3
69.03451	0.7
69.22048	4.9
71.01382	21.9
71.05015	0.7
72.99310	6.2
73.02930	4.2
75.00868	0.9
78.93941	0.5
82.38031	0.6
83.01385	6.6
83.05042	1.0
84.99291	0.7
85.02952	51.5
86.03277	0.8
87.00877	58.2
87.04517	0.6
88.01208	0.9
89.02452	1.5
89.29883	0.5
91.95387	0.5
92.62840	0.6
92.96027	1.0
93.03460	2.3
99.00882	9.3
99.04533	0.8
99.76237	0.5
101.02443	4.5
102.98564	0.8
109.03005	0.7
111.00884	100.0
111.04504	1.6
112.01244	2.6
112.98811	42.8
113.99124	0.6
115.00393	2.1
115.04008	0.9
117.01936	1.6
121.84336	0.6
123.03163	0.6
127.04016	1.7
129.01944	7.6
129.05547	0.8
131.03499	1.3
142.99866	1.3
147.02943	1.2
147.04578	0.5
148.94965	2.2
154.99832	1.3
162.94775	0.7
173.00940	2.2
173.04538	2.2
176.01144	0.7
178.01149	0.5
190.94392	0.9
191.00208	1.1
191.01970	11.4
191.05609	31.8
191.09190	1.4
191.26770	0.6
192.05919	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0353
Annotation	Kynurenic acid
Peak:m/z	Relative Intensity
50.51912	0.2
58.02962	0.2
59.01380	5.6
61.98830	1.4
65.99844	0.4
70.24449	0.1
70.67481	0.3
71.01369	0.3
71.05034	0.3
71.48106	0.1
72.99333	0.2
73.58963	0.1
83.01392	0.2
83.04992	0.2
84.08289	0.1
87.92519	0.2
99.00860	0.2
100.07648	0.2
102.03481	0.8
113.09798	0.1
114.09270	0.4
116.05035	0.5
116.05845	0.3
117.03458	0.2
118.02985	2.5
119.05347	0.3
126.06454	0.2
127.07648	1.0
129.05594	1.0
130.04370	0.2
141.86816	5.3
142.08696	0.4
143.07164	0.6
144.04550	100.0
145.02982	0.3
145.04909	3.6
145.06639	0.2
147.06630	2.0
159.03287	1.1
159.87892	1.6
160.03978	0.3
161.06139	0.2
170.05452	0.2
170.88893	0.3
171.06679	0.4
172.34023	0.1
174.03189	0.6
187.86073	0.3
188.03479	3.8
188.09166	1.2
188.90083	0.2
189.01852	0.2
189.03983	0.2
189.05614	0.5
189.07710	1.2
189.11320	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0927
Annotation	(2S)-2-{[1-(R)-Carboxyethyl]amino}pentanoate
Peak:m/z	Relative Intensity
57.03456	1.2
58.02979	21.9
59.01380	26.5
66.03494	0.7
68.05042	4.3
69.03452	4.5
69.71006	3.6
71.01393	1.6
71.05015	6.7
72.00863	0.8
72.04530	0.6
72.99313	7.2
73.02958	2.3
75.00880	2.8
83.05023	4.5
84.04546	0.6
85.02971	1.2
85.06612	2.4
87.04515	0.9
88.04041	2.9
91.34501	0.5
92.14329	0.5
95.52812	0.6
96.04561	0.6
97.02963	0.9
98.02505	3.5
98.06128	2.1
98.06914	0.6
99.00880	1.2
99.04524	10.2
100.07690	25.4
101.06104	3.3
101.08022	0.6
102.05584	2.8
111.00837	0.7
111.04485	1.0
114.05625	2.8
114.09246	61.7
115.00433	0.7
115.09563	1.3
116.07191	3.3
126.05542	0.7
126.09267	0.9
127.04008	1.5
128.03537	1.2
129.01917	1.2
129.05579	22.8
140.07185	1.0
141.86823	0.6
142.05128	3.2
142.08736	95.9
143.09103	2.1
144.04579	1.4
144.06630	1.3
144.10307	1.7
146.08240	10.9
147.00644	0.8
147.06636	52.4
170.08217	1.9
171.03032	2.3
186.07674	1.4
188.09279	100.0
189.04004	2.3
189.07700	2.2
189.09618	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	188.0928
Annotation	Swainsonine N-oxide
Peak:m/z	Relative Intensity
58.02974	20.4
59.01374	7.6
66.00632	0.6
68.05051	5.4
69.34042	4.7
71.05011	0.7
72.99298	0.6
73.14673	0.6
88.30446	0.6
90.70138	0.6
98.06122	2.2
98.20624	1.0
99.04507	1.9
100.07675	22.8
114.09248	61.6
114.18584	0.6
115.09583	1.5
128.07176	0.7
129.05605	1.9
140.07202	1.1
141.56944	0.7
141.86812	1.8
142.08733	93.9
143.09071	2.3
146.08224	6.1
147.06616	8.7
170.08168	1.5
186.07646	1.8
188.09274	100.0
189.07787	1.2
189.09641	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	189.0769
Annotation	Diethylene glycol diacetate
Peak:m/z	Relative Intensity
54.52942	0.8
57.03433	2.1
59.01379	93.9
69.03462	1.6
70.23242	2.6
70.23656	1.7
71.01377	2.8
71.05013	2.0
72.99284	1.8
75.00870	1.2
83.05010	1.1
85.06588	1.9
93.15697	0.8
97.02939	8.6
99.00877	2.9
101.06080	3.0
129.01959	5.2
129.05579	10.0
146.08299	1.5
147.06631	100.0
148.06943	2.1
174.01671	1.5
189.04031	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	181.0718
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	6.5
57.03437	3.4
58.00600	1.9
59.01381	54.8
60.01695	0.8
69.03446	2.2
70.38106	2.8
71.01384	74.9
72.01691	0.9
72.99300	2.8
73.02952	13.7
78.98569	1.1
81.90839	0.7
83.01389	11.3
85.02954	13.8
87.00864	2.2
89.02447	49.8
90.02782	0.8
92.98415	0.8
95.01389	1.4
97.02944	4.0
101.02445	100.0
102.02770	1.7
113.02452	7.0
115.04031	1.2
119.03497	11.3
131.03497	2.8
135.04515	1.4
138.05600	0.9
147.52457	0.8
149.04549	1.8
161.04613	1.6
163.04031	1.9
163.06117	11.1
166.02676	1.0
181.01466	1.0
181.07175	54.9
182.07527	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.1389
Annotation	11-Undecanolactone
Peak:m/z	Relative Intensity
58.25615	0.4
59.53460	0.4
60.89157	0.4
71.31439	0.7
80.00763	0.4
90.75005	0.4
108.31054	0.5
139.00188	0.5
177.39488	0.5
183.03024	2.5
183.13892	100.0
184.14223	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	186.0771
Annotation	6-Acetamido-2-oxohexanoate
Peak:m/z	Relative Intensity
52.07896	1.1
57.03446	2.2
58.02977	79.2
59.01374	3.9
66.03472	1.6
68.05042	5.8
69.03458	5.0
70.61554	1.0
71.01358	1.7
71.05016	1.9
71.25237	2.7
72.00899	1.7
72.99309	54.8
73.02972	1.7
74.02469	4.8
80.05061	4.0
81.03456	1.9
82.02983	1.7
82.06625	16.1
83.05021	7.3
84.04548	13.6
85.02969	1.4
96.04556	3.4
97.02939	1.2
97.06590	23.3
98.06109	4.0
98.06902	1.2
99.04501	2.7
100.07681	26.9
103.18227	1.1
104.03538	5.9
106.06639	5.2
108.04536	2.0
109.02985	1.8
110.06104	2.2
111.00871	2.1
112.04062	2.6
112.07687	1.4
114.00191	20.7
114.09248	62.6
115.05563	5.4
115.09538	2.0
122.06089	1.4
124.07686	83.1
125.02445	2.6
125.06100	6.9
125.08030	2.6
125.09707	3.3
130.08736	1.9
140.07185	4.8
142.03322	3.3
142.08748	15.8
143.07129	4.1
144.06671	3.6
159.04501	2.1
168.06659	100.0
168.88971	2.4
169.05113	3.1
169.07019	2.5
169.08504	1.1
186.02196	3.7
186.07716	65.2
187.03975	3.8
187.06215	6.2
187.07742	2.4
187.09633	1.5
196.46295	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0507
Annotation	cis-3-(3-Carboxyethenyl)-3,5-cyclohexadiene-1,2-diol
Peak:m/z	Relative Intensity
53.65620	0.7
55.01876	5.2
57.03439	2.5
58.00581	1.9
59.01378	40.6
61.51271	0.7
69.03461	1.1
69.52807	0.7
69.75761	4.2
70.45938	0.7
71.01380	57.8
71.37722	0.6
72.01718	0.9
72.99306	34.5
73.02941	13.9
75.00879	0.8
83.01380	8.2
85.02946	9.4
87.00884	1.7
89.02441	33.0
90.02760	0.9
90.67194	0.8
91.04002	0.6
93.03448	4.5
97.02942	3.8
99.00874	1.1
101.02439	80.5
102.02777	1.2
107.05024	4.9
109.02840	0.7
113.02431	5.4
115.04016	1.6
117.03496	0.8
119.03625	9.7
119.05021	55.8
120.05379	2.8
121.02944	1.9
131.03474	1.9
134.03729	12.6
135.04523	89.8
136.04890	2.4
137.02444	1.1
137.09735	1.4
148.31328	0.7
149.04591	1.1
151.00359	1.0
161.04547	0.7
163.04004	100.0
163.05978	8.6
164.04349	3.5
166.02716	2.6
181.05064	57.0
181.07164	39.7
181.08401	1.3
182.05345	2.3
182.07509	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0718
Annotation	Allitol
Peak:m/z	Relative Intensity
55.01882	5.0
57.03448	3.7
57.20742	0.5
58.00582	1.8
59.01379	49.2
60.84338	0.5
66.05381	0.5
69.03455	1.5
69.27641	4.7
71.01382	67.2
72.01722	1.0
72.99312	1.2
73.02947	13.8
83.01391	10.7
84.47315	0.5
85.02947	13.7
87.00882	1.7
89.02444	45.5
91.03994	1.4
96.68716	0.5
97.02962	3.4
98.19910	0.8
99.00881	1.0
101.02443	100.0
102.02804	2.4
103.04033	1.0
103.40076	0.5
113.02446	6.5
115.04007	2.6
119.03504	11.8
121.05043	0.6
131.03503	3.3
149.04564	1.7
161.04550	1.9
163.06125	12.3
181.07176	54.2
182.07520	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0718
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	6.7
57.03453	3.9
58.00591	2.1
59.01380	51.3
63.96240	1.4
69.03442	2.1
69.77733	1.4
69.78130	2.1
71.01382	76.7
72.01733	1.0
72.99313	1.8
73.02946	14.4
78.98595	6.0
83.01382	11.9
85.02950	13.0
87.00884	1.2
89.02445	46.7
90.02763	0.9
91.04010	0.7
95.01353	1.0
97.02940	3.6
99.00887	1.0
99.37215	0.7
101.02441	100.0
102.02800	1.4
113.02455	7.8
115.04000	1.4
119.03503	11.6
131.03505	2.9
134.19928	0.9
149.04552	1.6
161.04518	1.1
163.06133	13.4
181.07178	52.2
182.07538	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0612
Annotation	2-Isopropylmalic acid
Peak:m/z	Relative Intensity
57.03451	0.8
57.54500	0.4
59.01380	4.6
69.91472	2.0
71.01382	1.4
71.05025	0.4
72.99311	1.3
73.02951	0.6
83.01370	0.4
85.06588	46.1
85.43700	0.4
86.06928	1.3
87.00868	1.4
87.04511	2.1
99.00901	0.7
103.66536	0.4
113.06091	39.3
114.06426	1.0
115.00368	1.6
115.04012	100.0
116.04339	1.8
127.00386	1.0
129.05583	1.7
131.06216	0.7
131.07146	8.0
157.05055	8.8
158.63670	0.4
168.21306	0.5
174.65051	0.4
175.06116	44.4
176.06421	1.5
184.38144	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0612
Annotation	alpha-Isopropylmalate
Peak:m/z	Relative Intensity
50.09894	0.4
55.01857	0.5
58.25531	0.4
59.01379	27.6
69.03484	0.5
70.88407	1.1
71.01376	2.1
71.05013	2.7
72.99313	1.8
73.02948	1.4
83.01379	0.8
85.06590	23.5
87.00876	100.0
87.04510	6.1
88.01215	1.5
99.06747	0.6
101.02442	7.7
113.06085	21.3
115.00378	3.2
115.04006	7.3
127.00385	2.9
129.05568	1.7
131.07169	1.9
157.05055	2.1
174.88931	0.5
175.02521	1.0
175.06108	25.3
176.06561	0.7
185.43675	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0975
Annotation	L-Cladinose
Peak:m/z	Relative Intensity
50.78293	0.7
55.41843	0.7
56.19769	0.7
59.01379	4.3
69.03438	2.2
69.28629	3.3
69.29053	2.7
71.01379	4.3
72.99314	2.4
73.02937	1.2
75.47229	0.7
76.93085	0.6
79.76239	0.7
83.01356	0.8
83.05023	2.1
85.02953	26.4
85.06586	25.7
87.00873	10.2
95.05030	0.9
98.20728	1.2
99.00873	1.2
99.08165	1.1
99.58044	0.6
100.52560	0.7
101.06081	27.2
106.27012	0.6
109.89968	0.6
113.06088	62.3
115.00376	9.5
115.04092	0.8
115.07635	1.5
121.02942	0.9
127.00373	2.4
127.07664	1.0
129.05580	49.0
129.09227	8.6
130.05911	1.2
131.07141	31.8
145.02948	1.1
147.04576	1.0
147.08141	1.5
157.06570	2.3
159.04506	3.4
160.05257	2.1
174.06880	1.5
174.88933	1.2
175.02455	3.2
175.03917	1.5
175.06171	1.8
175.07582	12.2
175.09753	100.0
175.11087	3.4
175.54893	0.7
176.10104	2.8
176.12601	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	178.9507
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59574	0.2
59.01400	0.4
61.98804	0.2
69.82673	0.9
69.83087	0.4
70.30307	0.2
75.53764	0.2
87.00875	0.6
99.00924	0.3
119.93764	1.0
129.09245	0.2
134.96091	53.4
135.96153	2.8
136.94009	100.0
137.94095	5.8
151.92715	17.8
151.94014	0.3
152.92793	1.2
153.14502	0.2
178.08340	0.2
178.95059	61.6
179.95174	3.7
196.96080	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0819
Annotation	Dimethoxane
Peak:m/z	Relative Intensity
57.03425	0.9
59.01381	100.0
60.01719	1.3
60.99300	2.2
67.01888	10.0
69.03433	1.9
71.01377	3.0
73.02944	1.4
83.05022	2.0
85.02958	0.9
85.06592	25.9
87.23922	1.1
93.02860	1.7
93.03460	31.6
94.03779	1.5
99.00880	1.7
99.04519	1.2
111.00841	2.2
111.04496	3.7
111.08175	7.0
113.06091	15.7
129.09209	2.9
131.07141	99.3
132.07462	2.0
139.54654	1.0
151.87743	1.0
154.99921	1.3
173.04535	2.6
173.05925	2.0
173.08174	4.3
173.09602	1.7
173.11810	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0819
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03425	0.9
59.01381	100.0
60.01719	1.3
60.99300	2.2
67.01888	10.0
69.03433	1.9
71.01377	3.0
73.02944	1.4
83.05022	2.0
85.02958	0.9
85.06592	25.9
87.23922	1.1
93.02860	1.7
93.03460	31.6
94.03779	1.5
99.00880	1.7
99.04519	1.2
111.00841	2.2
111.04496	3.7
111.08175	7.0
113.06091	15.7
129.09209	2.9
131.07141	99.3
132.07462	2.0
139.54654	1.0
151.87743	1.0
154.99921	1.3
173.04535	2.6
173.05925	2.0
173.08174	4.3
173.09602	1.7
173.11810	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	175.0248
Annotation	(4S)-4,6-Dihydroxy-2,5-dioxohexanoate
Peak:m/z	Relative Intensity
55.01879	10.8
57.03441	3.6
58.00573	1.5
59.01379	60.4
60.08029	1.4
65.08467	1.7
68.99819	4.2
70.97598	3.6
71.01381	66.3
72.99306	71.0
73.02950	14.5
75.00879	12.3
80.99815	1.5
83.01386	21.8
85.02958	11.3
87.00878	100.0
89.01981	1.6
89.02436	7.8
96.99331	1.9
99.00883	38.9
101.02442	6.4
103.00359	2.3
111.00871	5.5
112.98825	2.7
113.02446	4.5
113.06026	1.4
114.34078	1.4
115.00378	92.2
116.00694	2.2
117.01951	7.4
124.98801	2.0
127.00375	58.3
128.74271	1.4
129.01939	3.4
139.00345	3.7
145.00356	2.4
145.01436	17.7
147.02966	1.5
157.01382	2.1
175.02495	26.4
175.06145	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	175.0248
Annotation	(4S)-4,6-Dihydroxy-2,5-dioxohexanoate
Peak:m/z	Relative Intensity
55.01867	3.2
57.03434	2.0
58.02979	1.5
59.01381	64.6
63.43233	1.1
65.30671	1.0
67.87906	0.9
69.03471	1.3
69.90862	5.3
71.01382	100.0
71.52438	1.0
72.01727	1.9
72.99310	17.5
73.02953	5.8
75.00868	4.5
79.42723	1.1
83.01398	9.0
85.02940	5.7
87.00875	28.4
89.02454	2.3
92.25085	1.2
95.72134	1.2
99.00865	8.6
100.07676	1.2
101.02493	2.4
101.08002	2.3
112.98779	1.5
113.02423	2.3
115.00374	36.4
115.04019	12.6
117.01913	2.2
127.00378	19.2
129.07521	4.7
131.03479	1.6
133.05066	17.4
139.68034	1.1
145.01419	2.4
157.01367	2.2
174.82870	2.0
175.02518	7.2
175.06184	7.1
175.08014	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	173.0091
Annotation	L-dehydro-ascorbate
Peak:m/z	Relative Intensity
53.00314	4.6
55.01881	4.3
57.03445	2.8
58.02988	1.4
59.01099	1.2
59.01379	13.5
63.30128	0.6
64.68655	0.7
67.01885	3.0
68.99825	4.2
70.94088	1.8
71.01382	79.4
71.05059	1.3
71.23846	0.8
72.01733	1.1
72.99304	6.9
73.02944	6.1
80.99811	1.6
83.01390	11.0
83.04989	0.9
84.99298	1.5
85.02969	2.9
85.06586	7.9
86.06105	1.0
87.00871	11.1
93.03468	3.4
96.49529	0.7
96.99300	5.8
97.86674	0.7
99.00266	0.7
99.00874	20.3
99.04520	0.9
100.07687	2.9
101.02468	1.4
111.00882	15.9
111.04516	5.5
112.98813	96.0
113.99175	1.2
115.00366	6.1
124.98807	24.1
125.99133	1.1
128.07196	5.9
129.01964	1.3
129.05583	2.7
129.73509	0.8
132.06645	0.8
140.98299	5.1
142.99861	100.0
144.00223	2.0
154.99884	1.0
155.03549	2.1
163.19742	0.7
172.83052	3.0
173.00925	2.8
173.04543	5.4
174.07703	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	173.0091
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00299	2.2
55.01881	4.4
57.03439	2.9
58.02963	0.8
59.01384	11.7
60.99297	0.9
67.01897	5.1
68.99816	3.1
69.09266	0.6
71.01380	84.7
71.19588	1.1
72.01686	0.8
72.99305	5.2
73.02944	6.0
75.78880	0.6
80.99830	1.8
83.01385	11.8
83.05048	1.4
84.99294	1.2
85.02959	3.2
85.06590	1.8
87.00874	12.1
91.05068	0.7
93.03429	3.7
96.99329	3.2
99.00877	20.7
100.07677	1.1
111.00876	17.3
111.04520	2.1
112.98810	100.0
113.99148	1.8
115.00372	5.7
124.97923	1.3
124.98798	15.5
128.07153	1.0
129.01973	0.9
129.05556	1.9
140.98288	2.4
142.99861	52.0
144.00233	1.6
173.00917	4.6
173.04512	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.1027
Annotation	(-)-Blastmycinolactol
Peak:m/z	Relative Intensity
55.01863	0.4
59.01367	0.4
61.98827	0.8
63.08243	0.2
65.00309	0.4
69.21640	2.9
71.01376	0.3
71.05016	0.3
78.90866	0.3
89.02441	0.4
99.00886	0.9
99.08166	0.8
99.92591	1.2
112.98549	0.3
114.39811	0.3
125.09721	3.8
127.07673	1.9
127.11284	7.2
128.11595	0.4
134.86613	0.4
145.96065	0.3
153.09210	1.5
170.83356	0.7
171.02011	1.2
171.10266	100.0
171.13795	4.5
171.91138	0.3
172.10591	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	172.098
Annotation	Acetyl-DL-Leucine
Peak:m/z	Relative Intensity
54.26554	0.3
58.02972	2.2
59.11034	0.3
62.10605	0.3
63.81335	0.3
69.19098	3.2
93.03463	1.2
110.91496	0.3
128.10812	5.7
130.08742	100.0
131.09084	2.4
172.09804	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	173.0091
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00310	2.2
55.01875	5.7
55.44785	0.6
57.03452	3.6
58.00587	1.2
58.02960	0.8
58.21281	0.7
59.01381	12.6
60.99296	1.2
67.01897	4.1
68.99827	3.0
69.03458	0.9
69.90845	2.0
71.01383	92.1
71.05019	0.8
72.01720	1.4
72.99295	6.5
73.02949	8.0
80.99824	1.1
83.01389	14.7
83.05021	1.5
84.99307	1.3
85.02965	3.0
85.06599	2.8
87.00878	14.1
93.03455	2.5
96.99328	3.1
97.02937	0.7
98.20534	1.3
98.46510	0.8
99.00879	22.1
99.04522	0.9
100.01267	0.7
101.06068	0.9
111.00885	16.7
111.04518	4.3
112.98812	100.0
113.99129	1.9
115.00372	6.5
117.01889	0.7
118.86127	0.7
124.98806	18.5
127.00351	1.1
128.07181	1.2
129.05600	2.2
139.39938	0.7
140.98311	1.9
142.99863	56.6
144.00206	1.0
145.01385	0.7
154.99857	1.3
173.00975	3.9
173.02184	0.7
173.04506	2.6
173.08115	0.8
174.07738	1.4
189.13095	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0143
Annotation	Gallate
Peak:m/z	Relative Intensity
55.01879	22.9
57.03450	19.4
57.73466	3.7
62.40764	3.6
67.01893	27.7
68.99819	61.9
69.03109	7.0
69.03454	69.4
69.59293	14.1
69.59726	10.8
71.01379	34.2
72.99320	7.7
79.01891	23.5
83.01383	75.3
85.02952	100.0
95.01390	54.1
96.99319	24.3
97.02937	46.3
98.76756	4.2
99.00872	18.7
106.98988	4.6
110.00094	11.6
111.00899	32.8
113.02448	65.9
113.99523	5.2
123.00900	64.5
125.02441	19.8
125.98716	6.0
125.99586	68.7
126.90369	7.0
126.98898	6.2
127.00363	13.5
139.00377	23.9
141.01947	73.5
151.00354	19.7
168.83636	16.4
168.98103	5.6
169.01411	60.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.1234
Annotation	3-exo-hydroxy-1,8-cineole
Peak:m/z	Relative Intensity
56.68420	0.7
57.03439	0.9
59.01366	1.5
61.98833	4.3
62.52430	0.8
65.00318	0.9
67.01884	1.5
68.99806	2.9
69.03454	4.6
70.77676	1.6
71.01409	1.3
79.01891	1.9
81.03463	3.1
83.01369	1.1
84.95116	1.3
85.02963	1.2
88.00438	0.8
95.01408	1.6
96.99309	1.3
97.02949	6.4
97.06585	1.0
98.02492	1.8
103.45367	0.8
107.05050	0.9
110.02436	0.7
113.02497	1.5
117.69209	0.8
120.14772	0.9
122.89428	19.1
123.00891	1.4
123.04586	1.2
123.08144	0.8
124.01629	1.0
125.02448	59.5
125.06071	1.9
125.09718	2.0
125.99557	2.0
126.02776	2.0
126.90343	3.0
132.86879	1.0
134.86571	2.4
140.03532	1.0
151.00357	2.4
151.04048	0.9
151.11281	2.8
158.28130	0.9
168.83600	7.5
168.91426	1.1
168.99081	5.9
169.01424	17.9
169.05075	2.4
169.12340	100.0
170.04625	1.2
170.08180	0.9
170.12711	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	170.0823
Annotation	Amphorogynine D
Peak:m/z	Relative Intensity
57.03446	1.2
58.02976	100.0
59.01382	2.1
59.03320	1.3
65.00338	0.8
65.03959	0.9
66.18928	0.5
69.03455	1.2
69.38252	4.5
70.02997	1.0
71.01379	1.1
72.04552	1.2
72.74107	0.5
78.84595	0.5
78.95921	1.7
79.95739	0.9
81.03455	0.7
83.01401	1.3
83.05027	2.3
84.01740	1.7
84.04546	1.0
85.02956	1.2
87.00860	0.6
96.96018	5.4
97.02945	1.1
97.06589	4.0
98.02485	1.2
99.00910	1.1
99.04518	1.1
108.01741	1.1
109.02946	2.2
109.06560	0.6
112.04077	0.7
119.05028	3.7
124.99403	0.7
125.02482	0.8
126.02794	1.8
126.09249	86.0
127.04025	3.5
127.07646	1.6
127.09581	2.3
128.07172	14.0
132.97684	0.6
135.04611	1.1
140.03542	1.2
141.01912	0.6
143.05017	0.6
152.00714	6.8
153.01974	0.8
154.99886	1.8
170.01750	3.5
170.04515	0.9
170.08218	5.1
170.83325	1.2
171.01810	0.6
171.03062	4.3
171.06711	0.7
171.10294	4.0
171.13902	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	168.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
56.00159	0.2
58.02977	100.0
59.03315	0.8
61.98828	0.7
63.83792	0.2
68.99831	0.3
69.03459	0.5
69.82307	0.9
70.02958	0.5
76.12405	0.2
81.03460	0.2
82.95412	0.5
91.82375	0.2
92.29968	0.2
98.20663	0.2
108.02118	0.2
122.89433	2.4
124.01588	0.2
125.02454	5.2
132.86775	0.3
141.65411	0.2
151.00336	0.3
151.11198	0.4
168.03929	0.3
168.06567	0.3
168.13914	7.4
168.83652	1.4
168.98886	0.4
169.01450	1.8
169.12381	0.3
172.01482	0.2
184.58859	0.2
188.12648	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0557
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01403	0.6
69.75417	1.9
69.75861	0.7
72.99311	34.2
87.00880	3.1
91.05537	2.0
93.03458	0.5
101.03414	0.3
101.03959	2.4
103.05541	6.7
105.01946	1.6
117.03465	1.2
119.05032	41.7
120.05351	1.3
121.02981	1.6
122.49043	0.4
144.10083	0.4
147.04526	100.0
148.04872	4.4
150.03230	0.8
165.04213	1.4
165.05566	28.7
166.05972	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	166.9986
Annotation	2-Oxo-3-(5-oxofuran-2-ylidene)propanoate
Peak:m/z	Relative Intensity
51.02365	0.8
53.00298	0.4
53.96673	0.2
55.01863	0.3
58.02975	4.3
59.01364	0.4
67.01893	1.7
68.02224	0.3
68.99816	3.3
69.03454	1.2
71.01393	0.2
71.54042	0.3
71.54430	0.3
79.01888	0.7
79.95721	0.6
80.02679	0.5
80.05064	1.3
81.03444	1.5
82.06618	3.0
83.01365	0.9
83.01821	0.2
83.05020	0.4
87.00858	0.4
89.01296	0.3
91.01844	0.5
93.03451	1.2
94.28748	0.2
94.98094	0.7
95.01389	100.0
95.05025	1.2
96.01708	2.7
96.04536	0.5
97.02956	1.6
97.06591	2.6
97.69176	0.2
99.04539	0.6
105.01979	0.3
106.06625	1.1
107.01376	0.3
108.02174	10.1
108.03280	0.6
108.04544	0.8
109.02977	0.7
110.06140	0.4
111.00879	0.7
111.04547	0.8
121.02975	1.3
121.06573	0.2
122.03766	0.6
123.00888	60.1
123.04517	6.3
123.05550	0.5
123.08138	0.6
124.01633	2.5
124.07681	4.7
125.02450	1.5
137.02449	0.6
138.03238	0.4
139.00388	0.7
139.04004	1.7
149.02475	0.6
149.99582	1.3
150.05548	0.5
152.01154	19.7
152.04771	0.5
153.01831	1.0
166.99861	9.8
167.03482	7.5
167.07147	0.8
167.08278	0.8
167.10779	0.2
168.00621	0.5
168.06689	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	167.035
Annotation	5-Methoxysalicylic acid
Peak:m/z	Relative Intensity
51.82865	0.4
55.01892	0.4
58.35192	0.3
60.55363	0.4
61.70577	0.4
65.00310	0.4
67.01888	0.9
67.90840	0.4
68.99816	1.1
69.03458	0.9
70.02318	1.4
79.01905	0.6
80.02679	1.6
80.05060	0.5
80.64726	0.4
81.03447	1.0
82.06613	0.4
83.01406	0.5
85.02953	0.5
91.01889	0.9
93.03464	1.4
94.72587	0.4
95.01386	19.9
95.05022	2.4
97.02953	1.5
97.06560	0.4
98.20608	0.6
99.04475	0.4
107.46661	0.4
108.02171	56.7
109.02469	1.5
111.00921	0.9
111.04562	0.9
121.02932	1.8
122.03729	0.5
123.00883	12.3
123.03622	0.8
123.04523	16.6
123.08163	1.3
124.01736	2.1
124.04872	0.5
124.07668	0.7
124.98849	0.5
125.02462	1.4
137.02417	0.9
138.03157	0.5
138.22980	0.4
139.00392	0.7
139.04015	2.3
139.07584	0.7
149.02458	0.8
149.06154	0.5
150.05476	0.4
152.01144	100.0
153.01463	3.4
166.99864	1.5
167.03481	20.9
167.04924	0.8
167.05605	0.5
167.07178	0.8
168.03841	0.5
168.06660	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	165.0404
Annotation	L-Lyxonate
Peak:m/z	Relative Intensity
57.03432	0.8
59.01377	9.3
69.84830	3.3
71.01385	8.3
72.99307	5.7
73.02931	3.3
75.00872	15.1
85.02960	0.7
87.00876	100.0
88.01202	2.0
89.02444	3.7
99.00878	13.0
100.01261	0.7
101.02454	3.8
105.01935	76.8
106.02265	1.2
113.21809	0.5
117.01949	3.5
119.03452	0.8
129.01923	0.8
135.03015	2.7
137.02460	0.9
147.02972	6.6
157.02364	0.5
164.83600	3.1
165.04041	49.2
166.04387	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0557
Annotation	D-(+)-3-Phenyllactic acid
Peak:m/z	Relative Intensity
52.11398	0.5
56.39997	0.5
64.26801	0.6
69.42031	4.5
70.14126	0.5
72.99310	31.6
81.06289	0.5
87.00888	1.7
91.05539	2.1
98.19835	1.0
101.03973	1.4
103.05545	5.8
105.01949	1.2
119.05032	37.3
120.05346	0.9
147.04526	100.0
148.04878	4.8
158.72787	0.5
165.04192	1.2
165.05568	26.5
166.05890	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0193
Annotation	Terephthalic acid
Peak:m/z	Relative Intensity
50.06184	0.4
59.01380	1.4
69.91330	1.8
71.01383	0.4
75.00871	0.9
77.03965	1.8
82.72571	0.4
87.00871	5.7
93.03450	2.8
95.01410	0.4
99.00871	0.8
105.01945	3.9
108.02180	0.9
109.02947	0.6
119.04953	0.5
121.02956	100.0
122.03205	2.6
135.03008	0.5
137.02504	2.0
147.04510	0.6
150.03185	1.6
156.90273	0.4
165.01938	8.3
165.04045	2.6
165.05569	1.1
165.51265	0.4
166.84293	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0405
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26684	0.5
57.03440	0.8
59.01381	9.3
64.51178	0.6
67.01898	1.0
69.75667	3.5
71.01382	8.4
72.99307	5.3
73.02951	3.0
75.00868	12.6
77.31329	0.6
85.02966	0.6
87.00877	100.0
88.01251	1.3
89.02450	2.7
93.03464	1.4
95.01430	0.6
98.20535	1.0
99.00881	12.6
100.93587	0.6
101.02444	5.0
104.29152	0.6
105.01933	75.7
106.02296	1.5
108.04545	0.8
109.02976	1.4
117.01939	3.2
119.03513	1.0
121.02960	10.7
122.02451	0.9
122.03751	2.0
129.01941	0.8
135.02982	3.0
137.02458	4.1
138.05565	0.9
147.02995	6.2
150.03200	7.2
164.83627	3.3
165.02046	3.0
165.04041	46.6
166.04372	0.7
178.53384	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0406
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	0.7
59.01375	7.2
68.99821	0.6
70.67774	0.6
70.68119	0.7
71.01379	6.6
72.99309	4.7
73.02941	3.1
75.00875	9.1
80.37621	0.4
85.02927	0.5
87.00875	100.0
88.01210	1.6
89.02441	2.8
90.75574	0.4
96.26568	0.4
99.00878	12.9
101.02442	3.4
103.00390	0.5
104.32733	0.4
105.01933	78.4
105.35925	0.4
106.02276	1.0
112.63518	0.4
117.01954	3.7
119.03493	1.2
129.01935	0.7
135.03029	2.5
147.02992	6.5
162.74709	0.4
164.83713	0.9
165.04037	47.7
166.04338	1.1
175.36534	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0191
Annotation	Piperonylic acid
Peak:m/z	Relative Intensity
53.37807	0.3
59.01372	2.6
65.00327	0.7
65.03962	1.1
67.01885	2.5
68.99818	2.1
69.03450	4.4
69.45909	0.8
69.46315	2.0
71.01395	1.9
72.99316	1.8
73.02933	0.7
75.00863	2.8
77.03968	7.5
79.01894	2.3
81.03437	0.4
83.01383	12.2
85.02953	0.4
87.00875	18.1
89.02438	0.7
91.28073	0.4
92.99839	0.4
93.03458	12.9
95.01398	2.5
97.02951	13.3
98.20708	0.5
99.00878	2.3
101.02451	0.9
105.01933	14.4
108.02173	0.9
108.75678	0.3
109.02953	10.2
109.99007	0.3
117.01942	0.7
119.05008	1.4
120.78194	0.3
121.02953	39.9
122.03250	0.5
122.03778	0.3
123.00864	1.5
123.04517	0.9
135.00882	1.3
135.03000	0.3
136.01683	0.7
137.02441	100.0
138.02797	3.1
139.03979	0.7
147.02997	1.3
147.04453	1.7
149.00955	1.3
149.02367	0.3
150.03191	2.8
151.00369	0.5
164.83572	0.4
164.89525	0.4
165.01926	77.0
165.04071	8.5
165.05568	2.4
165.09184	0.7
166.02293	2.5
166.05118	1.1
175.28619	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	164.0717
Annotation	L-Phenylalanine
Peak:m/z	Relative Intensity
50.22779	0.4
59.01390	0.8
64.58362	0.4
65.98495	0.5
72.00910	40.9
73.01250	0.6
75.00912	0.6
77.03329	0.5
81.59206	0.5
82.37646	0.5
84.60732	0.4
87.00877	4.4
89.45882	0.5
91.05538	2.9
93.03492	1.0
98.20636	1.8
99.00908	0.6
102.02776	0.6
103.05548	6.0
105.01949	3.3
105.04973	0.6
118.06635	0.6
119.05047	2.1
120.05344	1.4
121.02926	3.5
137.02512	0.6
147.04524	100.0
148.04863	4.6
150.03227	0.6
164.07169	44.7
165.01886	0.5
165.04053	2.5
165.07541	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	164.0717
Annotation	L-Phenylalanine
Peak:m/z	Relative Intensity
59.01380	0.8
63.79993	0.6
66.33099	0.4
69.47085	1.1
69.47492	2.4
71.01377	1.3
72.00910	41.6
72.95628	0.5
72.99319	0.7
75.00861	1.6
80.75343	0.5
87.00882	8.7
91.05532	2.4
93.03481	0.9
99.00903	1.1
101.02515	0.8
103.05544	5.5
105.01937	7.3
118.06602	0.9
119.05071	3.2
120.05365	3.4
121.02955	7.4
137.02440	1.5
147.04530	100.0
148.04857	4.6
149.02458	1.1
150.03238	9.6
164.07178	42.3
165.01987	1.1
165.04051	5.2
165.05501	1.1
165.07500	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	163.0401
Annotation	4-Coumaric acid
Peak:m/z	Relative Intensity
55.01884	0.1
58.99599	0.5
59.01378	1.2
63.94733	0.2
71.01395	0.9
72.75206	0.1
72.99305	0.2
73.02940	0.4
73.70438	0.1
84.81761	0.1
85.02940	0.5
87.78107	0.1
89.02436	0.3
91.04025	0.1
91.05550	0.5
93.03450	2.2
101.02457	2.0
101.03927	0.2
102.98602	1.0
107.05031	0.2
110.74120	0.1
113.02415	0.1
117.03478	0.5
119.05026	100.0
120.05362	3.5
134.03751	0.4
135.00830	0.3
135.04509	0.5
148.58066	0.1
152.95509	0.2
157.88760	0.1
163.00351	1.2
163.02573	0.2
163.04002	4.8
163.06088	1.1
163.07500	0.2
164.04323	0.2
174.73845	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0401
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30107	0.1
50.44480	0.2
50.49114	0.1
50.50736	0.2
51.58045	0.1
58.99610	0.3
59.01379	0.4
69.49087	0.3
69.49490	1.0
71.01386	0.6
73.02930	0.2
83.40495	0.2
85.02967	0.3
85.45114	0.2
91.05540	0.4
93.03443	1.1
101.02451	1.0
101.03978	0.5
102.98593	0.4
105.76775	0.1
114.46068	0.2
117.03500	0.3
119.05027	100.0
120.05358	3.6
126.58240	0.2
137.72763	0.2
163.00343	0.6
163.04007	5.7
163.06181	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1123
Annotation	4-Isopentylphenol
Peak:m/z	Relative Intensity
58.37735	0.9
59.01372	3.9
61.98832	9.1
67.89606	0.8
69.54354	6.6
71.01369	4.0
72.95672	0.9
73.02931	1.4
85.02963	1.1
89.02408	1.4
91.01878	1.0
98.19980	1.9
101.02445	6.2
107.05045	1.1
108.40816	0.9
111.20910	0.9
116.92081	6.8
119.05030	40.8
119.63317	0.9
120.05360	2.8
162.89439	1.5
163.00368	3.2
163.04039	3.2
163.06114	3.1
163.11284	100.0
164.11600	4.4
166.51895	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	164.0716
Annotation	Unknow
Peak:m/z	Relative Intensity
55.89175	0.5
59.01388	2.2
60.35197	0.6
71.01385	1.1
72.00911	40.9
72.99322	1.1
73.02967	0.7
75.00887	1.7
87.00878	12.3
87.01385	1.0
91.05544	2.4
93.03468	1.6
98.20678	1.2
99.00888	1.7
101.02483	0.9
103.05545	4.2
105.01933	9.9
118.06648	0.8
119.05054	2.2
120.04610	0.9
120.05367	4.0
121.02958	9.4
122.03703	0.8
134.06122	0.7
137.02435	2.1
137.06096	0.7
147.04526	100.0
148.04861	4.4
149.02405	0.7
150.03229	2.2
164.07164	44.8
165.01962	1.1
165.04063	7.4
165.05460	1.2
165.07507	2.1
165.09183	0.8
177.64917	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	157.0143
Annotation	5-(Dihydroxymethyl)furan-2-carboxylate
Peak:m/z	Relative Intensity
53.00305	0.6
55.01881	3.2
57.03451	1.2
59.01381	4.7
67.01899	1.5
68.99821	15.2
70.72183	0.5
71.01383	10.3
71.53642	1.0
72.99303	1.2
73.02957	2.8
77.06199	0.5
83.01390	4.6
85.02950	1.8
87.00880	27.5
88.01202	0.7
92.56696	0.6
94.93674	0.6
99.00902	2.7
101.02441	1.5
111.00874	5.7
127.00376	100.0
128.00720	2.6
129.01938	1.9
139.00389	2.2
154.99791	0.8
157.01418	8.3
175.99666	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	158.0823
Annotation	Acetyl-DL-Valine
Peak:m/z	Relative Intensity
55.01892	0.9
55.22110	0.3
57.03453	1.4
57.50188	0.3
58.02981	1.9
59.01381	3.8
68.99825	2.0
69.03461	0.8
69.57018	2.0
71.01379	6.4
71.05022	0.4
72.99324	1.1
73.02947	8.0
75.00875	0.9
80.12934	0.3
83.01387	1.7
83.05015	0.3
85.02945	2.5
87.00873	6.4
87.01382	0.5
87.04512	0.5
88.01247	0.4
95.01396	0.3
95.05022	0.7
97.02951	0.9
97.06586	0.9
99.00879	3.2
99.92568	0.8
101.02444	4.9
107.82526	0.3
111.00885	6.3
112.01211	0.4
112.03969	0.3
113.02446	1.9
113.06108	0.7
114.06416	0.3
114.09241	7.1
114.10007	0.6
114.94921	0.5
115.00370	0.4
115.07632	0.3
116.07175	100.0
116.92859	2.2
117.05566	0.9
117.07506	3.0
124.56712	0.3
127.00346	0.8
128.00708	3.5
128.05103	0.4
129.01941	5.7
130.06612	0.8
140.07117	0.5
141.01888	0.3
142.38495	0.3
151.71526	0.3
155.49724	0.3
158.03598	2.4
158.04826	0.4
158.06258	2.8
158.08209	14.0
158.89278	1.1
159.02994	8.1
159.04402	0.9
159.06595	1.2
159.10284	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0819
Annotation	beta-Cymaropyranose
Peak:m/z	Relative Intensity
58.71162	1.0
59.01365	1.1
59.98523	1.1
69.03455	1.2
69.58531	5.1
69.58939	1.6
71.01378	15.2
71.05019	35.1
85.02931	1.6
85.06645	1.3
87.04517	19.3
98.20618	2.4
99.04517	96.2
100.04829	2.6
115.04011	53.8
115.07637	12.6
116.04314	1.8
117.05573	37.0
118.05917	1.2
161.08186	100.0
162.08569	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	163.0401
Annotation	4-Coumaric acid
Peak:m/z	Relative Intensity
50.33632	0.2
51.72197	0.2
58.02578	0.2
59.01375	0.8
59.72525	0.3
60.58595	0.3
61.98819	0.3
67.76628	0.3
71.01389	0.8
71.07610	0.4
71.07944	0.4
74.71098	0.2
75.43567	0.2
85.02924	0.3
91.05520	0.5
93.03464	1.6
101.02452	1.4
102.98598	0.4
119.05026	100.0
120.05359	3.7
130.62653	0.2
163.04012	6.6
163.06137	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0558
Annotation	3,4-Dihydroxyphenyl ethanol
Peak:m/z	Relative Intensity
65.00339	0.2
66.03470	0.4
67.01868	0.2
69.03461	0.5
69.20672	0.6
69.21082	1.6
81.03455	1.1
83.01377	0.3
93.03442	1.1
95.01393	0.6
95.05032	2.1
97.02955	0.8
105.03454	0.6
108.02165	1.1
108.87094	0.2
109.02962	5.3
109.06566	0.3
110.00086	0.8
110.03214	0.2
111.00901	0.3
121.02989	0.5
122.03731	2.7
123.04527	100.0
124.04028	1.4
124.04859	4.3
125.02444	0.7
125.06092	0.2
135.00987	0.3
135.04523	0.2
135.84441	0.2
136.04053	0.7
137.02425	0.3
137.99588	0.6
138.03146	0.3
141.19911	0.2
149.58670	0.2
151.00365	0.4
153.01981	2.5
153.05574	12.8
153.09244	0.3
153.86888	0.3
154.04935	0.3
154.05998	0.5
164.65038	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1285
Annotation	1,8-Cineole
Peak:m/z	Relative Intensity
55.01852	1.5
61.98817	3.7
65.00323	3.8
68.99834	2.4
69.03458	3.4
70.44358	2.9
71.05027	3.3
77.30913	1.1
81.03458	4.5
82.03003	1.6
83.01370	1.8
95.04992	1.7
97.02934	1.7
97.06590	37.6
98.02441	1.3
98.06903	2.3
98.19901	1.4
99.08163	11.6
108.02198	7.9
109.02960	79.4
109.06587	4.4
110.00116	2.1
110.03285	3.3
123.04514	3.9
124.04027	2.3
125.02450	6.1
125.09753	2.6
137.09729	5.9
137.99600	2.8
138.03221	2.3
144.46439	1.5
151.00398	3.1
151.11235	2.0
153.01964	23.4
153.05559	5.2
153.12852	100.0
153.86867	40.4
154.01434	1.7
154.13239	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	149.0456
Annotation	L-ribulose
Peak:m/z	Relative Intensity
57.03425	1.8
59.01383	16.1
68.81976	1.3
69.03455	2.6
71.01382	38.4
71.29601	2.1
73.02946	22.8
75.00868	2.6
75.22114	1.1
85.02945	3.7
87.00873	11.4
89.02444	100.0
90.02781	2.2
101.02457	1.8
103.04022	5.9
121.02972	1.8
130.69110	1.2
131.03490	7.6
149.04543	35.3
150.04909	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0608
Annotation	875-59-2
Peak:m/z	Relative Intensity
56.59578	0.5
59.01371	0.9
70.87443	1.3
71.01382	1.3
73.23222	0.5
76.02010	0.5
87.00872	0.6
88.49485	0.5
89.02452	1.9
93.03458	0.8
105.04314	0.5
106.04247	1.0
121.02947	2.2
134.03743	100.0
135.04085	5.8
135.33099	0.4
135.92404	0.5
149.02458	1.5
149.04564	0.5
149.06096	2.7
153.00177	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.0353
Annotation	4-Nitroanisole
Peak:m/z	Relative Intensity
56.49075	0.2
65.00338	1.3
66.03487	4.9
66.89928	0.3
67.01881	0.3
68.99819	0.4
69.03463	0.6
71.01369	0.3
71.55475	0.3
72.01688	0.2
80.96542	0.5
81.03461	1.3
83.01391	0.9
83.43614	0.2
91.01913	0.4
93.03606	0.2
95.01425	0.4
96.99300	0.4
97.02972	0.9
107.01402	0.4
108.02177	2.7
108.04579	1.3
108.05305	0.3
109.02956	18.5
109.06570	0.3
110.00085	0.7
110.02473	0.5
121.02974	1.2
122.03744	43.6
123.00862	0.6
123.04128	1.9
123.84486	0.2
124.01662	0.3
124.04055	0.8
124.04868	2.5
125.02435	2.0
135.04477	0.4
137.02087	0.6
137.99623	0.9
138.03258	0.5
151.00363	0.7
152.03534	100.0
153.01950	6.3
153.03848	4.0
153.05560	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0453
Annotation	3-Hydroxy-1-indanone
Peak:m/z	Relative Intensity
59.01370	16.4
61.98814	25.1
71.01387	24.9
75.10376	6.8
86.57098	8.0
98.19859	16.6
103.05526	24.8
119.05041	12.1
138.44960	7.9
147.04514	100.0
165.37889	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	147.0453
Annotation	3-Isochromanone
Peak:m/z	Relative Intensity
52.71958	8.5
70.69421	25.9
83.43524	7.5
103.05547	34.4
119.05050	35.5
121.88073	9.0
147.04507	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0664
Annotation	(2-Ethoxyethoxy)acetic acid
Peak:m/z	Relative Intensity
50.95120	3.6
54.13511	4.2
57.03448	43.5
66.57397	3.6
69.03460	5.5
70.98125	6.1
70.98475	6.6
71.01376	17.6
71.05033	9.0
71.98366	3.7
73.02949	13.8
85.02950	83.0
86.03320	4.9
87.00848	3.6
101.02454	41.4
101.06064	21.4
103.04001	15.3
107.38146	3.9
109.11516	3.7
147.06633	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	148.0769
Annotation	Isogentialutine
Peak:m/z	Relative Intensity
54.06284	2.9
59.01371	8.2
70.03004	3.7
70.53943	10.1
70.89201	2.9
71.01378	12.6
72.99290	4.3
73.02934	7.2
77.03996	4.0
85.32133	3.1
87.00873	5.2
89.02454	30.6
93.03435	7.0
102.03468	5.9
104.05067	9.1
116.08249	3.1
119.04993	3.4
121.02969	23.1
132.04547	12.8
134.02728	5.6
134.03745	84.1
146.02361	3.5
148.04010	5.8
148.07686	100.0
148.08850	6.0
149.02461	15.2
149.04482	9.5
149.06094	6.0
149.08041	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	145.0871
Annotation	2-Hydroxyheptanoic acid
Peak:m/z	Relative Intensity
58.42760	1.0
58.86148	1.1
59.17973	1.3
59.44097	1.0
62.74050	1.1
69.50110	2.0
69.50513	4.8
97.06597	2.9
99.08159	100.0
100.08504	5.1
121.87495	1.2
139.30652	1.3
145.08702	33.8
146.09052	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0453
Annotation	3-Hydroxy-1-indanone
Peak:m/z	Relative Intensity
69.23175	12.9
69.23740	100.0
69.24080	17.9
76.44142	10.1
87.20912	10.0
103.05560	15.3
119.04990	16.4
121.48528	10.6
129.94554	9.8
147.04486	68.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0452
Annotation	3-Hydroxy-1-indanone
Peak:m/z	Relative Intensity
57.03438	16.8
59.01370	38.8
67.50256	11.1
68.87621	11.8
69.75867	80.6
71.01370	38.3
72.99277	12.6
75.00891	19.5
77.25041	11.0
97.06039	12.6
98.19919	17.4
103.05516	21.0
119.04947	14.4
147.04535	100.0
166.00693	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	142.9986
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00307	27.3
58.02973	3.8
59.01369	10.6
68.99805	6.6
69.92411	9.0
69.92799	7.0
71.01376	46.2
80.99815	8.2
82.02995	3.2
87.00865	13.1
96.99312	25.4
99.04562	3.7
99.94048	2.6
100.07688	6.8
101.04385	4.7
102.05591	10.0
103.47231	2.8
110.11826	3.3
112.98802	40.3
115.00387	4.5
122.22604	2.6
124.98810	58.3
140.98293	12.2
142.99857	100.0
144.00192	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	143.0714
Annotation	trans-4-Hydroxycyclohexanecarboxylate
Peak:m/z	Relative Intensity
55.22843	2.5
57.03434	8.1
58.98474	2.9
69.03451	4.3
71.01377	5.9
71.05024	5.8
81.03454	4.5
83.05025	19.7
85.02974	3.1
97.06598	29.6
98.19909	8.7
99.02705	6.3
99.04499	6.3
99.08162	100.0
100.08475	5.2
125.02444	3.9
125.06107	21.0
143.07138	12.4
144.04549	8.7
144.06688	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	143.0714
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71475	3.5
55.88296	2.9
57.03441	7.8
57.22599	2.6
59.01389	4.8
64.98364	3.1
68.65066	3.4
69.03452	11.8
69.68465	3.0
69.89011	9.6
69.89445	8.7
71.01388	13.1
71.05012	5.5
80.50932	3.0
81.03442	4.2
83.05032	25.4
85.02953	10.9
97.02973	3.7
97.06577	30.6
99.02725	7.1
99.04519	8.0
99.08160	100.0
100.08494	6.1
108.01434	3.1
116.75991	3.2
125.02454	8.8
125.06072	21.4
141.74586	3.1
143.03473	6.7
143.07153	19.3
143.10756	5.7
144.04559	22.7
144.06686	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	145.0871
Annotation	Unknow
Peak:m/z	Relative Intensity
65.28101	0.7
69.29772	4.9
71.01387	0.8
83.05032	0.9
87.00858	0.6
97.06597	6.3
98.20650	1.5
99.08157	100.0
100.08495	4.2
127.07645	1.8
131.27631	0.7
143.07120	1.2
145.08701	33.5
146.02460	1.5
146.09029	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	142.9987
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00309	27.7
59.01380	10.7
63.65026	3.6
69.21198	3.6
70.66529	11.6
71.01376	44.8
72.99283	4.9
74.03055	3.9
82.02978	5.8
86.64616	4.3
87.00872	15.3
96.99328	33.1
100.89641	4.4
105.07181	4.1
112.98811	42.1
124.98815	72.6
125.99095	4.2
140.98294	12.2
142.99863	100.0
143.07085	20.5
158.99132	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	142.9986
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00310	30.7
53.20510	3.2
54.84746	3.1
59.01370	9.1
68.99803	7.3
69.28314	22.6
69.28725	7.6
71.01379	52.4
72.99304	4.2
77.34846	3.2
80.99825	8.7
87.00873	17.9
87.19520	3.4
91.31085	2.9
96.59518	3.1
96.99332	26.9
108.32031	3.4
112.98830	35.1
115.00365	5.5
124.97946	4.4
124.98814	62.3
140.98303	10.4
142.99866	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	134.0375
Annotation	Unknow
Peak:m/z	Relative Intensity
56.67847	2.6
60.70247	2.6
72.99307	2.8
75.00868	14.0
77.10245	2.5
84.15140	2.7
98.20718	4.9
106.04240	12.5
107.03633	10.8
107.05045	5.9
134.03741	100.0
134.04724	26.4
134.86537	6.4
134.89481	9.7
135.04576	33.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	138.0198
Annotation	4-Nitrophenol
Peak:m/z	Relative Intensity
55.01876	0.7
66.03491	0.4
67.01887	0.6
68.99798	0.6
69.18587	4.5
70.34335	0.4
70.60307	0.4
77.29832	0.4
79.75977	0.4
83.01383	0.7
93.03484	0.8
94.02983	0.6
94.03815	1.6
95.01418	0.5
108.02175	78.0
109.02506	4.4
111.00877	2.8
138.01970	100.0
139.00389	1.4
139.02328	4.8
139.04001	1.1
143.61006	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	138.0562
Annotation	5-(Methoxymethyl)-1H-pyrrole-2-carbaldehyde
Peak:m/z	Relative Intensity
67.01898	2.2
69.03446	1.6
71.53545	1.7
76.98763	1.1
79.95740	5.3
83.01412	2.1
93.03467	2.6
94.02992	15.9
94.03774	5.3
94.98092	4.6
95.01400	1.4
95.05025	4.9
96.04566	1.8
97.02943	1.4
97.31477	1.2
102.02856	0.9
108.02194	1.5
111.00897	6.4
111.22250	1.0
117.26089	0.9
120.04508	2.1
122.03712	3.0
123.03270	100.0
123.62332	1.1
124.01688	1.7
124.03597	4.4
137.89175	8.7
138.01932	3.2
138.02838	2.6
138.05608	58.9
138.89032	2.0
139.00352	2.3
139.03984	3.9
139.05956	3.7
139.61011	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	141.0195
Annotation	4-Hydroxymuconic semialdehyde
Peak:m/z	Relative Intensity
53.98461	4.7
55.01885	26.1
55.64453	4.2
57.03440	13.7
58.02966	5.8
59.01364	6.5
67.01909	23.0
68.99812	37.1
69.03455	48.4
69.96888	4.2
71.01376	17.1
71.53967	4.9
79.01869	8.4
83.01391	57.9
85.02958	67.5
86.00101	13.3
95.01390	76.4
97.02952	21.1
99.00878	20.0
100.04043	28.7
101.00222	5.3
107.66623	4.5
111.00882	56.5
112.98793	5.5
113.02464	38.2
123.00905	43.3
125.99599	5.3
127.12247	4.5
139.00386	10.7
141.01950	100.0
142.02254	5.6
142.05052	7.3
154.57700	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	133.0507
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15337	1.2
53.51214	1.1
59.01372	3.7
59.36844	1.1
70.18549	1.0
71.01382	100.0
71.53632	1.8
71.54005	1.0
72.01713	2.2
72.99323	5.5
84.10346	1.1
87.00876	42.3
87.04514	9.3
88.01209	1.1
89.02445	7.4
92.02562	3.3
107.03645	10.7
115.00382	13.1
116.00696	1.6
123.37695	1.1
127.26797	1.0
133.01392	2.2
133.05077	45.2
134.04710	26.6
134.05592	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	133.0508
Annotation	1-Deoxy-D-xylulose
Peak:m/z	Relative Intensity
59.01377	4.0
71.01382	100.0
71.15910	2.1
72.01732	1.8
72.99306	7.7
76.36893	1.2
87.00878	37.1
87.04519	7.7
89.02454	7.8
104.59127	1.3
107.03635	10.5
115.00373	28.2
116.00719	1.5
126.46009	1.2
133.01453	7.3
133.05078	39.0
134.04692	19.5
141.49739	1.6
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
57.03448	2.1
59.01370	2.7
62.32706	1.0
69.75786	4.2
71.01383	100.0
72.01723	2.8
72.99313	4.6
87.00877	42.5
87.04512	10.2
89.02433	10.1
93.56001	0.8
98.20604	1.4
107.03666	2.0
112.03210	1.1
115.00377	18.1
133.01447	2.9
133.05074	41.6
134.04678	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	133.0507
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	1.4
59.01385	3.9
59.98523	0.7
71.01382	100.0
71.07835	1.3
72.01720	2.9
72.99306	10.9
77.07545	0.5
87.00874	26.6
87.04523	6.1
88.01172	0.6
89.02448	7.3
93.18076	0.5
101.07494	0.5
115.00376	46.5
116.00701	1.4
133.01437	9.1
133.05069	30.9
137.88092	0.5
152.36662	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0507
Annotation	1-Deoxy-D-xylulose
Peak:m/z	Relative Intensity
52.10789	0.5
55.23092	0.7
57.03440	2.6
58.04172	0.6
59.01374	3.6
70.81723	1.1
70.82082	0.9
70.82811	0.6
71.01381	100.0
72.01738	3.3
72.99310	9.9
87.00881	29.3
87.04507	7.0
89.02450	7.3
106.83280	0.6
114.97356	0.6
115.00375	42.5
116.00686	1.5
127.80186	0.7
133.01437	9.3
133.05067	29.1
134.05423	0.7
152.84334	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	130.0874
Annotation	L-Leucine
Peak:m/z	Relative Intensity
57.03448	2.2
57.06622	1.1
69.75401	5.4
72.22447	1.1
73.01176	1.2
73.02958	2.9
74.36626	1.2
75.73183	1.2
82.06598	1.2
84.08205	1.4
85.02948	4.0
87.04511	7.8
105.69954	1.1
112.37490	1.1
113.02431	1.4
130.08737	100.0
131.01826	1.1
131.03525	2.6
131.09067	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	130.0874
Annotation	L-Leucine
Peak:m/z	Relative Intensity
51.24882	1.8
57.03430	5.7
59.01368	3.6
66.75411	1.6
68.99828	4.8
71.01383	2.8
71.54865	1.8
73.02946	6.2
75.00842	2.1
85.02947	23.6
85.06575	3.0
87.04512	11.9
113.02414	2.0
130.06639	3.6
130.08737	100.0
131.03496	7.4
131.09039	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	130.0874
Annotation	L-Leucine
Peak:m/z	Relative Intensity
52.06555	2.2
53.07380	2.4
56.05777	2.0
57.03443	5.1
68.99838	3.0
69.53643	6.1
69.54053	9.2
71.01392	3.4
73.02943	4.6
85.02960	22.1
87.04555	7.0
91.81306	2.3
130.06639	3.9
130.08739	100.0
131.03503	6.1
131.09116	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	131.0714
Annotation	2-Ethyl-2-Hydroxybutyric acid
Peak:m/z	Relative Intensity
51.70896	0.7
65.43957	0.9
69.03432	0.9
69.19603	9.4
69.19939	1.9
73.02950	0.9
77.89248	0.8
83.05016	1.5
85.02945	2.8
85.06586	100.0
86.06918	5.3
87.04527	0.9
97.00764	0.8
113.06045	1.2
122.39779	0.8
129.05573	1.1
131.03503	1.0
131.07140	38.2
132.07518	2.1
134.57590	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0144
Annotation	(R)-Malate
Peak:m/z	Relative Intensity
57.03443	1.1
59.01366	3.7
71.01381	100.0
71.06966	1.1
72.01723	2.7
72.99307	10.1
72.99695	0.9
87.00876	29.8
87.04514	6.7
88.01230	0.9
89.02438	8.2
115.00372	60.4
116.00714	1.8
128.04750	0.5
133.01434	11.5
133.05067	28.3
134.05490	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0503
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	1.4
59.48142	0.8
69.18958	7.6
86.18600	0.9
90.06300	1.1
91.05505	1.9
93.03458	3.9
101.03989	4.1
117.03472	3.7
119.05030	100.0
120.05364	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	119.0503
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06364	1.3
59.01371	1.7
71.01394	1.9
71.54785	1.2
71.55188	1.6
72.99315	1.6
85.71762	1.2
91.05546	3.4
93.03471	1.5
101.03970	46.6
101.92459	3.4
102.04297	3.4
110.05939	1.2
110.47451	1.0
117.03466	28.9
118.03827	1.7
118.92672	5.0
118.93398	2.2
119.05029	100.0
120.05360	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	119.0503
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69846	1.4
59.01363	1.5
65.15201	1.7
69.79559	6.5
71.01359	2.2
84.84545	1.6
90.86733	1.4
91.05533	4.4
91.61567	1.6
93.03497	1.6
98.19991	2.9
101.03970	47.8
101.92414	2.2
102.04330	2.0
109.22958	1.4
117.03473	25.7
118.92698	5.2
119.05032	100.0
120.05368	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	121.029
Annotation	4-Hydroxybenzaldehyde
Peak:m/z	Relative Intensity
57.09153	4.2
94.02999	12.8
95.01419	5.0
95.18633	4.7
98.19852	8.4
115.77810	4.0
121.02953	100.0
122.02475	11.1
122.03281	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	121.0296
Annotation	4-Hydroxybenzaldehyde
Peak:m/z	Relative Intensity
66.03499	1.5
69.37704	11.5
69.38099	3.2
80.74691	1.4
91.01896	1.7
93.03449	12.2
94.02986	8.4
108.02184	3.6
115.37396	1.3
121.02952	100.0
122.02451	5.2
122.03300	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	129.0195
Annotation	Acetylpyruvate
Peak:m/z	Relative Intensity
55.01878	21.7
57.03447	40.6
58.02958	9.1
59.01371	9.3
67.01892	100.0
68.99809	23.7
70.86429	14.0
71.01387	25.3
72.99318	39.9
73.02948	17.0
81.52968	5.1
83.01385	20.0
85.02943	35.0
87.00878	20.2
88.04025	13.9
92.23788	4.9
99.00871	12.3
111.00872	13.6
111.07678	5.5
128.89194	6.4
129.01930	41.4
129.05533	6.9
130.08740	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	129.0195
Annotation	Acetylpyruvate
Peak:m/z	Relative Intensity
55.01880	30.1
57.03456	42.5
58.02969	9.5
59.01376	8.2
67.01890	100.0
68.99826	22.7
69.03454	9.7
69.27292	13.1
69.27702	31.2
71.01377	30.3
72.99316	25.3
73.02953	17.3
83.01386	18.5
83.05020	10.7
85.01183	5.3
85.02956	40.6
85.06574	16.6
87.00867	7.7
88.04041	13.7
97.02524	4.0
97.02966	41.4
98.19854	9.2
99.00863	8.1
101.02443	8.6
111.00898	7.9
111.58351	5.7
112.90690	5.3
128.90150	10.8
129.01935	47.1
129.05544	6.9
130.08749	7.4
134.55951	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	119.0503
Annotation	Phenylacetaldehyde
Peak:m/z	Relative Intensity
52.53936	0.5
58.31269	0.5
64.34143	0.6
66.94285	0.5
69.82060	2.7
91.05527	1.0
93.03473	5.4
101.03999	1.7
116.59776	0.5
117.03469	2.0
119.05029	100.0
120.05360	6.7
123.02395	0.5
123.54078	0.6
135.41016	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0503
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14793	0.8
51.02822	0.9
55.90858	0.8
59.01371	1.6
69.51886	5.7
71.01378	2.3
91.05525	2.1
93.03452	4.2
101.03966	8.3
101.92427	2.1
117.03448	5.8
118.92684	3.8
119.05022	100.0
120.05346	7.0
133.42839	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1179.4349
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01388	35.5
85.02949	11.3
87.00883	3.0
89.02439	10.2
95.01397	4.5
97.02955	1.9
98.20768	0.8
99.00871	1.2
99.04528	0.8
101.02444	100.0
102.02834	1.2
105.25656	0.5
113.02453	42.4
119.03508	12.3
125.02460	4.9
131.03503	12.5
131.08670	2.7
143.03500	16.2
147.02966	1.8
147.04456	0.6
147.08165	2.7
149.04553	32.0
155.03487	3.3
159.04533	4.8
161.04559	53.2
162.04900	1.1
175.02556	0.7
175.07645	39.0
176.07941	1.3
181.38091	0.5
189.79320	0.5
203.05609	7.7
216.34062	0.5
221.06662	26.4
222.06882	1.1
233.11833	6.8
255.02815	1.0
265.14325	1.2
270.05243	0.8
285.07690	2.0
293.13947	80.5
294.14346	4.9
295.09677	1.9
295.16339	0.5
296.09790	0.6
300.02863	0.8
300.10025	1.0
311.09280	1.4
331.11887	1.4
419.96713	0.5
522.97870	0.6
1135.41907	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1127.3089
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01373	0.4
85.02951	2.7
86.00189	0.2
87.00878	0.9
93.03445	0.2
95.01392	1.1
99.00893	1.1
103.00348	0.3
107.01395	0.8
108.02229	0.3
109.02991	0.5
113.02448	2.5
115.00357	0.2
117.01890	0.4
121.02951	10.3
122.03325	0.3
125.02448	1.0
129.01962	0.3
133.02982	0.5
139.03912	0.3
150.03194	0.2
151.00377	3.2
151.04022	0.2
157.01457	0.2
161.02495	0.2
171.04523	0.8
175.02492	0.3
175.03978	0.5
178.99858	0.6
183.04463	0.4
187.04034	0.7
199.04001	2.4
201.01970	0.7
201.47723	0.2
203.03542	0.4
213.01994	0.3
215.03442	1.0
219.03381	0.2
226.02722	0.6
227.03429	2.2
229.05017	0.3
231.05128	0.3
243.02986	3.5
249.06125	2.7
254.02272	0.3
255.03021	2.4
271.02460	47.4
272.02829	2.5
273.03967	0.3
282.01776	0.3
283.02426	0.7
284.03363	0.6
285.03888	0.9
289.07278	0.4
299.01953	92.0
300.02606	16.6
301.03488	7.8
302.03955	0.4
352.09494	0.2
371.09799	23.1
372.10138	1.3
392.47690	0.2
407.07813	0.6
425.08792	0.7
445.07907	0.3
446.08514	33.3
447.09039	3.9
467.46716	0.2
489.09805	0.2
517.59912	0.2
577.13483	0.8
590.02502	0.2
593.15198	0.7
609.14667	4.4
610.14679	0.3
755.20355	100.0
756.20721	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	115.0038
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	3.5
59.01382	2.8
62.46888	1.8
65.06314	1.5
68.99613	1.8
70.12073	7.0
71.01383	100.0
71.05022	6.1
72.01716	2.8
73.02946	7.1
87.00862	4.3
97.93166	2.2
114.93400	4.3
115.00383	6.3
116.07155	9.1
116.88693	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	115.0037
Annotation	Maleic acid
Peak:m/z	Relative Intensity
53.55128	1.2
54.03344	1.1
57.03445	2.1
59.01364	5.4
62.16463	1.3
63.84820	1.2
70.19695	5.3
71.01382	100.0
71.05009	1.2
72.01716	3.3
73.02927	4.2
87.00869	4.3
96.99279	2.0
115.00372	4.2
115.03999	1.5
116.07164	1.5
124.03188	1.2
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
55.01878	1.0
59.01374	1.0
67.26952	0.4
70.86338	0.8
71.01396	0.5
71.05007	0.4
73.02948	100.0
74.03292	3.1
99.00882	7.9
116.92873	1.3
117.01939	11.5
118.02314	0.6
122.02354	0.4
136.35196	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	111.0089
Annotation	3-FUROIC ACID
Peak:m/z	Relative Intensity
55.01879	45.1
56.02203	2.6
64.88714	1.7
67.01894	38.1
70.11355	6.3
71.01373	9.3
75.51343	1.7
78.95902	87.7
83.01387	100.0
83.05035	4.4
84.01730	4.2
110.97627	2.8
111.00881	65.6
111.04521	3.6
112.01168	3.1
112.04024	6.0
117.53294	1.9
117.99959	1.8
127.66118	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	1123.4894
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95905	62.6
82.67641	0.7
96.96964	5.2
115.22262	0.8
128.95058	0.8
152.99585	67.9
171.00639	20.7
227.03276	3.6
245.04301	87.6
246.04707	1.3
253.21727	44.8
254.22119	2.7
302.00583	1.0
311.22803	0.8
402.24811	0.8
481.25711	100.0
482.26059	7.5
598.79639	0.9
795.21906	1.7
1123.49084	21.8
1124.48071	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	1127.3096
Annotation	Unknow
Peak:m/z	Relative Intensity
78.02676	0.2
81.03437	0.2
83.01389	0.7
85.02950	1.9
85.94276	0.2
87.00882	0.8
89.02425	0.5
91.74995	0.2
93.03476	0.8
95.01403	0.7
98.19926	0.4
99.00890	1.2
107.01385	1.8
109.02968	0.7
111.79967	0.2
113.02451	2.2
115.00316	0.3
117.01920	0.6
117.03469	0.3
121.02951	9.5
123.04517	0.2
125.02441	0.3
133.03008	0.3
135.00909	0.5
143.04979	0.2
151.00363	7.1
153.01962	0.2
154.04265	0.2
155.05035	0.3
159.04489	0.7
161.02510	0.3
163.00362	1.1
164.01169	0.3
165.01912	0.4
167.05051	0.3
169.01508	0.3
169.06578	0.3
171.04495	0.4
173.02498	0.3
175.04013	0.4
178.99866	1.6
183.04500	0.9
185.02388	0.2
185.06075	0.8
187.03992	0.9
190.99814	0.3
199.04025	1.4
201.01991	0.4
201.05591	0.3
211.04021	1.3
213.01923	0.3
213.05571	0.6
214.02724	0.3
215.03471	0.6
226.02689	0.3
227.03485	9.9
228.03946	0.6
229.05052	2.0
231.05098	0.7
237.62073	0.2
239.03416	0.6
241.05122	0.3
242.02081	0.4
243.02933	3.2
249.06151	6.2
254.02161	0.5
255.02971	25.8
256.03613	2.1
257.04517	1.6
270.01611	0.3
271.02463	33.5
272.02856	1.8
273.04102	0.5
282.01776	0.3
283.02469	13.3
284.03241	26.4
285.04013	21.7
285.08609	0.3
286.04382	1.0
299.01956	48.6
300.02686	21.1
301.03497	25.2
302.03860	1.4
313.03519	1.3
314.04272	1.6
315.04987	0.6
327.05115	1.2
343.04541	0.5
357.05899	0.3
371.09793	16.0
372.10095	0.8
430.09000	2.0
431.09769	0.5
446.08517	16.9
447.09216	7.6
448.09454	0.6
463.08838	0.4
593.15106	15.9
594.15759	1.1
609.14581	54.0
610.14856	4.8
640.19434	0.2
755.20361	100.0
756.20667	11.4
808.04785	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1096.6194
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95911	11.6
102.10284	1.3
125.02503	1.7
152.99564	7.2
168.04370	1.9
215.51610	1.4
277.21735	58.0
278.22055	41.0
279.22299	9.6
280.22427	2.9
431.21719	3.2
502.29355	46.8
503.29715	31.1
504.29913	21.1
505.30466	9.9
579.30481	100.0
580.30847	9.5
635.47040	1.7
703.43713	1.6
1113.76111	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1097.678
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95908	5.8
78.98576	0.3
79.95741	0.7
80.96517	3.0
84.77653	0.1
87.00844	0.1
94.21470	0.1
94.98071	0.8
106.98083	0.1
122.97586	0.2
134.97585	0.2
137.34013	0.2
137.45477	0.1
148.99115	0.3
152.98560	0.2
152.99620	1.2
164.98621	0.4
168.04346	1.3
174.18980	0.2
224.06825	0.8
225.00726	1.3
242.07965	2.6
261.22214	0.4
277.21735	0.2
279.23276	100.0
280.23615	5.2
280.26678	0.2
299.04489	0.3
390.45795	0.1
504.30960	73.2
505.31305	5.8
519.27545	0.6
530.43152	0.1
577.19348	0.2
577.26892	4.5
578.27155	4.4
578.34894	2.0
579.27203	0.6
579.35284	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1100.6527
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95905	13.5
86.27935	1.8
87.00862	1.8
98.20004	2.8
129.48265	1.9
131.62622	1.8
134.02682	1.7
142.43706	1.8
150.22910	1.8
152.99570	6.8
156.25964	1.6
168.04398	1.9
213.97058	2.3
242.08029	2.5
279.23297	69.7
280.23639	37.2
281.23907	14.2
282.24008	2.7
433.23355	3.7
504.30972	45.9
505.31317	27.9
506.31573	16.7
507.31766	8.2
542.08545	2.4
580.27313	3.1
581.32172	100.0
582.32300	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	1104.4945
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95914	2.0
86.05595	0.3
88.79199	0.3
98.20010	0.5
117.94384	0.3
132.85568	0.3
138.70738	0.3
262.18582	0.3
279.23318	6.6
438.13547	0.5
451.14063	0.8
452.14938	1.8
465.15704	0.4
466.16464	0.5
476.27698	1.9
479.17517	0.5
480.14465	0.9
481.15097	5.6
482.15414	1.0
484.13782	0.7
490.17587	0.4
493.15179	1.3
494.15952	0.7
495.16769	11.6
496.17178	1.6
507.16638	0.3
508.17249	1.1
509.17957	0.7
512.13422	1.3
518.15979	0.4
521.14575	0.8
522.15448	0.4
523.15277	0.6
526.14771	0.9
533.18604	0.8
535.16187	1.8
536.17017	2.8
537.17145	0.5
539.15363	0.6
540.16650	3.1
544.15735	0.4
551.19385	37.0
552.19751	5.9
553.16815	0.7
554.17859	1.4
555.18774	0.7
567.19324	0.5
568.15247	0.7
572.15625	3.9
583.22095	0.4
586.17102	3.4
587.16760	0.6
595.18530	1.5
596.18683	0.5
600.18610	0.4
627.20953	100.0
628.21191	16.6
651.77429	0.3
681.32349	0.4
875.90906	0.4
1104.49097	2.5
1105.49646	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1087.468
Annotation	Unknow
Peak:m/z	Relative Intensity
75.60061	0.2
78.95904	11.2
94.81873	0.3
98.19891	0.6
104.97481	0.3
105.99635	0.3
110.98534	5.2
143.51472	0.3
148.75969	0.3
152.99609	0.8
167.01102	2.1
181.86607	0.3
185.02193	4.5
193.60136	0.3
217.20033	0.3
223.16914	0.3
233.22725	0.4
255.04605	0.3
259.20657	0.6
275.20129	0.9
277.21704	100.0
278.22058	5.1
445.23599	29.8
445.28326	0.4
446.23846	2.1
481.14841	0.5
495.16901	0.3
555.18823	0.3
641.22382	0.6
788.50122	0.3
809.24695	1.1
919.45239	2.8
920.45349	0.6
1087.46765	25.8
1088.47095	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	1092.6586
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95902	6.1
80.40412	0.7
87.24522	0.6
90.34251	0.6
101.06311	0.6
105.77627	0.7
131.91185	0.7
152.99588	2.1
168.04262	1.3
224.06866	1.3
242.08025	2.1
253.09375	0.9
277.21750	5.1
279.23285	100.0
280.23648	5.5
291.36469	0.8
504.30969	85.9
505.31433	4.4
531.56659	0.8
562.54517	0.7
578.34497	2.3
616.60028	1.0
673.27905	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1093.6472
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95904	7.8
83.05022	0.2
127.07656	0.2
152.67743	0.1
152.99568	1.5
168.04291	2.0
205.19376	0.1
224.06937	1.1
229.16971	0.1
233.22733	0.7
238.79881	0.1
242.07980	2.9
259.20682	0.3
275.20172	0.4
277.21704	100.0
278.22049	5.5
305.57367	0.1
440.96619	0.1
497.34109	0.1
502.29388	93.8
503.29752	7.0
517.25739	0.7
518.25970	0.1
576.33087	3.4
577.33868	0.3
728.95563	0.2
925.68103	0.1
1130.75330	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1071.3558
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01377	0.5
101.02453	0.2
107.01388	1.2
108.02171	1.0
109.02966	0.2
109.35330	0.1
114.13570	0.1
121.02940	0.6
124.01714	0.2
135.00893	0.4
148.00531	0.2
148.01643	0.9
151.00354	3.9
152.00993	0.1
163.00374	0.6
163.03922	0.2
164.01146	0.3
169.01376	0.2
173.84702	0.1
178.99876	2.5
187.03954	0.4
188.04854	0.2
192.00639	0.3
197.02414	0.2
199.03976	0.6
201.01833	0.2
211.04025	0.3
215.03542	0.6
216.04169	0.3
226.02676	1.2
227.03493	2.0
229.05104	0.2
243.02969	7.2
244.03514	0.6
245.04285	0.2
254.02248	1.5
255.02966	19.1
256.03296	1.1
271.02460	45.2
272.02924	3.5
272.47787	0.1
273.03445	0.5
275.62784	0.2
283.02353	0.2
299.01923	1.9
300.02731	88.9
301.03308	10.2
302.03470	1.0
303.03580	0.3
325.03528	0.2
407.12866	0.2
445.07788	0.3
463.08801	0.2
514.63306	0.1
595.12994	100.0
596.13354	10.5
596.23126	0.3
597.13599	1.4
598.13916	0.7
599.14166	0.5
778.77618	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1083.2819
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01369	0.2
85.02908	0.1
87.00868	0.2
96.96020	0.2
101.02468	0.2
103.31909	0.1
107.01388	0.6
108.02197	0.2
109.02947	0.3
113.02423	0.2
121.02928	0.8
125.02416	0.2
131.29596	0.2
133.02962	0.4
135.00836	0.2
143.05107	0.2
147.00908	0.2
151.00365	2.8
163.00356	0.3
171.04472	0.3
175.03981	0.3
178.99850	0.9
183.04457	0.2
187.04062	0.2
199.04005	1.9
201.01909	0.5
203.03593	0.3
211.03851	0.3
213.01820	0.2
215.03529	0.9
226.02763	0.3
227.03470	1.8
229.01292	0.2
229.05038	0.3
240.81706	0.2
242.02185	0.2
243.02960	2.7
249.06161	0.4
254.02168	0.4
255.02986	1.8
271.02457	40.3
272.02829	2.0
273.03952	0.3
275.20593	0.1
282.01599	0.2
283.02319	0.2
298.01233	0.2
299.01953	78.7
300.02631	14.2
301.03503	9.0
302.03937	0.4
371.09735	0.8
415.06241	0.3
445.07758	0.2
446.08508	31.9
447.08975	3.3
528.41431	0.2
565.11902	6.9
566.12268	0.6
609.14594	0.4
711.17743	100.0
712.18066	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	1067.3597
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01397	1.3
85.02953	2.7
87.00880	0.4
89.02433	1.6
93.03443	1.6
95.01389	1.0
95.05024	0.5
97.02950	0.8
99.00874	0.8
101.02449	2.4
107.01390	1.1
108.02220	0.4
109.06584	0.6
113.02444	3.4
119.03569	0.4
119.05029	5.5
131.05025	1.2
132.02176	0.5
132.05786	1.2
135.00861	0.6
137.09717	0.4
138.06865	5.7
145.02991	0.3
147.04521	2.6
149.04514	0.3
151.00366	1.6
153.09210	16.0
154.09608	0.5
161.04564	2.1
163.00380	1.2
163.04042	2.8
178.99863	0.9
183.04469	0.8
185.06067	1.0
187.04025	0.6
195.08142	15.9
196.08414	0.5
199.03896	0.4
207.13849	1.9
211.04041	1.1
213.05510	0.4
213.97284	0.4
221.09706	1.3
223.11275	4.9
223.13350	0.6
225.14954	22.7
226.15298	0.8
227.03490	30.0
228.03891	1.8
229.05052	2.3
237.09166	0.4
239.03419	0.6
255.02982	54.5
256.03500	5.4
257.04587	2.2
267.10294	1.5
283.02509	2.4
284.03253	76.6
285.03955	21.1
286.04312	1.5
327.05289	0.4
328.05878	0.3
369.19183	22.4
370.19562	1.0
387.20200	5.7
388.20267	0.5
419.69025	0.4
429.21289	39.1
430.21509	3.6
431.09735	1.5
447.09351	0.6
473.14517	23.2
474.14978	2.5
593.15094	100.0
594.15515	8.6
595.15826	0.8
609.10205	0.4
717.48627	0.4
923.69702	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1069.3769
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01385	1.2
84.18236	0.3
85.02960	4.1
89.02451	1.7
93.03487	0.5
95.01379	1.2
97.02969	0.5
98.03731	0.6
99.00855	0.6
101.02433	4.8
102.98598	0.5
107.01376	0.7
112.02812	0.4
113.02457	4.2
117.03484	0.9
119.05014	0.6
122.03721	0.5
125.02386	0.5
139.07646	2.4
150.03203	0.6
151.00378	2.2
153.09221	0.9
154.04208	0.5
155.10776	7.8
156.11063	0.6
159.03134	0.4
159.04530	0.7
161.04565	2.9
163.03812	0.4
165.05580	0.5
169.06586	1.0
171.04408	0.5
179.05623	0.6
183.04475	1.7
185.06087	0.9
187.04042	1.1
189.05568	0.8
195.06534	0.4
203.05659	0.4
211.03990	1.3
213.05617	1.5
214.02646	0.4
215.03558	0.6
227.03477	7.7
227.16525	13.6
229.05043	0.8
239.03668	0.6
241.05069	0.7
255.02983	37.7
256.03372	2.7
257.04504	1.3
271.02496	0.5
271.09616	0.5
283.02475	75.0
284.03168	18.7
285.04037	34.8
286.04398	1.8
299.01968	0.9
301.03455	0.6
327.05032	1.0
327.08740	0.7
371.16458	0.6
371.20724	6.3
389.21780	8.0
390.22025	0.7
430.02969	0.6
430.09024	21.8
431.10071	4.1
431.22839	39.0
432.23004	2.4
447.09302	36.5
448.09561	2.2
451.81256	0.4
579.13452	1.2
593.15112	100.0
594.15466	9.6
595.14856	0.5
827.89728	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1067.3242
Annotation	Unknow
Peak:m/z	Relative Intensity
80.44913	0.2
82.14565	0.1
83.01390	0.5
85.02942	0.3
91.01852	0.2
92.84322	0.1
101.02441	0.4
107.01380	1.2
108.02148	0.8
109.02991	0.2
113.02447	0.5
119.01356	0.2
119.04974	0.1
121.02943	0.5
125.02437	0.2
135.00874	0.4
136.05394	0.2
138.06880	0.3
139.07664	0.2
147.04489	0.2
148.01663	0.6
151.00362	4.1
151.07672	0.4
152.01140	0.2
152.08418	0.7
153.09201	1.4
159.04611	0.2
161.04599	0.2
163.00339	0.8
163.04022	0.2
164.01065	0.3
178.99838	2.6
187.03975	0.3
192.00624	0.3
198.03174	0.3
199.03970	0.6
201.01768	0.2
205.12309	0.8
211.03958	0.4
215.03510	0.5
216.04356	0.2
223.13353	0.3
226.02687	1.0
227.03526	1.6
229.01486	0.2
243.02969	7.7
244.03516	0.5
245.04514	0.3
254.02196	1.8
255.02966	19.0
256.03339	0.7
271.02454	45.6
272.02893	2.9
273.04034	0.3
283.02380	0.3
285.04150	0.2
299.02039	1.7
300.02725	87.5
301.03339	9.4
302.03714	0.4
343.04587	0.2
367.17551	3.1
385.11215	0.2
385.18451	0.2
411.76099	0.2
427.19656	2.3
433.07645	0.3
564.64642	0.1
593.15259	0.3
595.12982	100.0
596.13330	8.4
596.22876	0.4
634.69415	0.2
697.39423	0.2
838.93640	0.2
851.64929	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	1049.6786
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95902	16.8
87.92436	0.1
89.49979	0.1
96.96953	0.3
122.98563	0.4
134.98541	0.2
152.99583	2.6
168.04312	2.8
211.91930	0.1
224.06912	8.3
237.22200	0.1
242.07954	1.8
255.23280	100.0
256.23621	5.3
256.26340	0.2
291.64526	0.1
332.80856	0.1
339.94547	0.1
340.64258	0.1
391.23102	0.2
409.23157	0.1
480.30914	96.4
481.31274	7.5
495.27243	0.7
554.34601	3.4
555.34918	0.3
1049.54797	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	1052.6519
Annotation	Unknow
Peak:m/z	Relative Intensity
74.39921	1.2
76.44529	1.5
78.95905	14.9
152.99551	5.6
168.04321	1.6
173.53050	1.3
224.06879	6.0
242.08231	1.6
255.23268	51.8
256.23605	29.6
257.23956	10.6
258.24109	2.2
402.96783	1.3
409.23376	1.6
480.30917	47.4
481.31348	30.3
482.31516	23.7
483.31775	8.9
554.34583	1.7
557.32037	100.0
558.32111	6.7
594.94019	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	1057.2462
Annotation	Unknow
Peak:m/z	Relative Intensity
77.79144	0.2
83.01406	0.5
93.03458	0.5
98.19840	0.5
107.01394	2.0
108.02183	0.9
109.02955	0.9
119.01402	0.3
121.02950	1.5
135.00916	0.5
148.01686	0.7
148.73013	0.3
149.02422	0.6
150.03172	0.3
150.99176	0.5
151.00372	8.2
153.02002	0.3
158.94501	0.3
163.00369	1.6
164.01204	0.5
164.84227	0.2
165.01979	0.4
165.05566	0.3
169.01395	0.6
175.04010	0.3
178.99863	4.2
183.04555	0.4
187.03955	0.4
192.00424	0.3
193.05049	0.4
198.03113	0.3
199.03967	0.6
201.02007	0.3
203.03526	0.4
211.03925	1.2
226.02649	0.7
227.03479	5.2
228.04073	0.5
229.05038	0.6
243.02989	7.1
244.03491	0.4
245.04570	0.6
251.45883	0.2
254.02238	1.5
255.02988	23.0
256.03400	1.6
271.02469	40.7
272.02917	3.0
273.04034	0.5
283.02429	1.0
284.03278	7.8
285.03891	2.0
299.02048	1.4
300.02750	82.4
301.03473	31.8
302.03967	1.7
343.04550	0.3
463.08813	100.0
464.09113	7.3
472.27664	0.3
523.04895	0.2
565.12073	0.4
579.13751	0.3
580.14075	0.5
593.15137	9.7
593.24799	0.5
594.15509	1.0
736.10333	0.3
781.85083	0.3
807.96112	0.2
917.21454	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1043.2308
Annotation	Unknow
Peak:m/z	Relative Intensity
78.48119	0.2
83.01385	0.8
93.03443	0.2
107.01395	1.9
108.02181	0.8
109.02953	1.2
114.40259	0.2
119.11496	0.2
121.02975	1.3
125.02441	0.6
134.03668	0.4
135.00888	0.7
148.01695	1.1
148.02750	0.2
149.02429	0.4
150.03200	0.2
151.00365	8.0
151.01576	0.5
153.01918	0.3
163.00374	1.9
164.01120	0.7
169.01482	0.3
178.99844	3.9
183.04559	0.5
187.03978	0.3
193.05127	0.3
195.08179	0.2
199.04022	0.4
201.05547	0.4
211.04036	0.7
215.03535	0.4
216.04269	0.5
226.02733	1.2
227.03490	4.7
228.04030	0.4
229.01166	0.3
229.05038	0.7
241.43040	0.2
243.02995	7.5
244.03566	0.4
245.04514	0.8
254.02234	1.6
255.02972	22.1
256.03375	1.5
262.01236	0.3
271.02463	41.7
272.02887	3.0
273.03915	0.9
283.02435	1.1
284.03253	5.9
285.03937	2.0
299.01895	1.2
300.02734	82.8
301.03458	31.8
302.03830	1.7
343.04413	0.3
463.08795	100.0
464.02942	0.5
464.09149	6.7
519.01740	0.3
521.20160	0.3
565.11450	1.3
566.12061	1.4
567.12604	0.9
579.13470	7.2
580.13770	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1041.2512
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01381	0.5
85.60782	0.3
86.01151	0.3
93.03442	0.3
98.19921	0.3
102.98589	1.0
107.01397	1.7
108.02195	0.6
109.02936	0.5
121.02968	1.5
122.03770	0.3
128.88333	0.3
135.00876	0.6
148.01675	1.0
149.02501	0.3
149.51199	0.2
151.00372	8.8
163.00385	1.7
163.06061	0.2
164.01146	0.7
169.01587	0.3
178.99864	3.9
183.04533	0.5
191.25208	0.3
199.03928	0.6
201.05409	0.3
211.04036	0.8
215.03583	0.6
216.03964	0.3
226.02715	1.1
227.03470	2.4
228.04195	0.3
229.04913	0.5
239.03676	0.3
243.02979	7.5
244.03445	0.5
245.04480	0.8
254.02226	1.7
254.75287	0.3
255.02974	18.7
256.03455	1.2
271.02466	38.9
272.02972	3.3
273.04105	0.8
283.02454	1.9
284.03461	0.5
285.04028	1.5
299.01990	1.0
300.02744	73.2
301.03488	34.1
302.03940	1.4
431.09863	0.4
463.08810	100.0
464.09125	7.7
565.11908	0.9
577.15448	2.0
731.60022	0.3
949.02148	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1030.5161
Annotation	Unknow
Peak:m/z	Relative Intensity
71.54998	0.7
74.02473	9.9
82.02990	1.1
86.02491	3.5
86.99097	0.9
87.05640	1.8
90.00201	0.7
92.79308	0.5
97.04049	1.2
99.05649	7.0
101.07184	0.9
102.05608	2.1
109.04075	1.2
110.50185	0.6
111.05636	0.9
112.04066	0.8
116.92838	1.3
123.05612	1.0
123.12273	0.6
124.04098	0.6
125.03529	0.8
127.05133	2.2
127.72100	0.7
128.03543	26.0
129.99689	0.6
135.05632	2.1
137.07201	0.9
141.06706	1.8
143.04625	28.1
145.06201	1.5
146.04585	2.6
153.06683	2.3
160.00769	8.5
166.09879	1.7
167.04643	2.7
167.08231	1.4
171.04048	0.8
177.03450	3.1
179.04608	8.2
185.05632	1.3
210.08862	7.3
216.89412	0.6
254.07851	9.2
269.21210	0.7
272.08881	16.0
288.06616	7.2
297.87955	0.7
306.07666	100.0
307.07971	3.5
487.19119	0.7
548.36530	0.6
1030.51233	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	1029.2152
Annotation	Unknow
Peak:m/z	Relative Intensity
71.41271	0.3
83.01394	0.3
84.12886	0.3
89.02469	0.3
94.85163	0.3
95.01305	0.3
97.91302	0.3
107.01397	0.8
108.02168	1.1
121.02942	0.6
135.00858	0.3
140.71802	0.3
148.01666	1.0
151.00371	4.1
158.89847	0.3
163.00354	0.8
164.01120	0.3
178.99835	2.1
179.81149	0.3
187.03973	0.6
199.03909	0.4
201.01872	0.3
211.03938	0.3
215.03380	0.3
216.04286	0.4
226.02754	0.9
227.03462	1.4
229.04967	0.3
243.02980	6.5
244.03600	0.6
254.02254	1.6
255.02986	19.0
256.03360	1.1
271.02466	38.5
272.02951	2.6
273.03864	0.3
283.02402	0.3
284.03204	0.4
285.03720	0.3
299.01807	1.4
300.02747	88.2
301.03372	11.5
302.03976	0.5
435.63544	0.4
463.08752	5.2
464.09085	0.5
565.11969	100.0
566.12280	8.7
566.21100	0.5
710.70428	0.3
1045.58899	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1029.2995
Annotation	Unknow
Peak:m/z	Relative Intensity
72.00906	0.6
72.04561	0.3
73.52206	0.1
74.02473	11.8
75.02785	0.2
78.06733	0.1
83.01383	0.4
93.03444	0.8
98.02473	2.8
102.87902	0.1
107.01384	0.3
109.03008	0.2
116.03551	2.1
116.05067	6.2
117.03457	0.2
123.00901	0.2
130.06638	0.6
133.03047	0.1
135.00934	0.2
142.06613	1.4
143.05038	0.4
145.02937	0.2
151.00359	0.4
153.01971	0.2
154.04228	1.2
155.05046	0.4
156.08142	0.1
157.06567	0.3
159.04538	0.5
159.09306	1.1
161.02425	0.1
163.00360	0.8
164.01216	0.2
165.01913	0.7
167.04976	0.2
168.05798	0.2
169.06595	3.3
171.04538	0.6
173.02440	0.7
173.06000	0.3
183.04518	0.3
183.09337	0.2
185.06064	2.4
186.05566	0.2
187.03995	1.4
189.05565	1.8
195.04553	0.5
196.05379	0.1
197.06030	0.3
198.03207	0.3
199.04008	0.4
201.05562	0.3
201.10217	0.7
203.08253	11.5
204.08612	0.4
211.03931	0.5
212.04729	0.3
213.05563	3.1
214.02740	1.2
215.03572	0.6
216.03613	0.2
217.04997	0.3
227.03490	4.1
228.03947	0.3
229.05057	2.6
239.03490	1.0
240.04141	0.2
241.05055	1.1
243.02946	1.7
245.09302	16.9
246.09663	0.8
255.02979	7.6
256.03641	0.8
257.04529	3.2
258.05051	0.2
267.02966	0.5
283.02466	4.7
284.00766	0.1
284.03256	3.9
285.04037	100.0
286.04398	5.5
327.05029	0.2
430.08914	1.0
431.09821	14.6
432.10107	0.8
538.11322	0.2
593.15088	10.2
594.15643	0.8
739.20911	71.0
740.21198	8.7
845.48834	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1030.5161
Annotation	Unknow
Peak:m/z	Relative Intensity
71.55194	0.6
72.00964	0.6
74.02468	8.9
81.04581	0.9
82.02988	1.2
84.04577	0.7
86.02488	3.2
86.06092	0.6
86.99094	1.1
87.05630	2.7
88.91967	0.5
97.04082	1.4
99.05652	8.7
101.07190	1.2
102.05584	1.1
104.66123	0.5
105.87638	0.5
107.06125	1.0
109.04073	1.8
112.04048	1.2
116.01767	1.4
123.05654	0.8
124.04072	0.6
125.03580	1.0
127.05131	1.8
128.03545	24.9
129.03879	0.8
133.04527	0.5
135.05644	2.1
135.60901	0.5
141.06674	1.6
143.04623	28.7
145.06210	1.5
146.04626	2.6
153.06665	2.1
160.00760	9.4
166.09877	0.9
167.04568	2.6
167.08276	1.5
177.03357	3.5
179.04617	7.1
181.06114	0.8
185.05682	0.7
192.07793	0.9
197.05722	0.8
210.08838	6.2
242.07803	1.1
254.07802	9.5
272.08896	15.4
288.06555	5.6
303.35577	0.6
306.07651	100.0
307.07983	4.0
890.84668	0.6
1030.51123	2.6
1048.59448	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1027.4756
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01381	1.6
83.01395	0.3
85.02953	0.5
87.00867	0.2
89.02464	0.3
93.03461	9.4
94.03823	0.4
96.99308	1.5
97.02972	0.2
97.23660	0.2
99.00895	0.2
101.02447	0.5
105.01898	0.2
109.02988	0.3
113.02444	0.6
115.00389	0.9
115.05551	1.3
117.03470	0.6
119.05028	6.5
121.02942	0.2
123.04533	0.5
130.04240	1.9
131.05040	2.3
132.05812	1.4
133.06151	0.2
134.03746	0.4
135.02979	0.3
135.04517	0.2
137.02385	0.2
143.05019	3.6
145.02914	0.3
145.06554	0.7
147.04533	2.3
151.00377	0.2
157.23456	0.2
158.03722	0.8
161.06129	0.2
163.02740	0.3
163.04005	3.3
165.01929	0.3
166.49669	0.2
171.04433	0.3
176.04742	0.6
185.00917	0.3
187.03999	0.4
193.06566	0.2
195.08150	17.2
196.08482	1.5
202.02663	0.6
203.15164	0.2
206.07310	0.8
207.08176	1.8
208.08510	0.3
211.07597	0.3
219.08141	2.9
220.08585	0.5
221.09709	26.0
222.10065	2.9
223.11279	15.2
223.14459	0.2
224.11642	1.6
231.08035	0.5
234.06831	0.8
237.09251	1.1
247.07672	0.6
248.08430	2.9
249.09189	14.8
250.09502	1.5
255.03065	0.3
267.10236	0.7
284.03348	0.3
285.03940	0.3
292.07458	1.9
293.08127	2.9
294.08582	0.2
311.09174	1.8
335.09061	0.2
391.27017	1.3
409.12900	0.2
429.21387	0.5
437.39990	0.2
447.09177	0.6
455.13226	0.9
456.13495	0.3
473.14502	100.0
474.14865	14.0
474.21918	0.4
475.15094	4.4
476.15366	0.3
553.32312	0.3
584.79150	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1025.6341
Annotation	Unknow
Peak:m/z	Relative Intensity
71.55388	0.3
73.83754	0.2
78.95905	15.2
125.45226	0.3
134.98499	0.3
152.99573	2.3
168.04314	2.5
224.06920	9.0
227.65971	0.3
242.07985	1.2
255.23285	100.0
256.23621	5.7
329.43146	0.3
480.30939	97.5
481.31317	7.5
529.30127	0.4
530.22101	0.5
530.30029	4.9
531.30341	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1019.304
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01378	0.3
72.99323	0.2
77.03964	0.2
79.64915	0.2
79.95734	0.2
85.02994	0.2
87.00891	0.5
90.73936	0.2
91.64352	0.2
93.03468	0.6
96.96015	0.8
98.20660	0.4
112.90295	0.2
116.62165	0.2
121.02959	100.0
121.68937	0.2
122.02501	0.3
122.03303	2.3
125.02434	0.3
137.02458	0.5
139.00386	0.2
147.04553	0.4
151.00331	0.5
152.01155	0.2
165.01863	0.2
166.02742	1.0
175.03992	0.4
181.05107	0.9
187.04099	0.2
205.05101	0.6
205.08727	0.2
220.07381	0.3
235.09752	0.3
239.44408	0.2
244.47159	0.2
247.66904	0.2
295.09674	1.0
296.09979	0.2
311.09311	0.4
341.10095	0.2
357.95007	0.2
371.11343	2.6
386.13773	2.0
401.16046	3.7
402.16559	0.2
459.15024	0.2
493.15070	0.6
508.17426	0.3
523.19727	72.1
524.20056	8.4
637.23529	0.2
667.23840	1.1
709.25330	0.5
723.98608	0.2
724.80066	0.2
727.26605	0.4
837.41162	0.2
966.27826	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1023.3356
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01365	6.5
71.55659	0.8
72.99312	1.8
73.02941	1.9
83.01382	1.8
85.02946	2.3
87.00878	1.4
89.02447	4.4
93.03470	4.1
95.01395	1.9
99.00892	1.3
99.04504	1.5
101.02451	4.6
109.02931	3.4
111.00873	0.8
113.02466	3.4
119.03464	2.4
119.05019	2.2
121.02948	4.7
122.03735	9.5
123.00891	1.2
123.04554	1.0
124.01633	0.8
125.02434	0.8
133.02957	1.6
134.03787	1.1
135.04497	1.1
136.01643	1.8
137.02454	11.6
138.06876	0.9
139.00380	1.0
143.03540	1.1
147.04532	1.8
148.01637	0.8
149.02446	18.6
149.06107	1.0
150.03224	61.2
151.00363	8.7
151.04012	4.3
152.01176	1.7
152.04778	2.2
153.01978	0.8
153.05525	1.4
153.09195	1.5
157.01439	0.7
159.04488	1.2
161.04547	1.7
162.03233	1.0
163.03944	1.8
164.01160	1.0
164.04799	4.5
165.01968	5.5
165.05569	64.5
166.02713	23.7
166.05896	2.1
167.03383	2.4
175.03955	1.6
177.01984	1.1
177.05569	2.0
178.02660	1.2
179.03490	3.3
179.05591	1.2
180.04253	6.4
181.05063	29.5
182.05357	1.1
184.03685	1.2
187.03955	2.0
190.02632	1.0
190.06378	1.2
191.03563	1.0
193.05026	2.2
194.05753	0.9
195.04842	1.7
195.06625	28.6
202.06325	0.9
205.05035	5.8
205.08664	0.9
207.06516	0.8
210.05315	1.0
220.07448	4.2
223.11111	1.1
225.07631	3.6
225.14980	3.7
227.03455	3.7
229.05136	0.8
235.09834	0.7
249.11351	1.3
255.03021	9.0
256.03333	0.9
267.10257	1.3
271.02374	1.3
282.05377	1.0
284.03265	10.4
285.03943	4.3
300.02863	2.2
311.09271	2.2
315.08752	1.9
329.10278	2.2
339.08713	2.1
341.10211	0.8
354.10919	1.1
355.11832	0.9
356.12549	0.9
369.13416	2.5
369.19174	1.6
372.11813	1.4
387.10059	4.5
387.15344	4.6
387.19550	1.4
389.28787	0.8
402.13232	4.9
403.13846	2.2
416.14941	1.1
417.15503	32.4
418.15872	2.8
426.19446	0.7
429.21179	3.5
433.07642	1.6
447.09442	1.6
469.10904	1.1
473.14337	2.3
517.15186	1.0
520.17267	1.0
523.11841	0.8
535.16608	2.9
547.19739	1.3
549.12366	15.2
549.20386	1.0
550.18542	2.4
565.20764	38.3
566.21051	4.1
583.21265	1.7
595.21320	3.6
613.22894	100.0
614.23212	11.8
655.24072	1.0
680.29614	1.2
757.27576	1.8
769.26733	0.7
775.28308	2.9
817.28998	5.3
818.28351	1.0
860.36206	2.5
861.36957	3.7
938.81604	0.9
1023.42969	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	1011.2972
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01390	2.1
71.98621	0.2
73.02940	2.6
83.01387	0.9
85.02952	0.4
89.02439	0.5
101.02435	2.3
107.01389	2.0
108.02182	1.1
109.02937	1.4
113.02441	1.0
119.01395	0.2
119.03503	0.5
119.05036	0.4
121.02960	1.5
121.16010	0.2
125.02428	0.5
131.03548	0.3
135.00905	0.7
139.04028	0.3
143.03500	0.3
148.01662	0.7
149.02434	0.5
149.04510	0.7
151.00365	8.0
153.02063	0.3
159.04413	0.3
161.04532	1.4
163.00392	2.1
164.01083	0.4
165.01932	0.6
169.01440	0.2
175.07619	1.0
178.99867	3.4
190.99919	0.3
193.01445	0.3
193.08688	0.3
195.06615	0.3
201.05569	0.4
203.03554	0.4
211.04004	0.8
215.03409	0.6
221.06674	0.8
223.06177	0.3
226.02716	1.0
227.03482	2.0
229.05052	0.5
243.02963	5.7
244.03526	0.4
245.04541	0.8
254.02193	1.8
255.02982	17.4
256.03284	1.2
257.04562	0.6
271.02463	36.8
272.02890	2.5
273.03998	0.7
283.02417	1.6
285.03992	1.2
299.01929	1.0
300.02744	70.8
301.03476	33.3
302.03873	1.5
463.08810	100.0
464.09125	7.4
473.20242	0.6
577.15680	0.7
631.42010	0.3
645.25208	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	997.6263
Annotation	Unknow
Peak:m/z	Relative Intensity
69.41476	0.3
69.42465	2.1
71.07380	2.6
86.09713	27.2
86.23680	0.3
87.64428	0.3
95.08609	0.3
98.21481	0.7
98.98475	2.8
104.10766	2.5
106.11100	0.3
111.28503	0.3
120.80093	0.3
125.00018	18.3
131.83890	0.3
173.02455	0.3
184.07356	100.0
185.07655	0.4
248.17938	0.3
258.10706	0.3
313.07263	0.3
329.71338	0.3
337.27286	0.4
439.84875	0.3
502.32843	2.1
520.34027	22.0
521.34619	0.6
539.81262	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1011.2408
Annotation	Unknow
Peak:m/z	Relative Intensity
71.81399	0.2
83.01379	0.9
92.71942	0.3
93.03455	0.6
107.01398	2.8
108.02162	0.8
109.02948	1.6
119.01344	0.4
119.04995	0.3
121.02937	1.9
135.00835	0.8
148.01662	0.8
149.02438	0.7
151.00356	11.6
152.00735	0.4
157.06696	0.3
159.04448	0.8
161.06148	0.2
163.00356	3.1
164.01151	0.7
165.01883	0.4
169.01347	0.3
169.87538	0.3
173.06099	0.4
174.03233	0.3
175.03984	0.3
178.99861	5.4
183.04526	0.6
185.06067	0.3
187.04010	0.9
189.05574	0.4
199.03920	0.4
201.05551	0.6
211.04010	1.5
215.03473	0.5
216.04204	0.6
226.02690	0.8
227.03497	11.7
227.05740	0.6
228.03981	0.9
229.05121	1.4
229.07028	0.3
239.03323	0.5
243.02959	5.6
245.04527	1.4
254.02142	1.1
255.02965	35.0
256.03433	3.4
257.04465	0.6
260.02280	0.3
266.01974	0.4
271.02454	32.8
272.02930	2.8
273.03998	1.1
283.02481	1.6
284.03247	28.1
285.03915	8.0
286.04398	0.4
299.01947	0.6
300.02725	60.1
301.03482	43.3
302.03873	2.3
416.74393	0.3
447.09271	100.0
448.09592	8.1
473.14734	0.3
490.40015	0.3
563.14001	34.1
564.14484	3.4
803.81915	0.3
958.13171	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	993.5941
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06609	0.3
71.07371	2.5
71.22091	0.4
74.26435	0.3
76.24689	0.3
81.07054	0.3
86.09711	27.7
98.98472	2.0
104.10762	3.0
108.32927	0.3
125.00013	17.6
127.87238	0.3
155.58627	0.3
184.07353	100.0
185.07700	0.5
191.41518	0.3
305.38226	0.4
470.14835	0.4
500.31696	1.7
518.32495	17.9
519.32709	0.4
694.70142	0.3
804.09314	0.4
889.63141	0.4
955.52197	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	990.3095
Annotation	Unknow
Peak:m/z	Relative Intensity
68.73587	0.9
68.99797	1.5
69.03432	33.8
70.95526	1.5
71.01362	21.3
71.04998	5.8
73.02930	8.9
75.04477	1.8
79.05489	2.6
81.03423	9.5
83.01352	6.8
83.04974	5.2
85.02908	100.0
86.03214	0.9
87.00827	9.0
87.04472	4.6
89.02400	15.3
90.16858	1.0
90.46748	0.9
91.05485	21.6
91.61018	0.8
93.03403	1.4
95.01340	13.2
95.04958	4.9
97.02897	87.2
99.00819	28.8
99.04447	8.0
101.02385	6.2
103.03949	4.7
103.05463	6.3
105.03395	1.5
107.04935	1.5
109.02874	7.3
111.00819	3.7
111.04463	5.8
113.02370	73.6
114.02724	0.9
115.00287	2.3
115.03934	3.7
115.05412	1.4
117.01848	3.1
121.02816	1.6
123.00800	4.5
123.04435	4.2
125.02354	8.7
127.03927	8.8
129.01854	5.4
129.05460	3.1
129.07024	2.2
131.03415	11.6
131.04932	6.2
133.02925	1.3
135.04451	1.4
137.02359	3.1
139.03903	3.9
141.01840	33.9
143.03424	2.0
145.04970	34.1
149.02357	0.9
151.03926	3.8
153.01831	2.9
153.07022	1.5
155.03389	4.3
155.04887	1.3
159.02902	18.7
163.03879	1.5
165.01808	1.2
165.05695	0.9
165.07013	3.7
166.07805	6.9
167.03386	2.7
167.08612	2.9
169.04956	2.0
169.06386	1.0
171.02908	3.8
173.04468	1.3
177.04007	1.2
179.03438	2.0
179.08562	3.1
181.01375	1.4
181.04979	1.6
181.10139	26.4
182.10455	1.0
183.02914	2.5
185.04424	1.6
187.02388	7.4
190.07797	6.4
191.08556	3.6
195.02924	1.8
197.04453	2.4
198.68092	0.9
202.07825	2.9
203.08556	8.0
204.09413	5.5
205.10141	52.5
206.10492	1.2
207.02858	2.0
209.04396	1.7
211.02425	2.3
213.03920	2.4
213.11320	0.9
215.08569	59.5
216.08917	1.8
217.10211	1.9
218.07288	3.1
219.08125	1.3
225.03885	7.2
229.03523	4.4
229.10147	1.8
231.08089	2.4
233.09619	67.4
234.09969	1.7
239.01819	1.8
241.03438	5.9
243.05031	4.6
243.08072	13.3
247.07668	1.2
253.03380	7.8
257.02951	12.0
259.07950	1.0
261.09125	49.5
262.09558	1.5
271.04498	36.3
275.03918	5.9
279.10187	22.6
285.06183	1.6
289.05524	5.0
293.02890	1.0
293.11578	2.1
297.11264	4.1
303.07101	10.6
329.11652	0.9
341.05020	1.5
345.11279	0.9
367.06802	1.0
369.04547	24.7
373.11154	0.8
375.48016	0.9
381.04541	2.2
383.06140	2.2
387.05615	4.9
391.11649	2.5
393.22095	0.8
401.07339	1.6
405.13525	1.0
409.12604	3.0
415.04849	1.4
419.11307	8.0
429.06619	4.1
437.06357	1.5
437.12314	20.5
455.13321	2.3
465.11713	1.0
499.06863	1.0
508.42719	0.9
509.05542	3.1
521.14264	3.0
527.06879	6.9
531.12701	5.7
545.07556	2.7
549.13947	41.1
550.13965	2.0
559.09961	1.0
563.14996	1.8
567.15015	10.4
581.16571	3.8
595.14325	4.1
613.15594	2.9
633.15631	1.5
637.70099	0.9
657.09723	1.3
661.15002	2.7
679.16064	3.5
689.14948	11.3
707.16064	36.1
708.16223	1.8
721.17206	3.0
725.17090	23.9
726.17535	1.1
739.18835	5.4
743.17767	2.4
757.19086	2.7
819.17194	5.8
837.18713	9.7
851.19653	3.5
855.19775	1.7
869.20447	2.6
990.30206	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	976.2939
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99808	2.2
69.03432	37.9
70.76640	2.8
71.01360	15.7
71.05000	3.5
73.02915	10.9
74.06548	1.0
75.04484	3.7
79.05502	2.1
79.61279	1.0
81.03423	8.4
83.01343	8.0
83.04990	3.9
85.02909	100.0
87.00829	10.4
87.04462	2.9
89.01894	1.9
89.02399	21.1
91.05488	26.2
95.01331	16.2
95.04964	3.9
97.02895	96.1
99.00824	33.2
99.01473	1.7
99.04472	3.8
101.02366	6.3
103.03947	7.4
103.05473	9.1
105.03401	2.5
105.72652	0.9
107.04988	1.7
109.02877	5.9
111.00819	2.4
111.04461	3.5
112.03889	0.9
113.02374	71.2
115.00278	2.8
115.03954	5.5
115.05478	1.9
117.01842	2.7
117.06921	1.0
120.23879	1.0
123.00803	3.2
123.04442	2.8
125.02358	9.0
127.03900	6.2
129.01862	6.5
129.07059	2.8
131.03404	15.5
131.04887	8.1
137.02338	4.4
139.03918	2.8
141.01836	45.5
141.07042	1.0
143.03430	3.3
145.04964	24.3
149.02335	1.2
151.03900	2.8
153.01836	1.5
153.06996	1.6
155.03381	3.4
157.01260	1.4
159.02905	22.2
161.05995	1.1
163.03870	1.2
165.01877	1.6
165.07025	2.8
166.07779	6.2
167.03401	2.1
167.08578	1.7
169.04996	1.9
171.02934	4.4
177.03960	3.5
177.29962	1.0
178.07848	1.4
179.03473	2.1
179.08618	3.1
181.10127	36.3
183.02957	1.1
185.04489	1.3
187.02405	6.5
190.07791	5.1
191.08554	3.3
195.02969	2.1
197.04483	2.2
201.03893	1.6
202.07701	1.4
203.08536	7.1
204.09319	5.0
205.10133	53.2
206.10516	2.2
209.04391	2.1
211.02370	4.7
213.04001	2.7
215.08562	61.8
216.08913	2.5
217.10262	2.3
218.07323	3.8
219.08078	1.7
225.03929	5.6
229.03406	6.6
231.08044	2.3
233.09622	81.4
234.10008	2.5
241.03435	2.8
243.05064	5.3
243.08078	14.1
253.03433	7.2
257.02948	14.7
261.09128	52.4
271.04498	43.5
275.04062	8.1
279.10168	28.4
279.13120	1.9
289.05551	6.3
293.11682	1.4
297.11301	7.2
303.07095	12.7
341.04816	2.0
359.06433	1.4
369.04581	30.2
375.12186	1.4
380.22382	1.1
381.04541	1.4
387.05716	5.1
391.12000	2.1
409.12842	2.7
411.05618	1.6
415.05087	2.4
419.11435	11.1
429.06699	2.9
432.71863	1.3
437.12369	30.1
455.13464	3.4
481.06418	1.4
509.05444	3.4
521.14581	3.2
527.06738	9.4
531.12958	3.6
545.08221	5.0
549.14026	49.4
550.14392	2.3
567.15002	16.7
577.12939	1.7
581.16406	3.8
595.14325	7.9
610.35919	1.2
613.15863	4.7
639.08154	1.6
661.16016	1.8
679.16412	3.3
689.15082	10.4
707.16144	34.6
708.15411	2.3
721.17749	1.9
725.17157	32.2
726.16791	1.8
739.18195	4.3
743.18036	4.4
757.19409	1.8
819.17139	3.5
837.19183	5.6
855.19391	2.0
958.31024	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	975.5657
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03424	2.3
69.36766	2.2
69.37181	1.0
73.02930	2.0
76.13169	0.4
79.05513	1.4
79.85984	0.4
80.72962	0.5
81.03431	0.9
81.07059	1.9
85.02909	4.7
85.03387	0.5
91.03956	2.2
91.05490	1.8
93.07052	2.5
95.08601	2.0
97.02906	4.1
99.04460	1.0
101.02388	1.0
103.74985	0.3
105.07072	1.3
107.08615	1.3
109.02863	0.5
109.10212	0.5
119.08584	0.9
119.89307	0.4
121.10174	1.2
123.55135	0.4
127.03936	1.2
131.08659	0.6
131.83601	0.4
133.10194	0.8
135.11734	0.8
161.13303	0.5
185.04201	0.8
201.03711	0.8
203.05244	0.7
243.08507	1.7
249.98723	0.4
301.08881	0.4
347.09387	2.7
363.09280	1.2
365.10928	0.7
405.13690	6.1
463.14285	0.6
477.15747	0.5
519.29315	3.3
535.28912	3.2
681.34845	4.5
697.34106	4.6
703.42163	0.5
753.37531	0.7
813.51038	0.5
880.66156	0.4
975.56537	100.0
976.56726	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	975.5656
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03452	2.8
69.07072	0.7
71.01358	0.8
71.05000	0.5
71.29197	0.4
71.84295	0.4
73.02917	3.3
79.05500	1.9
79.59467	0.4
79.62026	0.4
81.03419	1.3
81.07088	2.2
85.02903	4.7
85.03329	0.5
87.04469	0.8
89.06032	0.5
90.43842	0.4
91.03964	2.2
91.05492	1.7
93.07056	1.7
95.08624	1.9
97.02907	5.0
98.20776	1.6
99.04418	0.4
101.02382	1.6
105.07070	1.4
107.08636	0.9
109.02865	0.5
109.10166	0.8
115.03973	0.5
119.08624	0.6
121.10162	0.7
127.03922	0.9
135.11618	0.8
145.10033	0.6
159.11754	0.5
203.05376	0.9
243.08553	1.8
305.08719	0.5
317.21136	0.6
347.09573	2.3
348.73303	0.4
365.10651	1.0
405.13745	5.0
519.29346	3.6
535.28693	3.2
681.34564	4.5
697.34155	4.1
813.50885	0.9
887.83942	0.6
975.56537	100.0
976.56561	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	972.2985
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99793	2.1
69.03432	39.0
70.84538	2.3
71.01356	20.7
71.04996	8.9
73.02917	8.9
75.04484	2.7
79.05505	1.4
81.03418	10.0
83.01337	8.1
83.04992	4.4
84.02125	1.8
85.02908	100.0
86.03233	1.0
87.00836	7.3
87.04462	7.3
89.02395	15.9
91.05485	21.8
93.03421	1.2
95.01335	14.5
95.04974	4.9
97.02893	100.0
99.00821	32.8
99.04464	8.5
101.02384	6.3
103.03954	5.2
103.05470	10.3
103.35910	0.8
105.03397	2.3
107.04966	1.7
109.02872	6.1
109.06560	1.0
111.00803	4.4
111.04444	8.2
113.02372	81.2
114.02632	1.0
115.00269	2.2
115.03926	5.5
115.05447	3.0
117.01836	1.8
119.03458	0.8
119.04959	1.4
121.02890	1.9
123.00789	6.1
123.04444	4.7
125.02362	11.0
127.03922	9.4
128.06216	1.3
129.01849	8.4
129.05507	4.2
129.07007	3.1
131.03400	9.9
131.04939	13.3
132.05305	1.5
133.02855	1.1
135.04393	2.4
137.02303	4.0
137.05997	3.4
139.03893	5.9
140.78687	0.8
141.01833	37.3
143.03415	2.9
145.04968	37.7
147.04424	3.0
149.02324	1.4
151.03883	4.6
153.01830	2.7
153.05574	0.8
153.06950	0.8
155.03415	5.4
155.04938	2.3
159.02902	14.2
163.03893	1.3
165.01855	2.1
165.07019	3.2
166.07808	6.5
167.03407	3.9
167.07103	1.9
167.08562	3.5
169.04893	1.6
171.02940	6.2
171.04218	1.1
173.04501	2.6
177.03986	2.3
178.07838	1.3
179.03398	2.8
179.08574	2.5
181.04918	1.2
181.10127	26.1
182.10426	1.3
183.02937	2.1
185.04469	2.3
187.02371	7.1
189.07062	1.1
190.07764	4.1
191.07045	0.9
191.08563	4.0
193.10127	1.8
195.02924	1.6
197.04480	3.0
202.07774	3.1
203.08589	9.1
204.09384	4.4
205.10133	57.1
206.10426	2.3
207.02914	2.1
209.04433	1.8
211.02344	4.2
213.03975	2.9
215.08568	61.0
216.08905	1.8
217.10146	1.2
218.07310	3.7
219.08102	1.6
223.02422	1.7
225.03981	7.1
229.03506	5.0
229.10263	1.6
231.08061	2.9
233.09621	67.3
234.09978	2.5
239.01852	2.4
241.03455	4.9
243.05017	3.8
243.08092	12.3
244.08661	1.9
245.09645	2.5
247.07619	1.5
253.03416	6.4
257.02985	10.1
261.06290	2.3
261.09113	47.5
262.09576	1.1
271.04495	33.5
275.03925	8.6
279.10175	24.8
280.10306	1.1
281.09479	1.1
285.05978	1.5
287.10675	1.1
289.05542	4.4
293.11670	1.9
297.11328	3.3
303.07108	8.7
327.10199	1.6
341.05026	1.9
369.04544	29.1
375.12204	1.3
381.04410	1.7
383.06024	1.3
387.05603	6.1
391.11649	2.9
401.07159	1.9
409.12964	2.0
411.05542	2.0
415.05048	1.9
419.11279	8.3
429.06686	4.4
437.12299	18.6
438.12878	1.0
451.14008	1.2
455.13623	1.4
481.05728	1.2
499.07199	1.5
503.13461	1.5
509.05603	3.9
521.14197	2.1
527.06622	10.5
531.12946	4.3
545.07617	3.3
549.14001	32.5
550.13916	1.7
567.15076	5.9
577.13513	1.0
581.16144	3.1
595.14600	4.5
613.14758	1.6
614.22180	1.0
639.08270	1.3
657.08337	1.1
661.15118	1.1
679.16089	3.2
689.15070	8.8
690.14429	1.3
707.03778	1.3
707.16028	24.2
708.15747	1.9
721.17896	1.4
725.17126	16.7
726.17157	1.7
739.18158	2.6
743.17694	2.2
757.18958	1.1
819.17145	3.7
837.17926	3.7
851.20020	1.2
870.73975	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	970.6112
Annotation	Unknow
Peak:m/z	Relative Intensity
67.42130	3.7
69.03437	10.4
69.07068	25.3
71.52002	6.9
73.02917	4.4
79.05510	75.9
81.07071	77.5
83.04983	6.8
83.08617	14.3
85.02924	26.2
91.03968	15.5
91.05485	86.6
93.07056	90.9
95.05003	8.4
95.08615	65.0
97.02883	11.4
97.06538	5.2
97.10156	8.0
105.07053	80.0
107.08609	41.9
109.06544	5.9
109.10161	30.1
117.07037	27.0
119.08590	49.2
121.10144	45.3
123.11745	9.6
125.76431	4.5
127.04041	5.7
129.07008	11.9
131.08607	37.6
133.10135	44.3
135.11723	25.0
143.08580	18.7
145.05029	6.8
145.10149	29.5
147.11702	40.2
149.13248	17.2
153.43877	4.5
155.08554	7.3
157.10165	13.3
159.11697	37.5
161.13287	30.4
163.06073	8.7
163.14862	10.4
170.75316	5.0
171.11697	14.2
173.13272	23.4
175.14827	12.0
185.13292	12.6
187.14734	6.1
199.14735	5.1
207.74518	4.5
231.21109	4.9
241.19478	27.7
243.36005	4.5
257.18997	8.6
259.20618	65.3
261.22174	10.4
275.20175	6.4
277.21634	5.6
287.55096	4.9
315.23209	6.1
333.24292	48.8
335.25818	100.0
337.27390	10.4
374.37433	5.2
441.37592	4.7
519.42139	4.8
593.45483	16.0
610.45526	7.7
611.46680	77.3
612.46405	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	970.6147
Annotation	Unknow
Peak:m/z	Relative Intensity
68.90536	0.9
69.03439	3.6
69.07071	8.9
70.08767	2.6
70.09184	1.6
71.05001	2.0
71.08649	1.2
73.02937	3.4
79.05498	32.8
81.03430	3.6
81.07059	37.8
81.55151	0.9
83.05011	2.0
83.08627	5.5
85.02908	8.7
85.06577	1.9
91.03978	5.6
91.05487	24.9
93.07049	38.7
95.04996	4.1
95.08614	32.0
96.31363	0.8
97.02893	7.4
97.06572	3.0
97.10187	3.6
97.47497	1.1
99.04498	1.3
99.08098	1.6
99.33986	1.0
101.02418	1.9
105.04535	1.5
105.07035	24.9
105.07684	1.6
107.08600	22.1
109.02921	1.2
109.06555	1.5
109.10166	12.2
113.09647	1.0
115.03973	1.1
117.07009	8.4
119.08589	16.4
121.06448	1.1
121.10159	16.3
123.08136	1.5
123.11761	3.5
125.09684	1.3
127.03966	3.3
127.19898	1.0
129.07043	2.5
131.08571	12.4
133.10138	14.9
133.11093	1.5
135.11693	13.5
135.12595	1.2
137.09619	1.2
137.13254	1.0
143.08585	4.2
145.05022	2.8
145.10136	10.7
147.11681	10.6
147.12634	1.1
149.09721	1.9
149.13263	5.9
157.10210	2.8
159.11707	8.6
160.51189	1.0
161.13251	6.8
163.06071	0.9
163.11244	1.7
163.14915	2.6
169.10191	1.2
171.11798	3.0
173.13263	7.0
175.14890	2.8
185.13394	3.1
187.14806	5.7
199.14886	1.8
201.16510	1.3
205.15939	2.2
213.16533	1.1
241.19647	2.9
243.08496	1.2
243.21251	2.0
257.19254	1.3
259.20599	13.8
261.22110	5.2
277.21652	10.1
289.21729	1.2
293.20932	1.3
294.78824	0.9
317.24869	1.5
333.24243	9.4
335.25821	58.3
337.27573	1.8
347.09686	2.5
351.25339	20.8
405.13879	3.4
454.14932	0.9
497.31158	2.1
498.31488	1.6
529.39349	2.9
537.43146	1.2
551.28497	1.9
552.29053	1.8
553.42865	1.2
563.54889	1.0
593.46399	2.0
611.46722	32.1
629.46997	1.2
659.36096	1.7
660.36792	2.0
679.51526	1.1
713.33942	1.6
714.34271	3.4
808.52612	1.7
970.57983	100.0
971.58124	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	961.5865
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05511	3.0
69.03440	2.9
69.07093	0.7
70.60935	1.3
71.01362	0.8
71.05027	0.6
73.02920	3.6
79.05515	1.7
81.03441	1.5
81.07059	4.0
83.05023	0.5
84.45610	0.3
84.47309	0.4
85.02907	5.1
87.25655	0.4
91.03957	3.3
91.05503	0.6
93.07041	2.1
95.08624	2.7
97.02902	4.8
97.10197	0.5
99.04464	0.8
101.02369	2.1
105.07044	0.6
107.08620	0.8
109.02912	0.7
109.10191	1.1
115.03973	0.8
119.08615	0.5
120.60214	0.4
121.10176	1.0
123.11671	0.8
127.03960	1.8
133.10141	0.4
135.11679	0.7
175.30605	0.4
185.04326	0.8
185.77306	0.5
203.05421	1.0
219.79279	0.4
233.68742	0.4
240.77753	0.4
243.08524	1.7
347.09677	1.6
363.09158	0.5
365.10818	1.0
385.20517	0.5
389.06067	0.5
405.13672	4.5
519.29285	3.8
521.30920	4.2
681.34448	4.5
683.36096	3.9
799.53613	1.0
961.58618	100.0
962.59082	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	954.6162
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05518	51.3
69.03447	2.7
69.07079	13.1
69.31770	1.2
69.32163	4.5
71.04986	1.7
73.02925	4.6
79.05508	36.0
81.03443	1.9
81.07074	57.8
83.04982	1.4
83.08639	7.5
85.02921	16.9
85.06564	1.9
87.43390	0.5
91.03973	12.2
91.05495	21.3
93.07060	42.2
95.04987	1.8
95.08625	46.6
96.08971	0.6
97.02911	9.1
97.06539	2.5
97.10192	3.2
99.04473	0.8
99.08104	1.5
100.66289	0.5
105.04501	0.7
105.07047	19.5
107.08617	24.2
109.06552	1.4
109.10175	22.4
109.10930	0.6
111.08096	1.4
111.11748	0.7
112.28778	0.5
113.09692	0.7
115.03953	0.7
117.07056	6.8
119.06187	0.5
119.08604	16.7
121.10168	21.2
123.08105	1.3
123.11736	8.9
125.09640	1.2
127.03921	4.5
129.07040	1.9
130.07816	0.8
131.08586	13.1
133.10159	12.9
135.08070	0.6
135.11714	15.2
137.09644	1.1
137.13284	3.4
143.08592	2.4
145.04970	6.5
145.10161	11.0
147.11708	13.6
149.09663	1.1
149.13295	9.6
151.14859	1.6
157.10150	2.3
159.11731	9.8
161.13292	7.9
163.06049	6.8
163.14856	6.0
165.12738	0.8
165.16353	0.7
169.10133	1.2
171.11729	2.4
173.11951	0.9
173.13304	8.8
175.14879	4.2
177.12849	0.8
177.16457	2.3
180.08815	0.6
183.11705	0.7
185.13312	2.6
187.14822	4.1
189.16408	1.9
197.13437	0.9
199.14908	2.0
201.16437	2.1
203.18050	0.8
213.16473	0.8
215.17981	1.3
217.19551	0.9
219.17557	0.6
231.21086	1.5
232.95010	0.6
233.22697	0.8
237.16228	0.6
241.19664	4.3
243.21144	5.0
245.22720	1.3
257.19067	1.5
259.20630	9.9
261.22202	22.0
262.22699	1.0
263.23715	1.8
271.20490	0.7
277.21707	0.8
279.23129	1.1
280.93930	0.6
291.23074	0.7
299.23804	1.6
301.25244	0.7
315.23236	1.1
317.24832	3.3
319.26288	0.7
333.24298	8.1
335.25858	100.0
336.26218	2.2
337.27457	14.3
353.27377	0.6
355.30182	0.6
367.00342	0.6
419.33017	0.5
438.18463	0.6
489.36139	0.8
503.36832	0.6
517.39282	0.8
521.43512	3.5
529.38904	1.0
539.44830	0.6
543.39984	0.9
595.47351	16.9
596.47198	1.1
608.01251	0.7
613.48364	22.0
614.48230	0.9
642.53571	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	956.6307
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05511	85.2
69.03435	3.0
69.07078	33.6
69.50810	3.2
69.51215	8.7
71.04991	2.3
71.08614	3.0
73.02919	6.4
73.06554	2.0
79.05496	43.7
80.23781	1.6
81.07062	100.0
83.04982	2.2
83.08633	18.7
85.02911	27.3
85.06579	1.4
91.03963	16.3
91.05488	27.4
93.06487	2.9
93.07056	58.4
95.04948	4.5
95.08614	75.6
97.02901	14.4
97.06543	5.5
97.10162	9.2
98.21535	3.6
99.08103	5.0
101.06019	1.6
105.07035	27.1
107.08607	29.8
109.10164	30.7
111.08087	2.1
115.11205	2.5
117.07021	6.2
117.09137	3.4
119.08590	17.7
121.10151	26.7
123.08006	1.9
123.11736	11.8
127.03928	7.3
131.08546	12.7
133.10141	16.8
135.11714	19.9
137.09650	2.7
137.13284	4.7
142.34814	1.3
143.08582	1.9
145.04974	9.6
145.10161	11.8
147.11711	12.9
149.13287	12.9
151.14850	1.7
153.12714	1.9
159.11700	9.9
161.13303	13.1
163.06030	12.1
163.14844	10.8
171.11720	2.0
173.13286	7.9
173.15373	2.2
175.13458	1.6
175.14850	6.3
177.16380	1.9
178.97922	1.6
185.13327	2.1
187.14801	4.7
189.16338	3.5
215.17984	1.7
219.21028	1.6
228.20592	1.7
238.95071	1.7
243.21175	9.7
245.22687	3.9
259.20544	8.2
261.22174	26.4
263.23648	5.7
301.25073	1.8
315.22983	1.8
317.24823	4.5
333.24225	5.1
335.25839	87.6
336.26184	5.3
337.27383	99.7
338.27628	3.1
339.28955	7.6
353.26990	2.2
519.41016	1.6
523.45038	3.6
541.45587	2.6
597.39203	2.2
597.48773	48.2
615.49878	49.9
616.50067	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	941.5087
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05515	2.7
69.03429	3.7
69.07074	1.2
71.51141	2.0
73.02931	2.9
79.05503	2.8
81.03443	3.0
81.07051	2.7
85.02922	6.6
91.03964	3.1
91.05499	2.6
93.07063	2.9
95.08639	1.5
97.02891	6.4
101.02376	1.8
105.07048	1.8
107.08604	2.3
110.10957	1.0
110.44769	1.0
112.83478	0.8
119.08609	1.2
121.10142	1.4
127.03974	3.1
131.80486	1.0
138.00540	1.0
243.08636	1.1
283.15250	2.2
290.71402	0.9
347.09698	1.8
405.13837	6.2
442.00946	1.0
470.97296	1.2
501.23337	4.1
519.29437	5.5
617.40735	1.2
654.36938	1.1
660.67188	1.0
663.28479	4.0
681.34332	8.1
779.45038	1.8
941.50806	100.0
942.51263	7.4
953.72479	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	949.6266
Annotation	Unknow
Peak:m/z	Relative Intensity
67.83340	0.5
69.07088	0.5
71.07381	5.3
71.08636	1.4
81.07061	1.3
85.10189	0.9
86.09716	45.4
87.10039	0.6
95.08609	0.8
98.98473	3.0
99.11732	0.5
104.10756	94.6
125.00024	25.6
163.01576	1.0
168.59801	0.5
184.07362	100.0
252.39983	0.5
258.10986	0.8
313.27325	2.3
341.29575	0.6
478.33093	8.3
496.34045	96.1
497.34494	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	940.5999
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05508	87.0
69.03415	4.9
69.06733	1.6
69.07072	22.1
69.85851	3.8
69.86266	2.6
71.04987	3.2
73.02917	6.0
73.06522	1.2
79.05495	64.6
81.03376	2.0
81.07059	100.0
83.04960	2.8
83.08617	12.5
85.02907	27.0
85.06544	3.3
90.78742	1.4
91.03951	17.0
91.05480	39.9
93.07045	73.3
95.04994	5.9
95.08611	82.7
96.04465	1.2
97.02885	16.0
97.06538	4.2
97.10159	4.2
98.20968	2.1
98.21526	1.3
99.04430	1.2
99.08113	1.7
103.05466	1.6
105.04558	2.5
105.07035	35.4
107.08595	46.3
109.06500	2.3
109.10158	36.8
111.08086	2.4
113.06013	1.3
115.03977	1.8
117.07024	13.9
119.08587	30.3
121.10146	35.6
123.04350	1.1
123.08121	1.5
123.11710	9.7
123.51233	1.1
127.03923	6.3
129.07019	2.6
131.08577	21.5
133.10136	22.5
135.11688	22.9
137.09599	2.3
137.13268	4.7
143.08545	3.5
145.04956	7.7
145.10135	21.4
147.11703	18.9
149.09657	1.4
149.13257	12.5
150.62865	1.3
155.08679	1.3
155.47046	1.1
157.10117	5.2
159.11699	17.3
161.13239	11.8
163.06068	9.0
163.11292	1.2
163.14850	5.5
169.10104	2.3
171.11678	4.9
171.13043	1.0
173.13306	11.8
175.14857	4.4
177.16379	1.6
185.13300	4.1
187.14821	3.8
199.14839	2.8
201.16367	3.0
203.17932	1.8
213.16475	1.7
215.17978	1.4
217.19377	1.2
225.16624	1.0
227.17992	3.0
228.67322	1.2
229.19554	5.9
241.19557	4.2
243.21092	4.5
245.19116	5.7
247.20590	13.2
259.20554	8.9
261.22150	19.8
263.23743	1.6
299.23587	1.4
303.23099	2.3
305.24161	1.1
317.24777	4.2
319.22665	5.4
321.24252	74.7
322.24426	2.3
323.25757	11.9
333.24286	5.6
335.25809	75.5
337.27417	9.0
386.93600	1.2
396.72131	1.2
507.41818	5.6
517.38977	1.3
525.43475	2.3
581.45673	26.1
599.46655	30.8
600.46326	2.1
741.59180	1.2
893.71271	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	937.5869
Annotation	Unknow
Peak:m/z	Relative Intensity
66.61710	0.3
67.05513	1.9
69.03445	2.3
69.07085	0.5
70.38308	0.6
70.38666	0.5
71.01380	0.5
71.08640	0.6
73.02926	2.9
79.05505	1.5
81.03427	1.5
81.07054	1.6
83.08623	0.3
85.02915	4.9
91.03971	3.2
91.05477	0.5
93.07074	1.0
93.77215	0.3
95.08643	1.4
97.02916	4.9
97.10179	0.3
98.65733	0.3
99.04514	1.0
101.02402	1.9
101.02946	0.3
104.99276	2.3
107.08606	0.6
109.02921	0.8
109.10182	0.6
115.03979	0.6
119.08614	0.5
121.10188	0.9
127.03942	1.7
133.10199	0.4
135.11763	0.4
145.05051	0.4
145.10300	0.3
185.04312	0.8
186.99663	1.2
203.05373	0.7
218.36028	0.3
226.96503	0.3
243.08432	1.8
269.00049	0.8
313.27628	0.5
318.40314	0.3
347.09723	1.8
365.10721	0.9
405.13760	4.6
433.00192	0.3
457.88812	0.3
497.30896	2.6
497.36743	0.3
519.29260	4.3
659.35980	3.1
664.96936	0.4
681.34650	6.4
775.53131	0.8
937.58704	100.0
938.58838	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	937.5862
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05521	2.2
68.70734	0.2
69.03433	2.8
69.07069	0.6
71.01357	0.5
71.04998	0.4
71.08640	1.0
71.29164	0.4
73.02921	3.1
74.31091	0.2
79.05495	1.1
81.03416	1.3
81.07059	2.3
83.08627	0.4
85.02908	5.0
85.10202	0.5
91.03970	2.7
91.05486	0.5
93.07053	1.3
95.08608	2.0
97.02895	5.5
99.04463	0.6
101.02390	1.7
103.03932	0.3
105.07040	0.5
106.06120	0.3
107.08607	0.7
109.02892	0.8
109.10179	0.8
115.03943	0.6
119.08580	0.4
121.10162	0.7
123.11800	0.3
125.51151	0.2
127.03907	1.6
131.08565	0.4
131.33749	0.2
135.11742	0.2
142.66344	0.2
145.04970	0.3
145.53751	0.2
183.15509	0.2
185.04312	0.9
203.05357	0.8
243.08484	1.6
256.06799	0.3
312.74036	0.2
313.27405	0.5
335.25751	0.3
347.09518	2.0
365.10736	0.6
405.13657	5.1
405.18564	0.3
497.30835	2.9
519.29382	4.4
609.79065	0.3
657.13086	0.3
659.36176	2.9
681.34558	6.1
775.53583	1.1
937.58636	100.0
938.58691	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	932.631
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03944	1.8
67.05512	38.5
69.03426	2.0
69.07079	12.0
69.44114	0.6
71.04990	1.4
71.08241	0.8
71.08636	18.7
73.02932	4.8
79.05500	20.5
81.03372	0.9
81.07065	45.9
83.05000	1.1
83.08625	11.0
85.02916	18.0
85.06561	0.9
85.10195	11.7
87.70208	0.7
89.06047	1.7
91.03969	11.0
91.05487	10.4
93.07052	27.1
95.08616	42.6
96.04474	1.1
97.02903	9.7
97.06533	1.6
97.10178	3.7
97.36246	0.6
98.20807	2.0
99.04467	1.2
99.11786	0.7
105.07044	9.1
107.08606	17.4
109.10171	19.9
111.11734	1.2
115.03929	0.9
117.07024	3.2
119.08590	8.6
121.10156	16.5
123.11736	9.1
124.88252	0.7
125.09639	0.7
127.03928	4.1
131.08585	7.6
133.10139	6.6
135.11710	9.3
137.13283	3.0
145.04988	5.8
145.10135	5.8
147.11732	4.8
149.13266	7.5
151.14803	1.0
159.11702	6.0
161.13287	4.8
163.06058	7.4
163.14799	3.5
165.16486	1.0
173.13293	4.9
175.14857	1.9
177.16353	1.8
183.27347	0.7
187.14816	3.2
201.16461	1.2
202.98047	0.6
233.22766	1.3
239.23727	3.6
243.21112	9.6
257.24741	1.4
261.22174	37.9
262.22620	0.9
279.23334	1.2
291.23605	0.7
299.23633	1.3
313.27396	100.0
314.27722	2.3
317.24713	5.5
335.25839	79.2
336.26208	2.3
421.55975	0.9
499.44562	1.3
573.48834	41.6
574.48895	2.0
591.49835	8.4
670.22351	0.8
758.89081	0.7
921.21021	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	930.6153
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03936	1.6
67.05508	46.7
69.03426	3.1
69.07071	29.2
71.05000	1.6
71.08619	3.6
71.53114	1.5
73.02914	4.1
79.05072	1.9
79.05496	27.0
81.03423	1.6
81.07060	55.6
83.04984	1.7
83.08625	21.8
83.83760	1.4
85.02907	18.3
85.06549	2.0
85.10191	1.9
91.03947	12.9
91.05489	15.4
91.34592	1.1
93.07042	35.4
93.64632	1.1
95.08614	46.5
97.02884	10.8
97.06525	4.9
97.10170	11.8
99.04453	1.9
99.08077	2.0
105.07053	9.4
107.08595	24.3
109.10165	17.1
111.08093	3.1
111.11718	2.7
112.31363	1.1
113.09664	1.7
117.07047	3.1
119.08596	9.2
121.10155	23.3
123.11736	8.6
125.09653	1.4
127.03917	4.4
131.08557	8.2
133.10153	6.9
135.11699	15.8
137.13251	3.5
139.11221	1.8
145.04979	5.7
145.10101	4.6
147.11679	4.0
149.13280	10.6
159.11768	5.5
161.13249	3.9
163.05980	7.0
163.14845	5.6
172.92677	1.1
173.13274	4.1
175.13293	1.1
175.14764	1.8
177.16373	2.3
187.14807	2.9
219.21071	3.1
237.22205	3.6
243.21106	10.5
261.22159	31.7
309.24338	2.4
311.25818	100.0
312.26169	2.3
317.24808	5.8
335.25821	80.1
336.26093	2.1
337.27283	3.6
497.43579	2.6
515.44580	1.6
571.47229	46.9
589.48175	19.1
659.05914	1.4
759.05109	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	921.3912
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05493	1.8
71.51281	2.0
71.51672	1.5
79.05473	2.0
81.07005	1.6
85.34567	1.6
91.05486	1.9
98.63656	1.7
98.97537	1.6
137.41411	1.5
163.55388	1.4
222.32007	1.4
361.80386	1.5
411.14822	4.0
424.15866	2.5
425.16241	7.6
426.16885	4.4
438.12878	1.9
439.13510	9.1
440.18497	4.0
441.19308	25.8
452.15305	1.3
453.15381	11.9
454.16287	4.0
467.17230	18.5
468.17917	12.0
469.18896	9.8
481.14328	9.1
482.15289	1.7
495.16501	4.8
496.17181	9.7
497.18073	2.1
509.18341	1.8
514.21857	2.6
527.22870	1.7
555.22479	20.4
556.22668	2.6
583.21906	89.8
584.21875	5.2
587.23834	2.0
611.21875	1.6
615.24103	4.1
642.22937	2.6
643.23993	100.0
644.24420	7.7
777.56781	1.8
921.49487	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	920.5586
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03946	2.3
67.05508	67.1
68.05838	0.7
69.03438	3.0
69.07068	11.7
69.20091	0.8
71.00983	1.7
71.04996	21.6
73.02915	3.0
79.05496	36.2
81.03432	2.4
81.07058	100.0
83.04993	5.7
83.08622	10.6
83.58414	0.8
85.02907	12.8
85.06551	9.1
87.04436	1.1
91.03964	7.1
91.04908	1.6
91.05483	31.4
93.03246	0.7
93.07047	47.2
95.04975	4.4
95.08610	31.9
97.02882	7.2
97.06521	4.4
97.10155	2.2
99.08101	2.1
105.04490	1.8
105.07033	19.7
105.07695	1.4
107.08598	26.6
109.02884	0.8
109.06522	2.2
109.10163	12.7
111.08117	2.9
115.03984	0.7
117.07027	6.3
118.37358	0.8
119.08585	9.5
121.06503	0.9
121.10143	17.8
123.08067	1.1
123.11707	17.2
125.09706	1.1
127.03909	2.5
129.06990	1.2
131.08571	10.4
133.10149	20.3
135.08081	1.0
135.11691	11.2
137.09593	1.0
143.08598	1.2
145.05002	2.8
145.10135	5.9
147.11737	5.6
149.09633	0.9
149.13251	6.5
150.52533	0.8
151.11186	7.9
157.10196	1.2
159.11703	7.7
161.13271	4.8
163.06038	2.7
163.14888	1.1
169.12247	1.6
171.11656	2.0
173.13329	3.6
175.14871	2.0
177.12766	1.6
183.13799	2.6
185.13339	0.9
187.13304	4.0
187.14806	1.6
195.13835	2.1
227.16432	2.6
253.18007	2.0
257.17474	2.6
259.20779	1.6
261.22192	3.1
269.17520	5.6
301.20078	19.6
335.25800	18.7
393.31537	1.1
411.32538	2.5
429.33560	0.9
437.34250	2.1
445.23923	1.5
465.91052	0.9
485.36197	5.1
503.37332	83.0
504.37650	3.8
511.37866	2.5
517.39136	4.6
529.38922	27.5
530.38745	1.5
547.39587	1.4
561.41516	99.4
562.41351	4.6
565.88440	0.9
674.25287	0.9
720.67609	0.9
900.30542	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	920.5581
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03944	3.7
67.05508	62.6
69.03440	3.3
69.07071	11.8
71.05000	23.2
73.02911	4.0
73.06585	0.7
77.03956	0.9
79.05497	36.5
81.03420	2.0
81.07060	96.5
83.04993	4.2
83.08620	9.0
85.02428	1.1
85.02908	11.6
85.06538	8.1
87.25740	0.6
91.03955	8.1
91.05486	32.3
93.07047	43.1
95.04967	3.7
95.08609	30.3
97.02895	6.4
97.06537	5.2
97.10180	2.9
99.04432	0.9
99.08116	0.7
105.04531	1.7
105.07035	15.9
107.07880	1.4
107.08598	22.6
107.09307	1.5
109.06506	1.8
109.10164	14.5
111.08064	1.4
111.11780	0.7
117.07037	5.5
119.08589	10.2
121.10150	16.1
123.08073	1.8
123.11718	14.4
125.09607	1.5
127.03894	3.3
129.07030	1.9
131.08572	8.1
133.09123	1.3
133.10141	22.5
135.11705	10.9
137.13306	1.0
137.51801	0.6
139.11224	1.2
142.26677	0.6
143.08626	1.1
145.04973	2.5
145.10146	5.2
146.22182	0.6
147.08093	0.6
147.11690	5.1
149.09622	0.9
149.13261	6.6
151.11182	10.6
153.12798	1.4
154.51434	0.7
157.10139	0.9
159.11707	6.8
161.13271	3.6
163.06027	3.2
163.14832	1.3
165.12759	1.0
169.12267	1.1
170.26222	0.6
171.11705	1.9
173.13235	3.5
175.14859	1.3
177.12769	1.6
179.14299	0.8
180.08603	0.6
183.13849	2.7
185.13287	1.0
187.13341	5.3
187.14885	2.0
195.13838	1.8
199.14731	0.7
201.14798	0.9
201.16473	1.0
227.16481	2.6
229.03412	0.7
243.21156	1.0
253.18047	1.3
257.17599	2.9
259.20697	1.2
261.22336	3.6
269.17477	5.8
285.22119	0.6
299.23657	1.4
301.20081	20.4
315.23462	0.8
317.24951	0.9
335.25812	20.9
336.26218	0.9
345.23969	0.7
393.31769	0.8
411.32535	2.0
437.34335	1.9
445.24338	1.2
485.36295	4.4
503.37326	82.9
504.37665	3.2
511.38089	2.5
517.38757	3.7
529.38910	28.2
530.38470	0.9
547.40137	1.5
561.41516	100.0
562.41650	3.8
705.44647	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	919.2715
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99758	0.4
69.03428	1.4
71.01322	0.3
71.04995	11.7
71.12609	0.4
73.02930	1.0
74.37679	0.2
75.04457	0.7
81.03394	0.6
81.07768	0.2
83.04499	0.2
83.04980	2.4
85.02907	20.4
87.04436	0.5
91.03951	1.6
95.04942	0.2
97.02899	2.1
99.04411	0.6
107.04939	0.3
109.02882	0.8
111.00804	0.9
111.04440	1.6
115.03912	0.2
117.05508	0.2
121.02875	2.4
127.03911	1.8
129.05487	5.3
133.02834	0.4
135.04425	0.2
137.02344	1.8
145.04971	1.4
145.06122	0.2
145.06494	0.2
147.04417	0.4
147.06532	2.1
149.02365	0.2
153.01826	2.9
153.05429	0.2
159.04472	0.2
161.05951	0.2
163.05997	0.8
165.01863	1.8
171.06479	0.2
173.05936	0.2
183.02974	0.9
185.06013	0.4
188.21805	0.2
195.02875	0.2
201.05464	0.5
213.05530	1.0
213.07385	0.2
229.04968	1.7
230.21288	0.2
231.06506	0.6
239.08960	0.2
241.04950	0.6
247.05969	0.4
255.08604	0.4
257.04471	1.1
258.05200	0.6
259.05951	0.3
269.04388	0.4
274.04773	0.3
275.11276	0.2
285.03958	0.6
287.05499	100.0
288.05844	2.5
299.05573	0.4
303.04993	60.2
304.05356	1.2
315.05176	0.3
325.07178	0.2
327.05151	0.3
329.06549	1.1
345.06128	0.9
353.06497	0.4
395.07889	0.2
413.08853	0.5
431.09821	0.5
433.11435	0.4
449.10809	21.5
450.11066	0.9
465.10306	16.4
466.10608	0.7
611.15649	0.6
627.15601	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	919.5235
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05511	1.6
69.03435	2.7
69.03761	0.4
69.07059	0.6
70.02266	0.4
71.05015	0.5
71.51460	0.7
73.02931	2.4
79.05495	0.8
81.03409	3.0
81.07065	1.9
83.04970	0.6
83.08610	1.0
85.02896	3.6
91.03960	2.3
91.05508	1.5
93.07053	0.8
95.04968	0.6
95.08620	1.9
97.02892	3.6
97.06525	0.5
101.02413	1.6
105.07043	0.9
107.08627	0.5
109.02898	0.5
119.08626	0.5
121.10187	0.9
127.03959	1.6
131.08630	0.7
147.11667	0.4
149.09706	0.6
170.56586	0.5
185.04265	0.7
193.12326	1.1
203.05357	0.7
234.85963	0.5
243.08620	1.7
283.15201	2.2
313.27206	0.6
339.17859	0.6
347.09717	1.9
365.10522	1.0
405.13586	4.9
497.30975	4.5
501.23074	8.2
586.46094	0.4
605.94006	0.5
659.36206	4.8
663.28271	7.8
757.47400	2.4
919.52362	100.0
920.52570	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	912.3599
Annotation	Unknow
Peak:m/z	Relative Intensity
70.02961	0.9
70.84553	1.2
70.84888	1.1
73.99316	0.6
76.03962	0.6
84.04501	0.8
99.05577	1.6
99.40074	0.6
121.89814	0.7
145.06093	0.8
185.03821	1.1
288.06671	1.2
401.18240	1.0
403.18970	1.7
416.20126	1.3
417.20956	4.3
417.25812	0.8
418.21567	2.0
429.16556	1.7
431.17987	5.1
431.23712	1.0
433.24017	7.9
434.24854	0.9
443.18173	0.8
444.19067	5.1
445.19717	7.7
446.20844	1.6
457.20343	0.8
459.21802	56.5
460.22552	14.9
461.23465	7.3
473.23630	4.5
476.22702	1.1
487.20859	1.2
487.25323	1.0
491.18930	1.1
501.23035	1.5
505.25970	3.1
519.23541	10.6
531.24243	4.4
546.26306	4.0
547.27087	40.4
548.27087	2.3
551.20911	1.0
563.27112	1.3
574.25519	3.9
575.26025	1.6
576.24109	0.9
579.24207	3.8
591.26007	4.6
606.28424	100.0
607.29169	58.4
608.29803	3.6
639.26520	3.2
783.31464	3.0
880.33307	1.0
912.35883	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	914.5688
Annotation	Unknow
Peak:m/z	Relative Intensity
65.76988	0.6
67.05506	11.1
69.03383	1.7
69.07072	6.5
69.44640	2.9
69.45052	1.2
71.04980	1.4
71.08639	16.4
73.02893	1.4
79.05488	7.0
81.03422	54.4
81.07063	14.1
83.04968	3.1
83.08173	1.0
83.08625	18.0
85.02905	5.3
85.06499	0.8
85.10184	8.6
89.05996	1.5
91.03963	3.0
91.05485	9.4
93.07047	5.0
95.04388	1.0
95.04971	15.2
95.08612	15.6
97.02898	4.3
97.06483	1.0
97.10157	4.9
98.20791	1.4
105.07037	8.7
107.04963	3.3
107.08565	2.4
109.02863	0.6
109.06491	1.6
109.10171	7.0
111.04421	2.1
111.08096	3.8
115.05411	1.6
117.07014	0.8
118.99340	0.7
119.08589	8.0
121.06531	1.2
121.10134	3.6
123.04420	0.9
123.08070	1.3
123.11707	3.4
127.03923	1.0
129.07033	5.0
131.08577	4.4
133.06432	2.0
133.10091	3.4
135.11691	1.0
137.09663	1.0
137.13234	1.4
142.07767	1.9
145.04929	1.9
145.10126	2.0
147.04378	1.0
147.08049	1.9
147.11688	5.2
149.09637	3.4
155.08589	0.7
157.10117	6.9
163.05991	3.3
163.11125	1.3
165.12624	0.9
175.11197	6.3
193.12248	19.5
203.14261	0.8
211.13258	1.1
235.13316	1.5
239.23691	1.7
249.14867	1.6
256.32983	0.6
257.24692	1.7
257.92081	0.7
259.13220	0.9
267.15927	100.0
268.16193	1.4
273.14853	1.4
288.12094	0.6
301.14389	1.8
309.16943	2.4
313.27374	96.2
314.27716	2.7
333.16995	1.1
345.76913	0.6
431.17294	0.7
470.13269	0.6
505.38916	81.0
506.39084	3.5
523.39862	1.8
547.39929	6.8
589.41132	1.0
601.41302	2.3
613.40918	2.1
631.42285	2.0
649.42938	1.6
833.07422	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	909.4823
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05504	2.6
69.03428	2.8
69.07062	1.0
71.01368	0.7
71.10679	0.4
71.51375	0.8
73.02927	3.4
78.53226	0.5
79.05499	1.6
81.03421	1.8
81.07062	3.7
83.04948	0.5
85.02899	5.5
91.03958	4.0
91.05489	1.7
93.07065	1.4
95.08624	2.2
97.02905	6.3
99.04467	1.1
101.02393	1.5
105.07060	1.4
107.08601	0.8
109.02816	0.6
119.08588	0.8
121.10174	1.5
123.11742	0.7
127.03954	1.5
128.08170	0.6
145.05038	0.7
147.11728	2.5
165.12849	0.7
185.04323	1.4
203.05334	1.6
217.37141	0.4
243.08534	1.4
269.12555	0.9
284.39230	0.5
301.20175	0.5
307.15424	0.6
347.09518	3.1
365.10721	1.5
405.13687	3.4
425.21622	0.7
469.20456	11.0
469.27094	0.8
519.29401	3.6
545.79559	0.6
590.93018	0.5
631.25415	7.0
681.34344	3.6
747.42920	1.6
909.48212	100.0
910.48407	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	909.4823
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05517	3.5
69.03435	3.9
69.07069	0.6
73.02932	3.5
74.03704	0.3
78.96510	0.4
79.05496	2.4
81.03427	2.2
81.07060	2.7
83.04980	0.5
83.08622	0.5
85.02913	6.6
87.04501	0.4
91.03954	3.6
91.05483	1.9
93.07057	2.2
95.04989	1.1
95.08620	1.9
97.02896	6.4
99.04494	0.5
105.07052	1.5
107.08621	1.3
109.02917	1.1
109.10177	0.8
115.03997	0.4
117.07080	0.6
119.08613	1.0
121.10176	1.2
123.00705	0.3
127.03950	2.2
129.05432	0.4
129.07100	0.4
131.08618	1.2
133.10147	0.9
135.11723	0.3
145.04910	0.5
145.10083	0.4
147.11714	0.7
159.11832	0.3
175.25380	0.3
185.04350	0.6
186.13022	0.3
193.12311	0.5
201.03851	0.5
203.05357	0.6
243.08464	1.6
243.37833	0.3
251.12572	0.8
261.22308	0.5
335.26056	0.5
339.78931	0.3
347.09573	2.1
356.76266	0.4
363.09302	0.4
365.10803	0.8
372.31308	0.3
405.13751	5.3
469.20441	3.3
519.29327	4.2
631.25592	3.0
650.50018	0.4
681.34479	6.2
747.43097	1.5
909.48236	100.0
910.48352	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	909.4826
Annotation	Unknow
Peak:m/z	Relative Intensity
66.36968	0.6
67.05513	3.0
69.03436	3.7
69.28174	1.4
69.28581	5.5
71.05012	1.0
73.02909	3.1
74.87982	0.7
79.05502	1.5
81.03432	2.7
81.07082	2.2
85.02920	4.3
88.01745	0.7
91.03971	2.7
91.05498	1.6
93.07066	2.4
95.05001	0.8
95.08652	1.0
97.02916	4.9
99.04472	0.9
101.02373	1.7
105.07072	0.8
106.12164	0.7
109.74133	0.6
121.10220	1.5
131.08554	0.9
145.08533	0.7
159.69781	0.7
168.83096	0.6
175.11249	0.7
179.75661	0.7
185.04240	0.9
243.08560	1.8
249.91159	0.7
298.94467	0.7
347.09702	2.0
405.13754	5.1
469.20541	6.0
483.73203	0.7
512.72644	0.7
519.29272	2.1
534.24786	0.9
631.25848	5.4
681.34796	2.3
741.76624	0.9
747.43378	1.2
784.72723	0.8
803.55634	0.8
855.44318	0.8
909.48230	100.0
910.48547	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	909.4823
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05517	3.2
69.03433	3.4
69.07079	0.6
69.21591	1.4
69.22015	1.4
70.75499	0.3
71.01361	0.6
73.02924	3.4
79.05502	2.0
81.03420	1.7
81.07055	3.4
83.05003	0.3
83.08645	0.6
83.30869	0.2
85.02908	5.6
85.03383	0.4
87.04509	0.3
90.40392	0.2
91.03960	3.3
91.05506	1.1
93.07057	1.9
95.08607	2.3
97.02902	5.0
97.06567	0.3
99.04496	1.1
103.03948	0.5
105.07070	1.2
107.08610	1.4
109.02921	0.8
109.10186	0.6
115.03977	0.5
117.07079	0.5
117.50011	0.3
119.08628	1.1
121.10173	0.8
123.11741	0.7
127.03917	1.9
131.08551	0.3
135.11711	0.6
145.04997	0.5
147.11696	1.7
159.43857	0.3
185.04305	0.7
201.03683	0.3
203.05368	0.8
243.08362	1.5
251.12752	0.8
269.12506	1.1
287.13449	0.4
299.15045	0.3
335.25995	0.4
347.09561	2.4
363.09293	0.4
365.10806	0.9
405.13672	4.0
469.20435	5.4
519.29352	4.6
631.25366	3.6
681.34485	6.0
682.34589	0.5
747.42596	1.9
909.48236	100.0
910.48529	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	904.5267
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03939	2.5
67.05508	45.5
69.03435	4.3
69.07069	12.2
70.00685	1.3
70.01080	1.7
71.04987	3.6
73.02923	3.3
79.05497	35.9
81.03422	46.6
81.07061	48.1
82.07407	0.8
83.04986	12.7
83.08620	21.7
85.02910	27.4
85.06532	2.5
87.04492	1.1
91.03966	7.6
91.05482	36.5
93.07050	35.9
95.04968	20.4
95.08610	29.2
97.02902	9.4
97.06529	3.6
97.10173	3.3
99.04480	0.9
99.08066	2.0
103.05502	0.8
105.04524	1.2
105.07033	27.3
107.04969	4.7
107.08598	16.1
109.06532	3.8
109.10161	7.6
111.04455	1.4
111.08101	7.6
113.06007	2.0
115.05451	2.4
117.07008	4.6
119.04938	0.6
119.08585	20.1
121.06531	1.5
121.09319	1.3
121.10146	15.8
123.08086	1.8
123.11708	4.0
125.09604	1.6
127.03917	2.2
128.06268	0.8
129.06995	9.2
131.08580	13.4
133.06503	2.7
133.10139	13.8
135.08052	0.8
135.11708	6.6
135.68161	0.6
137.09627	2.4
137.13194	0.9
142.07768	2.3
142.08826	0.7
143.08551	1.3
145.04974	3.2
145.10115	5.3
147.08044	2.4
147.11702	13.6
149.09647	5.1
149.13243	3.7
151.11282	0.9
155.08569	1.1
157.10139	10.3
159.11674	4.1
161.13261	2.3
163.06042	2.5
163.11215	1.2
163.14877	1.9
165.12805	1.8
173.13283	2.6
175.11182	11.7
175.14809	1.0
187.14859	2.0
193.10446	0.8
193.12260	33.0
211.13292	61.5
212.13678	1.1
213.02184	0.8
243.21051	3.7
261.22174	8.3
267.15915	15.1
269.17584	1.1
274.35168	0.7
285.16977	70.3
286.17227	1.2
301.25143	1.6
317.24850	2.6
335.25818	59.1
336.26041	1.7
417.31290	1.0
435.32477	1.8
453.33658	2.8
456.83206	0.8
471.34885	2.3
487.34357	0.7
527.37219	12.5
545.38391	100.0
546.38556	3.1
563.39447	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	904.5268
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03947	1.9
67.05511	41.8
67.47948	0.3
68.05813	0.4
69.03430	1.5
69.07074	14.1
71.05003	2.1
71.08614	0.6
73.02911	2.1
73.06573	0.5
78.36324	0.3
79.05499	25.3
81.03439	1.8
81.07063	67.2
82.07392	0.6
83.04987	4.1
83.08626	7.7
85.02910	8.1
85.06551	3.9
87.04459	0.4
91.03961	6.3
91.04904	0.7
91.05488	21.2
93.07050	27.5
95.04977	3.0
95.08614	32.1
97.02888	4.7
97.06541	5.1
97.10161	2.2
98.20739	1.2
99.04466	0.4
99.08105	2.5
100.11593	0.5
101.06048	0.9
105.04525	0.9
105.07038	27.4
107.08602	19.8
109.06534	3.2
109.10162	10.2
111.08102	1.2
113.06052	1.0
117.07004	2.2
119.07702	0.6
119.08588	20.0
121.10152	20.4
123.08100	2.7
123.11720	17.9
124.12058	0.4
127.03923	1.8
127.07564	1.6
129.07024	1.1
131.08566	5.8
133.10138	5.1
135.11697	6.7
137.09663	0.6
137.13266	2.0
139.11227	0.5
145.04964	1.8
145.10146	4.4
147.11700	39.5
148.12065	0.5
149.13263	3.9
157.10094	1.8
159.11707	2.9
161.13245	2.3
163.06056	2.0
163.14845	1.9
165.12766	13.6
171.11708	0.4
173.13277	2.1
175.11249	1.1
175.14851	0.9
177.16434	0.8
179.14302	0.5
183.13815	2.3
187.14827	1.3
189.16397	0.4
193.12299	1.2
201.16380	0.4
205.15936	0.5
229.14354	3.8
229.35599	0.5
243.21083	3.9
244.21246	0.4
261.22180	15.5
262.22693	0.4
267.15936	49.1
268.16373	0.6
279.23224	2.8
285.16986	54.4
286.17337	0.7
317.24765	2.6
335.25821	100.0
336.26108	3.2
345.75964	0.5
353.26813	1.8
361.23999	0.5
375.14188	0.5
386.02560	0.3
453.33795	1.1
471.34366	0.9
527.37311	4.6
535.90741	0.4
545.38409	60.5
546.38666	2.8
563.39459	3.1
904.48468	0.6
905.48096	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	904.5274
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03958	2.2
67.05509	39.9
69.03442	4.2
69.07072	9.2
69.50773	3.5
71.01321	0.5
71.05002	3.4
73.02924	3.0
75.03551	0.5
77.03873	0.6
79.05497	34.1
81.03425	34.6
81.07061	39.3
83.04986	9.6
83.08625	15.1
83.09364	0.5
85.02910	23.1
85.06498	1.7
91.03957	6.0
91.05485	29.5
93.07047	31.6
95.04974	15.6
95.08611	26.0
96.04401	0.5
97.02320	0.5
97.02895	7.0
97.06522	3.5
97.10163	3.2
99.04409	0.6
99.08045	1.2
105.04510	0.7
105.07038	21.4
107.04957	4.1
107.07908	1.0
107.08603	17.2
109.06516	3.1
109.10168	9.9
111.04417	1.3
111.08089	5.7
113.06025	2.2
113.09676	0.5
113.94031	0.5
115.03870	0.6
115.05413	1.3
117.07034	3.9
119.08590	17.4
121.06483	1.2
121.10154	13.7
123.08083	2.7
123.11700	3.4
125.05927	0.8
125.09570	1.3
126.60574	0.5
127.03925	2.2
129.07008	6.6
131.07610	0.6
131.08568	11.6
133.06441	1.3
133.10127	11.0
135.08073	0.6
135.11705	7.9
137.09595	1.6
137.13220	0.9
142.07747	1.4
143.08524	0.9
145.04924	2.1
145.10132	5.1
147.08046	1.4
147.11694	11.6
149.09599	3.6
149.13268	4.1
151.07515	0.6
151.11157	0.7
155.08569	0.6
157.10135	7.8
159.11702	3.4
161.13231	2.0
163.06056	3.0
163.11183	0.9
163.14786	1.5
165.12729	1.6
171.11647	0.9
173.13254	2.7
175.11206	8.4
175.14819	0.5
183.11671	0.5
187.14745	1.5
193.12250	24.9
194.12515	0.5
211.13300	36.3
212.13615	0.6
213.16574	0.5
221.79480	0.5
227.12785	1.1
231.84987	0.5
243.21149	3.1
261.22174	9.3
267.15933	9.8
269.17471	0.6
279.23199	0.6
283.15594	0.5
285.16983	42.4
286.17255	1.1
301.25101	0.7
317.24847	2.6
335.25821	67.6
336.26199	1.8
343.16724	0.5
435.32678	1.7
453.33911	2.3
471.34717	1.1
527.37372	12.8
545.38422	100.0
546.38837	4.5
689.42041	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	904.5268
Annotation	Unknow
Peak:m/z	Relative Intensity
62.70289	0.8
62.94206	0.7
63.24696	0.7
65.03934	2.9
67.05508	53.3
69.03422	3.4
69.07069	17.1
69.77858	2.7
69.78270	1.2
71.04990	3.2
71.08619	0.7
73.02916	3.6
75.39877	0.7
79.05495	36.8
81.03420	2.7
81.07058	100.0
82.07397	0.8
83.04992	7.0
83.08624	10.2
85.02912	13.4
85.06538	5.6
87.04449	1.4
91.03960	8.9
91.05484	34.5
93.07046	35.2
95.04961	3.7
95.08611	41.2
97.02877	7.8
97.06532	6.7
97.10181	2.2
99.04473	1.0
99.08110	4.2
101.06001	1.1
105.04484	1.1
105.07034	40.6
107.05000	0.9
107.08600	25.7
108.37277	0.8
109.02888	0.7
109.06509	5.9
109.10161	14.0
109.78809	0.7
111.08072	2.2
113.05991	1.3
117.06987	4.2
119.08581	31.8
121.10144	30.7
123.08070	5.1
123.11710	28.9
125.09606	1.5
127.03924	3.3
127.07558	2.7
129.06992	2.1
131.08600	6.3
133.10141	8.8
135.11713	7.0
136.43729	0.7
137.09613	1.4
137.13254	3.2
145.04968	2.5
145.10121	6.1
147.11693	62.7
148.12056	1.0
149.09610	1.2
149.13258	4.8
151.14828	1.3
156.16661	0.9
157.10159	2.8
159.11700	3.9
161.13283	3.7
163.06006	5.1
163.14832	2.9
165.12752	24.8
167.14195	0.7
173.13255	4.6
175.11154	2.8
175.14888	1.3
177.16412	1.7
183.13783	2.9
187.14824	1.9
193.12305	1.5
229.14351	6.4
233.22528	0.9
243.21072	6.4
261.22147	23.1
267.15933	71.6
268.16214	2.5
279.23309	3.6
284.91238	0.9
285.16971	99.1
286.17297	2.0
303.61154	0.8
317.24817	3.9
333.24411	0.8
335.25812	81.1
336.26160	1.7
353.27072	4.0
453.33331	0.9
471.34625	2.2
527.37366	7.3
544.85455	0.8
545.38403	76.5
546.38306	3.0
563.39612	4.0
904.49756	4.8
905.50061	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	903.2771
Annotation	Unknow
Peak:m/z	Relative Intensity
64.80728	0.1
69.03433	1.0
70.56704	0.3
71.05001	10.0
73.02927	0.9
75.04488	0.8
76.85911	0.1
81.03413	0.5
83.04989	1.8
85.02913	17.3
86.03286	0.2
87.04465	0.4
91.03956	1.4
97.02910	2.1
99.04453	0.3
99.41805	0.1
100.82603	0.1
103.03946	0.2
105.03394	0.2
107.05000	0.2
109.02888	0.5
111.00833	0.5
111.04469	1.6
121.02865	1.7
123.04483	0.2
127.03930	1.3
129.05487	4.4
133.02840	0.2
135.04439	0.2
137.02330	0.7
145.05000	1.2
147.04443	0.4
147.06529	1.9
151.03836	0.2
153.01851	2.4
161.05922	0.2
163.06067	0.7
165.01842	1.5
173.05844	0.2
179.03601	0.1
182.23499	0.2
183.02962	0.7
185.06207	0.2
201.05643	0.2
213.05519	0.6
229.04996	0.3
231.06535	0.5
239.09488	0.1
241.05017	0.4
255.08705	0.5
257.04410	0.4
258.05231	0.5
259.06161	0.3
273.09738	0.2
281.88550	0.2
287.05521	100.0
288.05869	2.4
299.05380	0.5
300.15961	0.1
303.05023	16.9
311.05475	0.2
325.07159	0.2
329.06592	0.6
353.06653	0.5
401.02264	0.2
431.09769	0.5
433.11362	13.0
434.11606	0.4
449.10876	4.3
465.10135	0.2
466.89890	0.2
595.16327	0.5
611.15314	0.2
828.27802	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	903.2766
Annotation	Kaempferol 3-glucosyl-(1->3)-rhamnosyl-(1->2)-[rhamnosyl-(1->6)-galactoside]
Peak:m/z	Relative Intensity
68.99774	0.3
69.03433	0.7
71.01328	0.2
71.04997	9.9
71.31929	0.1
71.32262	0.2
73.02918	0.9
75.04482	0.6
81.03381	0.3
83.04987	1.8
85.02910	12.4
87.04432	0.4
91.03967	0.7
91.05453	0.2
95.04951	0.1
97.02898	0.9
99.04422	0.4
101.05971	0.1
105.03373	0.2
107.04954	0.2
109.02843	0.3
111.00817	0.5
111.04440	1.3
113.05980	0.3
117.05453	0.4
117.52002	0.1
121.02872	1.9
123.04418	0.2
127.03928	0.6
129.05493	3.6
131.31766	0.1
133.02892	0.5
135.04350	0.2
137.02275	0.4
139.03883	0.1
145.04936	0.3
147.04395	0.4
147.06516	1.2
153.01836	2.0
153.05463	0.3
156.26707	0.1
157.06541	0.2
163.06033	0.2
165.01820	1.2
166.55151	0.1
171.04436	0.2
171.06541	0.2
183.02899	0.6
185.05957	0.2
197.06030	0.1
201.07472	0.1
205.05377	0.1
213.05490	0.8
231.06583	0.5
239.09138	0.5
241.04890	0.5
243.06670	0.1
257.10266	0.2
258.05258	0.8
259.05991	0.4
269.04407	0.1
275.11334	0.3
287.05505	100.0
288.05832	2.3
299.05557	0.7
300.72635	0.1
325.07104	0.2
329.06506	1.1
329.09341	0.1
353.06442	0.4
379.08270	0.3
395.07675	0.1
397.09274	0.5
415.10233	0.5
433.11243	1.0
449.10831	26.6
450.11133	0.8
595.16846	0.5
611.16046	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	903.2773
Annotation	Unknow
Peak:m/z	Relative Intensity
67.12567	0.1
68.99802	0.3
69.03436	1.3
69.93204	0.1
71.01357	0.3
71.05003	9.3
71.05370	0.3
71.12057	0.2
71.50718	0.2
73.02930	0.8
75.04451	0.6
75.14284	0.1
81.03405	0.4
83.04582	0.1
83.04990	1.7
85.02917	13.0
86.03246	0.2
87.04447	0.4
95.04935	0.3
97.02898	1.2
99.04453	0.4
107.04903	0.3
109.02863	0.6
109.06525	0.2
111.00766	0.3
111.04442	1.1
113.05997	0.2
115.05356	0.2
117.05478	0.3
121.02888	1.8
121.06494	0.1
127.03939	0.8
129.05502	3.1
133.02827	0.6
137.02332	0.5
145.04950	0.6
147.04390	0.6
147.06549	1.2
153.01843	1.8
153.05463	0.2
157.06432	0.2
163.06015	0.6
165.01851	1.0
171.06508	0.2
183.02901	0.6
185.05956	0.2
213.05560	0.7
231.06532	0.4
231.08598	0.2
239.09143	0.3
241.05014	0.7
245.04475	0.2
257.10217	0.2
258.05310	0.7
259.06082	0.3
269.04303	0.1
287.05536	100.0
288.05881	2.3
299.05579	0.7
300.06229	0.2
303.04999	0.3
311.05600	0.3
313.46692	0.2
329.06610	1.3
340.85434	0.2
353.06534	0.5
373.67175	0.1
397.09280	0.7
415.10349	0.2
433.11273	1.2
449.10876	28.0
450.11237	1.0
595.16553	0.5
611.16162	0.6
939.62213	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	893.4873
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05510	3.0
69.03436	3.6
69.07058	0.8
69.85378	1.8
71.01344	0.5
73.02917	3.2
79.05499	1.8
81.03419	1.3
81.07063	3.8
81.22186	0.4
83.08613	0.7
85.02910	5.5
86.35466	0.4
87.25961	0.4
90.61445	0.4
91.03950	3.9
91.05501	1.4
93.07050	2.8
95.04969	0.4
95.08612	1.6
97.02900	5.3
97.06510	0.6
98.21460	0.7
99.04458	0.6
101.02405	1.5
105.07085	0.5
107.08619	1.6
109.02913	0.7
109.10185	0.9
111.08062	0.6
113.41556	0.4
117.07040	0.5
119.08605	0.8
119.10088	0.4
121.10172	0.9
127.03937	1.6
133.10191	0.8
135.11737	0.9
135.19751	0.3
149.13312	1.6
158.29784	0.5
203.05171	0.4
205.61801	0.4
220.16072	0.4
235.13039	0.6
243.08446	1.9
269.17627	0.5
291.15884	0.6
347.09622	1.5
363.09299	0.5
365.10721	0.9
375.71500	0.4
390.70261	0.5
405.13736	5.2
441.89590	0.5
453.20990	7.5
453.26788	0.7
489.64389	0.4
519.29401	3.2
615.26154	6.5
681.34882	3.6
731.43640	1.5
789.06525	0.5
855.53284	0.4
893.48688	100.0
894.49261	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	898.5738
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05511	25.1
69.03448	1.4
69.07065	5.8
71.04997	11.7
71.08253	0.9
71.08638	15.5
71.16360	0.9
73.02924	1.7
79.05500	6.1
81.03434	1.1
81.07064	52.3
82.05265	0.7
83.04978	2.3
83.08620	7.8
85.02911	8.8
85.06570	4.8
85.10187	9.0
89.49387	0.9
91.03973	5.2
91.05487	8.3
93.07070	6.9
95.08614	16.1
97.02894	3.4
97.06544	1.2
97.10180	3.9
99.11707	0.9
105.07030	3.7
107.08617	5.2
109.10175	9.4
119.32623	0.8
121.10150	2.1
123.11727	10.2
127.03927	1.4
131.08543	1.7
133.10133	9.6
135.11726	1.2
137.13397	1.0
145.04993	1.5
149.13278	2.1
151.11195	5.1
159.11679	1.9
163.06090	2.4
177.12691	1.9
183.13821	2.4
187.13333	3.5
195.13838	1.3
218.88161	0.9
239.23679	1.2
257.17636	1.8
265.57407	1.0
269.17435	3.7
301.20163	12.9
313.27386	14.6
481.38940	64.6
482.38989	2.6
495.40341	2.0
507.40460	6.2
539.43134	100.0
540.43298	4.6
683.47552	1.2
738.79840	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	891.3286
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03947	5.0
66.07476	0.6
66.96021	0.6
69.03429	2.7
71.51880	0.8
73.02912	0.8
78.04700	2.5
79.05474	2.7
81.03403	1.2
82.04198	1.2
82.12270	0.8
85.02901	7.1
85.09412	0.8
91.05486	6.2
93.03392	2.4
94.04140	0.7
95.01350	1.3
95.05009	1.1
97.02897	2.9
99.04462	0.8
101.41520	0.7
103.05465	4.7
105.07034	3.7
106.04173	0.7
107.04967	4.3
108.02124	0.9
109.02863	0.8
110.03690	4.0
111.04426	3.8
115.05463	2.5
117.06985	1.5
118.04158	1.4
118.21153	0.6
119.04961	5.1
119.08597	2.1
122.03664	1.1
123.04456	4.0
124.05174	2.0
125.05996	6.9
127.03940	1.8
128.06219	2.7
129.07018	3.0
131.04909	5.7
132.05676	2.0
133.02849	3.2
133.06491	3.3
135.04366	0.8
137.05972	9.2
141.06992	1.4
143.04964	1.7
144.05708	2.1
145.06409	1.6
147.04420	7.0
147.08069	2.5
148.05177	0.8
149.05991	1.8
151.03870	2.0
151.07582	3.6
152.04677	1.5
153.05478	21.9
153.06746	1.3
155.04886	1.2
157.06468	1.1
159.08078	4.4
160.05237	1.9
161.06010	5.2
163.07552	2.2
165.05507	1.1
167.07047	72.8
168.05746	1.0
169.06483	1.5
171.04427	1.1
171.08084	0.7
173.06004	2.0
175.07556	17.7
176.04712	1.8
177.05453	1.1
178.07799	1.0
179.07056	7.0
181.04945	2.0
183.06627	1.2
184.05177	1.9
185.06027	1.6
186.06747	2.2
187.07576	10.3
189.05469	2.6
189.06915	1.4
189.09065	0.9
190.07755	1.8
191.07033	7.4
191.08577	1.6
193.06619	0.8
193.08607	4.0
194.07179	0.8
199.07559	10.2
201.09091	1.1
202.07803	3.0
203.06946	1.0
203.08572	4.8
205.06483	3.0
206.07275	2.3
207.06444	1.1
207.08142	1.3
209.09753	0.7
215.06865	1.7
215.08658	2.3
216.07805	3.0
217.06584	1.2
218.07268	3.2
219.08060	8.6
220.08881	3.0
221.05965	2.2
221.09663	2.3
222.06818	0.8
229.08621	2.7
230.07291	1.3
231.08063	6.0
232.08751	1.8
233.06020	2.3
233.09631	3.4
234.06766	2.5
234.10439	0.8
235.07628	5.3
236.08344	4.8
237.09122	2.8
243.08224	0.9
245.05959	1.4
246.06775	2.4
247.07617	7.6
248.08321	6.3
249.05580	0.8
249.09012	4.5
250.06137	0.8
250.09738	0.8
251.06969	1.4
251.10713	7.3
253.08693	1.2
258.06754	2.2
259.07571	4.4
260.08334	3.1
261.05530	2.5
261.09137	5.6
262.06174	1.0
262.09900	1.5
263.07095	3.4
263.10608	3.9
264.07861	7.3
264.10504	1.1
265.08615	11.4
273.09161	4.3
274.06342	1.7
275.07135	4.0
276.07782	10.4
277.08618	7.0
278.09348	3.6
279.10138	4.9
280.07394	1.1
280.10861	0.8
281.08069	3.2
281.11246	1.2
287.06924	0.9
288.07794	2.4
289.05420	1.3
289.08545	6.2
290.09348	6.3
291.06912	1.1
291.10089	8.7
292.07391	2.0
292.10651	1.3
293.08090	7.3
293.11652	2.7
294.08719	1.5
295.09744	1.2
296.10431	1.6
301.08527	4.2
303.06604	0.9
303.10199	1.2
304.07434	5.4
305.08176	4.3
305.11270	0.9
306.09024	1.9
307.09689	16.6
308.10397	6.8
309.11179	3.6
311.09579	1.2
311.12796	10.5
312.13492	0.8
319.09662	35.7
320.10400	8.2
321.07645	1.3
321.11102	7.7
322.11832	0.8
323.09366	1.4
323.12823	9.1
324.09879	1.4
324.13348	1.2
336.09888	2.0
337.10687	1.4
339.12274	50.2
340.12619	2.1
341.13809	6.4
351.12274	100.0
352.12793	4.4
353.13889	6.5
355.15457	1.8
369.13409	8.7
471.18143	0.8
489.18817	1.5
501.19470	1.5
637.74036	0.8
899.54559	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	891.3291
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03954	5.3
67.05499	1.0
69.03428	3.1
71.41056	1.2
71.73869	0.7
76.20292	0.6
78.04691	2.1
79.05511	3.1
81.03416	1.9
82.04210	0.8
85.02926	5.8
91.05486	6.6
93.03392	3.6
95.04954	0.7
97.02878	1.6
102.04659	0.7
103.05476	3.7
104.05801	0.6
105.03391	0.8
105.07045	4.1
105.99097	0.6
106.04160	1.4
107.04959	4.6
109.02862	0.7
110.03687	4.3
111.04461	3.4
115.05460	3.5
115.11842	0.6
117.07001	1.4
118.04163	1.6
119.04948	4.7
119.08604	1.8
121.02897	0.8
121.06475	1.2
123.04430	4.2
124.05239	1.6
125.06005	6.2
128.06236	2.4
129.07004	3.6
131.04962	4.6
132.05690	2.1
133.02844	2.2
133.06525	3.6
134.03654	1.3
136.05202	1.3
137.05998	9.2
139.71283	0.6
141.07010	1.1
143.04897	0.9
144.05730	1.5
145.06508	1.8
146.07361	0.9
147.04437	5.7
147.08061	2.2
149.06030	1.5
151.03984	1.4
151.07536	2.2
152.04710	1.2
153.05476	20.0
153.06750	1.2
156.05652	1.2
157.06479	0.9
159.08076	6.4
160.05190	2.3
161.05974	5.7
161.09581	0.8
163.07593	2.4
165.05435	1.1
167.07056	71.9
168.05719	0.7
168.07224	0.6
169.06493	1.9
171.04414	1.3
171.07825	0.8
173.06013	1.9
175.07578	17.6
177.05434	2.0
178.07748	1.4
179.07089	6.1
179.92776	0.6
181.04974	1.6
183.06512	1.0
184.05147	1.0
185.05989	1.2
186.06725	2.0
187.07568	10.7
189.05484	2.4
189.07028	1.4
190.07825	2.1
191.07040	9.6
191.08638	3.7
192.06123	0.7
193.06920	0.8
193.08603	3.4
199.07568	13.0
201.09090	1.6
202.07719	3.5
203.08566	4.7
204.09267	0.8
205.06497	3.0
206.07266	2.3
207.06444	1.4
207.08156	1.3
215.08646	2.0
216.07854	1.8
218.07333	4.4
219.08047	8.6
220.08870	3.1
221.06059	1.4
221.09650	2.5
222.06729	1.1
223.07515	0.9
229.06416	0.9
229.08656	2.1
230.07324	1.9
231.08069	5.2
232.08871	2.3
233.05983	2.7
233.09647	4.0
234.06783	2.6
235.07599	4.6
236.08328	4.8
237.09134	2.8
243.08119	1.5
245.05948	1.0
245.09712	1.0
246.06770	2.9
247.07550	6.5
248.08371	7.0
249.05443	1.2
249.09151	7.1
250.06412	1.5
250.09761	1.0
251.07062	1.2
251.10721	7.0
253.08685	1.4
258.06830	1.2
259.07565	3.3
260.08356	4.2
261.05490	3.3
261.09183	4.2
262.06473	1.2
262.09885	1.7
263.07062	3.9
263.10794	4.3
264.07843	6.4
264.10522	1.1
265.08618	11.7
266.09259	0.9
267.09570	0.6
273.05179	0.6
273.06580	0.7
273.09094	5.4
274.06308	1.0
275.07138	3.7
275.10196	1.1
276.07831	12.7
277.08603	5.6
278.09384	3.0
279.07291	1.1
279.10172	4.5
280.10983	1.2
281.08179	2.4
281.11664	2.9
287.07016	1.2
288.07779	2.2
289.05386	0.8
289.08588	7.3
290.09430	5.4
291.06619	1.9
291.10193	10.0
292.07397	2.2
292.10849	1.8
292.59329	0.7
293.08118	6.4
293.11771	1.9
295.09708	1.4
295.13031	0.8
301.08594	3.7
303.10056	1.0
304.07434	6.1
305.08279	4.2
305.11356	1.1
306.08884	2.8
307.09647	16.2
308.10431	8.9
309.11282	2.8
311.12820	10.1
318.08823	0.9
319.09668	33.0
320.10327	7.3
321.07837	0.9
321.11261	6.7
322.12021	1.0
323.09451	0.9
323.12836	13.0
324.09808	2.2
324.13461	1.2
336.09912	2.0
337.10703	2.6
337.14371	1.6
338.11450	1.3
339.12292	55.9
340.12698	1.8
341.13824	5.1
351.12308	100.0
352.12625	4.5
353.13797	7.8
355.15454	1.6
369.13275	8.7
489.19107	1.3
499.17355	0.9
501.18643	0.8
903.33856	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	888.5327
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03951	3.1
67.05518	55.9
68.05811	1.0
69.03437	2.2
69.06729	1.2
69.07079	16.7
71.00964	1.5
71.04993	2.6
71.08645	1.4
73.02915	3.1
74.88825	0.6
79.05508	38.7
81.03442	3.6
81.07071	70.5
82.07404	1.0
83.04992	4.4
83.08627	11.6
85.02919	14.0
85.06552	2.9
91.03969	9.0
91.04498	1.1
91.05494	25.9
93.07059	48.9
94.07381	0.9
95.04977	4.9
95.08621	33.4
95.74798	0.7
97.02911	7.7
97.06541	6.5
97.10173	2.6
99.04460	0.8
99.08110	1.4
103.61365	0.6
105.04505	1.5
105.07047	12.5
107.08614	27.3
109.02908	0.8
109.06543	1.7
109.10172	11.5
111.08102	3.7
117.07039	8.6
119.08601	7.9
121.06544	1.4
121.10165	18.5
123.08084	1.2
123.11729	5.8
127.03939	3.2
129.07014	0.8
131.08594	12.0
133.10150	14.7
135.08102	1.0
135.11710	12.2
135.12711	0.9
137.13298	1.2
143.08607	0.7
145.05011	5.2
145.10159	5.0
147.11740	4.0
149.09676	1.0
149.13271	14.1
151.11267	1.1
153.49423	0.7
157.10182	1.5
159.11714	8.7
161.13297	2.7
163.06036	3.7
163.14867	1.5
171.11734	0.8
173.13263	3.7
175.14867	1.2
177.12816	3.2
179.14217	0.8
182.76486	0.7
185.13184	0.8
187.14880	1.8
195.13843	8.9
213.14909	1.8
243.21204	2.9
253.18030	1.1
259.20779	0.6
261.22226	9.8
267.15942	1.7
269.17526	72.3
270.17859	1.5
311.23734	0.7
317.24725	3.3
333.24380	0.7
335.25854	67.9
336.26144	2.6
413.21930	0.8
419.33301	1.4
437.34198	3.8
455.35446	1.9
473.36322	1.2
507.78738	0.6
511.37933	3.1
529.38977	100.0
530.39441	6.4
547.39911	2.8
673.43396	1.0
860.99646	0.7
888.49585	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	887.4976
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05497	1.6
69.03427	2.3
69.43631	0.8
69.43931	6.3
71.08634	1.4
73.02917	2.0
81.03429	1.4
81.07069	3.5
83.08620	1.1
85.02919	5.4
91.03973	2.7
91.05469	1.2
95.08595	1.5
97.02898	4.1
98.21412	2.1
101.02371	2.0
105.07038	1.3
108.87662	0.7
111.79298	0.8
119.08611	0.8
127.03944	1.6
134.96092	0.8
147.11670	1.7
154.19438	0.8
185.04375	1.0
203.05356	1.3
243.08522	2.2
251.12813	1.0
347.09470	3.8
405.13971	2.9
469.20575	11.8
497.31094	4.2
631.25763	6.9
659.36139	3.0
725.45258	1.2
770.60156	0.9
843.49561	0.9
874.08960	0.9
887.49762	100.0
888.49237	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	888.5327
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03926	2.2
67.05510	59.9
69.03399	2.0
69.07073	17.2
71.05000	3.8
71.08606	0.8
73.02895	2.8
79.05498	39.2
81.03393	2.4
81.07062	66.7
83.04970	4.9
83.08172	0.7
83.08624	11.0
85.02912	10.1
85.06520	2.8
91.03954	5.2
91.05483	21.2
93.07048	57.5
95.04976	3.9
95.08612	32.5
97.02901	4.7
97.06523	7.7
97.10144	1.8
98.21526	1.5
99.04453	1.3
99.08073	2.4
105.04464	0.9
105.06384	1.0
105.07030	9.4
106.46865	0.6
107.08599	33.0
109.06503	2.4
109.10162	9.8
111.08098	5.0
113.09619	0.8
117.07012	6.8
119.08596	6.1
121.06544	0.8
121.10149	20.3
123.11742	3.4
124.31010	0.7
127.03906	1.8
129.06978	1.1
130.07759	0.8
131.08585	10.1
133.09235	1.0
133.10139	9.3
135.08058	0.8
135.11703	10.4
137.13191	0.7
139.11169	1.7
139.72067	0.6
145.04933	2.2
145.10127	5.2
147.11702	5.3
149.13269	23.7
151.11099	1.2
159.11690	11.2
161.13254	1.9
163.06023	2.3
163.14848	1.8
173.13237	2.2
175.14763	0.7
177.12721	4.7
187.14841	0.8
195.13834	7.5
229.22726	0.8
243.21083	1.7
261.22134	9.3
267.15921	2.7
269.17493	98.4
270.17804	2.2
317.24704	1.2
320.84134	0.7
335.25809	52.4
336.26138	1.7
437.34253	1.7
455.35309	0.8
473.36301	0.9
511.37894	0.9
529.38916	100.0
530.39362	5.2
547.40125	2.9
734.11902	0.7
811.29913	0.8
888.49982	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	887.2822
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99803	0.2
69.03435	0.9
70.40073	0.3
70.40466	0.2
71.01344	0.2
71.05003	9.6
73.02925	1.0
74.44138	0.1
75.04466	0.5
80.26273	0.1
81.03422	0.1
83.04996	2.5
85.02914	13.5
86.04607	0.1
87.04470	0.4
91.03968	0.4
95.04967	0.3
97.02901	0.6
99.04465	0.4
99.18134	0.1
99.36634	0.2
101.05965	0.2
107.04988	0.2
109.02852	0.4
111.00814	0.4
111.04464	1.5
113.05913	0.1
116.08332	0.1
117.05504	0.5
121.02878	1.2
122.40531	0.1
123.04475	0.1
127.03912	0.6
129.05501	4.1
133.02878	0.2
136.74463	0.1
145.04930	0.3
145.06599	0.2
147.04419	0.5
147.06534	1.6
153.01840	1.4
153.05467	0.5
157.04962	0.2
159.06459	0.1
161.05949	0.2
163.06067	0.4
165.01866	0.9
171.06546	0.2
183.02898	0.5
185.06010	0.3
189.05457	0.2
201.07617	0.2
213.05461	0.8
213.07414	0.2
231.06535	0.4
239.09169	0.6
241.05019	0.5
255.08643	0.2
257.10220	0.2
258.05267	0.7
259.06155	0.2
269.04541	0.2
270.19318	0.1
275.11276	0.4
286.04645	0.2
287.05527	100.0
288.05853	1.8
293.12317	0.3
299.05481	0.4
329.06625	0.8
353.06528	0.5
397.09250	0.3
415.10373	0.2
433.11371	17.0
434.11633	0.6
449.10611	0.4
595.16565	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	883.208
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03940	2.9
65.36963	1.0
67.05492	1.2
68.99793	10.6
71.51794	1.9
71.56821	1.0
77.03931	1.5
79.05488	2.6
81.03403	3.6
83.04965	1.6
85.02905	3.2
88.51904	1.1
89.03903	1.4
91.05486	2.2
93.03426	1.9
95.04986	3.0
99.04446	1.6
101.08767	1.1
107.04961	5.4
109.02893	5.2
111.00819	10.6
111.04465	7.6
115.05486	2.5
117.03342	1.1
119.05006	2.0
121.02884	3.0
123.04437	54.9
127.03925	100.0
128.04272	1.5
131.04922	3.2
135.04428	58.7
136.04823	1.2
137.02315	4.3
137.05974	1.3
139.03912	76.0
141.06976	2.1
145.02956	1.8
147.04414	8.9
149.02356	7.8
149.05998	2.0
151.03912	23.9
155.03389	2.5
155.55127	1.1
157.06551	1.6
159.04445	4.7
161.06012	4.0
163.03915	59.9
164.04233	1.2
165.05496	3.9
167.03407	4.8
169.05014	3.0
169.06514	2.9
171.04483	1.4
173.05966	4.5
175.03915	6.3
177.05435	9.3
179.03398	20.0
181.04912	2.9
183.04465	2.3
185.05966	2.4
187.03854	6.6
187.07607	1.7
189.05453	5.3
191.03426	11.7
193.05017	2.8
197.06009	5.1
199.03871	1.4
201.05473	8.5
203.03406	19.5
203.07004	1.5
205.04987	2.8
211.03944	1.5
212.12276	1.0
213.05450	5.7
215.03494	3.6
215.06998	2.6
217.04970	3.8
217.76654	1.0
219.06526	2.0
223.02458	1.3
225.05470	2.1
227.03403	1.6
229.04990	12.2
231.02963	1.6
231.06497	2.2
233.04510	5.5
237.05618	2.9
241.04971	4.3
243.06569	3.8
245.04474	78.9
246.04848	1.9
247.06035	51.1
251.05452	1.3
253.04979	4.1
255.06564	4.9
257.04443	18.0
259.06033	13.0
261.07727	2.6
263.05499	9.7
265.05075	2.7
269.04428	6.6
271.06033	24.9
273.07520	1.6
274.04715	3.9
275.05496	24.2
281.04428	3.0
283.06058	18.5
285.03867	3.6
287.05478	32.0
289.07104	30.6
291.08600	3.9
297.04062	2.5
297.07425	1.6
299.05508	6.8
301.07062	14.9
305.06577	3.4
307.08304	8.8
309.03958	2.4
311.05545	2.9
313.07220	2.4
317.06329	1.5
323.05569	3.3
329.06754	1.4
337.07031	1.7
341.06485	1.8
351.05023	2.7
361.06943	2.0
365.06808	2.1
377.06628	2.2
379.08212	2.9
383.07523	3.7
389.06412	2.4
393.06381	5.1
395.07773	2.3
397.09100	6.2
405.05963	4.4
407.07571	25.5
409.09247	20.1
410.09351	1.8
413.08649	1.9
419.07578	4.3
421.09131	1.6
425.08670	15.7
427.10294	12.4
433.09424	1.5
437.08768	7.3
439.10175	1.4
443.09686	3.7
449.08557	3.0
451.10596	5.1
467.09860	1.5
469.11081	1.1
515.63586	1.1
516.05847	1.2
517.11414	2.1
527.09766	2.9
533.10773	1.2
535.12396	1.2
545.10645	4.3
557.10785	1.9
561.10510	1.6
631.82953	1.2
713.14990	2.3
715.15826	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	882.5422
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03921	1.0
67.05509	21.4
69.03402	1.8
69.07071	13.9
70.18816	2.1
70.19155	0.6
71.04956	1.9
71.08636	19.2
71.74595	0.5
73.02894	1.8
73.06499	0.5
73.31512	0.5
75.04443	0.7
79.05080	0.5
79.05496	8.3
81.03421	1.0
81.07060	62.0
81.90405	0.5
82.07336	0.6
83.04580	0.4
83.04980	4.8
83.08627	12.1
85.02911	12.3
85.06555	3.4
85.10188	12.2
87.04466	1.3
89.06005	1.0
90.23943	0.5
91.03968	6.9
91.05481	15.9
91.67561	0.4
93.06499	0.5
93.07041	8.4
95.04948	1.4
95.08610	25.8
96.82105	0.6
97.02912	5.1
97.06531	4.4
97.10168	4.0
97.50679	0.5
98.21432	0.7
99.04455	1.1
99.07455	0.6
99.08071	3.5
99.11713	1.0
101.06020	1.1
103.07571	1.2
103.74145	0.5
105.07035	23.6
107.07996	0.6
107.08602	8.2
109.02877	0.9
109.06504	3.7
109.09493	0.6
109.10162	6.8
111.08057	0.6
111.81886	0.5
113.05979	1.0
117.07028	0.6
119.08591	19.7
121.09337	0.8
121.10154	14.8
123.08097	3.5
123.11714	25.8
125.09574	0.5
127.03934	3.3
127.07515	2.1
129.07021	1.0
131.08493	0.7
133.10107	2.4
137.09621	1.1
137.13307	2.6
139.11264	0.6
141.09076	1.0
145.04961	2.6
147.11697	53.2
148.11955	1.3
157.10092	1.7
163.06018	2.6
165.12762	20.7
175.11191	1.9
183.13766	1.4
193.12204	1.1
229.14362	3.8
239.23663	2.4
257.24783	1.5
267.15930	84.0
268.16388	1.4
285.16977	92.4
286.17313	2.2
313.27380	94.3
314.27710	2.1
331.28397	1.5
523.39978	100.0
524.40326	4.6
713.38257	0.6
819.37201	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	882.5431
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03943	1.0
67.05512	17.5
69.03438	3.4
69.07071	9.0
71.04993	2.9
71.08641	17.7
73.02925	4.0
76.93281	0.4
79.05499	13.8
81.03428	38.9
81.07067	23.1
81.07764	0.7
83.04993	8.9
83.08629	20.3
85.02916	24.9
85.06506	1.3
85.10196	10.2
87.04455	1.1
88.57765	0.5
89.06004	1.4
91.03972	7.2
91.04913	1.0
91.05489	19.5
93.07061	10.5
95.04981	16.2
95.08622	17.4
97.02906	7.8
97.06535	2.8
97.09661	0.4
97.10178	4.8
99.04451	0.8
99.08081	1.0
99.11763	0.6
103.07536	0.8
103.34986	0.4
105.07044	12.1
107.04431	0.4
107.04971	5.0
107.08623	4.0
109.06521	2.6
109.10163	6.5
109.17142	0.4
111.04432	1.5
111.08093	6.1
111.11729	0.6
113.06015	1.3
115.05443	1.2
117.07012	1.1
119.04916	0.5
119.08593	12.1
121.06517	1.1
121.10159	5.1
123.08047	1.3
123.11712	3.5
125.09613	1.2
127.03933	2.5
127.07536	0.7
129.07022	6.3
131.07742	0.5
131.08588	6.7
133.06471	1.7
133.10143	7.9
135.11748	0.6
137.09621	1.2
137.13194	0.6
138.27072	0.4
142.07768	1.3
145.05003	2.0
145.10085	1.3
147.08032	2.7
147.11705	9.7
149.09647	4.5
157.10141	9.9
163.06004	2.8
163.11194	1.1
164.86259	0.4
165.12715	1.0
175.09779	0.7
175.11212	10.5
193.12262	28.4
194.12634	0.7
198.18109	0.5
211.13315	46.0
212.13699	0.6
239.23705	2.0
249.14790	0.9
257.24789	1.2
267.13049	0.7
267.15939	17.1
285.17001	64.3
286.17310	1.4
313.27405	65.9
314.27621	1.7
329.02100	0.5
505.38864	14.4
506.39948	0.5
523.40015	100.0
524.40216	4.1
627.59247	0.5
875.50690	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	871.5026
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02929	5.5
65.10812	0.4
66.31070	0.4
67.05517	2.3
69.03426	2.7
69.07077	0.9
71.08654	1.0
71.51384	0.5
73.02921	3.1
79.05508	1.5
81.03423	1.8
81.07048	2.7
82.29228	0.5
83.08627	1.5
85.02906	4.9
85.10207	0.6
87.17075	0.4
91.03960	3.0
91.05498	0.8
93.07069	1.5
95.08636	1.7
97.02896	5.1
97.06539	0.5
99.04451	0.6
99.11671	0.5
101.02418	1.3
105.11925	0.5
107.08624	1.1
109.02887	0.6
111.08166	0.6
115.27650	0.5
122.35792	0.5
127.03934	1.6
149.13289	1.9
159.11792	0.6
181.42287	0.5
185.04245	0.8
186.97337	0.4
196.72147	0.4
203.05220	0.6
212.77742	0.4
216.31227	0.4
235.13046	0.6
243.08409	2.2
291.15881	0.5
313.27701	0.9
347.09622	2.2
365.10815	0.6
373.02975	0.5
405.13760	3.7
453.21005	8.1
497.30719	3.9
615.26263	6.0
659.36530	3.4
709.45209	1.8
725.50372	0.5
871.50250	100.0
872.50812	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	869.3839
Annotation	Unknow
Peak:m/z	Relative Intensity
62.30382	0.2
65.03939	0.2
67.05526	0.3
68.05021	0.5
69.03429	0.4
69.07075	1.8
70.02953	1.8
70.06600	100.0
70.69214	0.6
71.06929	0.7
77.03972	0.3
79.05515	0.4
81.03426	0.4
82.06609	0.5
83.07377	0.4
83.85385	0.2
85.02913	0.6
85.04029	0.3
86.09715	13.1
87.05597	1.9
88.04022	0.2
91.05489	6.3
91.06015	0.5
93.07059	0.3
93.11593	0.2
95.04993	0.3
97.02911	0.4
97.04049	0.5
97.07680	0.7
98.02444	0.8
99.05576	0.3
102.57204	0.2
103.05495	1.9
103.83432	0.2
104.51277	0.2
105.03413	0.9
105.07071	0.3
106.06576	1.2
107.04961	4.1
109.06478	0.3
109.07654	2.0
110.02441	0.4
111.04453	0.2
111.09230	0.3
111.57600	0.3
113.03519	0.4
115.08694	1.5
117.05783	0.5
118.06556	11.8
119.04958	2.2
119.07368	1.0
120.08129	3.0
121.02930	0.3
122.06049	0.6
123.04509	0.4
124.08722	0.6
125.03520	0.3
125.07158	1.3
127.05105	1.0
127.08694	27.2
130.06590	1.3
131.04942	3.0
132.04446	0.3
132.08138	0.8
134.06032	7.9
135.06851	0.6
136.07593	6.6
137.06055	0.5
137.07086	3.4
138.05565	0.9
138.07893	4.4
138.08879	0.4
139.08678	0.6
141.01968	0.3
141.03011	0.9
142.06129	1.2
144.08118	0.5
145.06534	0.5
145.07657	0.4
146.06024	23.3
147.04474	0.5
147.06375	0.5
148.07625	0.7
152.08231	0.4
153.06650	0.9
153.09048	0.7
154.09778	0.5
155.04662	0.2
155.08174	8.3
157.07651	0.5
158.06065	0.8
160.03952	0.2
160.07611	0.8
162.05518	6.8
163.08711	0.8
165.05475	0.7
167.07057	0.5
170.05753	0.5
170.09767	0.3
172.07626	1.1
172.11179	1.6
173.05917	0.5
173.07213	1.1
174.05531	1.1
174.09230	0.3
175.08711	0.4
179.08537	0.3
180.26439	0.3
182.08144	1.4
185.10811	0.4
186.05530	0.4
187.08713	0.6
187.12428	0.4
188.07014	1.8
189.06613	1.3
190.12367	0.4
191.08293	0.7
194.09335	0.5
197.07249	0.5
197.10837	0.3
198.05602	0.7
198.09070	0.3
199.12352	0.6
201.06773	0.3
203.08376	0.4
204.13747	0.4
205.09804	0.5
206.09642	0.3
207.08064	0.9
211.12335	0.4
213.06686	0.3
214.05020	0.5
215.08366	1.1
215.11816	1.3
216.06560	2.5
216.08182	0.2
217.06113	1.3
217.13377	2.7
219.07996	0.3
220.13367	0.8
222.09348	0.4
224.10692	0.9
225.10223	1.8
226.11099	0.3
227.11897	0.3
231.07739	0.9
231.11308	3.0
232.10933	1.0
233.09248	1.1
234.09203	1.4
236.10820	0.9
241.06111	0.3
243.07794	0.4
243.11343	2.4
246.09230	0.8
247.14375	1.4
248.10722	0.4
248.12857	2.0
250.08501	0.2
250.09441	0.3
250.11852	2.1
252.10181	0.7
254.12921	4.5
255.11269	0.5
256.14499	3.5
257.12900	0.5
259.07285	1.9
259.10971	0.3
260.10339	7.6
262.08774	0.7
263.11874	0.3
272.10550	0.3
272.14124	0.3
274.15607	1.0
275.13919	7.5
276.09845	5.0
282.12433	3.8
286.10739	2.4
287.05615	1.1
288.10294	0.6
295.16724	1.0
298.08356	0.4
299.11005	0.3
300.13461	24.0
301.14084	0.7
302.07840	0.6
316.09641	0.6
320.16547	0.4
321.14670	1.7
369.15451	1.1
376.12930	0.5
378.14316	0.6
389.18228	3.4
390.18546	0.3
397.15091	1.4
399.19083	2.2
404.16385	0.5
413.15106	0.8
414.17566	0.6
421.15320	0.8
424.16812	0.4
432.83063	0.3
434.17160	0.3
444.15643	0.3
454.17554	0.5
506.24280	0.4
530.20569	0.9
532.22089	2.0
534.23792	0.5
547.23883	0.3
549.24628	1.9
550.22418	0.5
553.22845	0.5
557.21448	0.6
558.20166	1.9
570.26117	1.3
575.22437	3.1
576.22528	0.3
643.28754	0.7
670.29535	0.5
671.28412	1.3
688.30988	1.1
715.31177	1.8
728.33105	0.8
755.33905	0.4
812.36304	1.3
824.36102	0.4
851.36804	0.5
852.35297	2.7
869.38324	13.7
870.38794	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	869.3453
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02906	2.5
67.05492	1.9
69.03412	8.5
69.55031	15.0
74.75415	2.1
79.05491	2.5
81.03447	4.6
83.04971	3.8
85.02906	17.8
91.05476	4.5
93.07027	3.1
94.06573	10.0
95.07367	3.2
96.08128	10.0
97.02885	8.3
103.05461	11.3
105.07076	2.6
108.08127	23.1
110.09696	14.7
111.04427	3.8
119.04958	2.7
120.04471	2.3
120.08115	17.7
122.06020	28.6
122.09645	6.1
124.07607	2.2
127.03889	3.1
131.04933	20.5
136.06642	3.6
136.07588	35.8
138.09142	23.0
147.04347	5.6
148.07541	12.5
148.49030	2.7
150.09138	8.7
166.08632	34.1
209.10724	5.1
221.10738	3.4
223.08806	2.9
225.10188	4.0
235.08612	6.8
236.09375	7.2
237.10205	26.3
239.11938	3.0
248.09384	3.6
249.10242	40.9
250.10950	9.7
251.11855	17.1
253.09712	5.1
261.10205	6.5
261.48581	2.1
263.08127	5.0
263.11890	6.1
264.08994	17.0
265.09726	26.3
266.10516	4.1
267.11346	13.4
269.09097	3.1
276.08884	3.3
277.09717	33.2
278.10486	16.2
279.08206	3.7
279.11249	28.4
280.11887	3.0
281.09167	8.5
281.12637	2.8
282.10110	3.6
283.10797	2.9
287.05618	2.9
289.09622	4.2
291.07779	4.7
291.11157	9.3
292.08362	8.9
292.11884	4.9
293.09155	41.4
293.12817	16.1
294.09799	4.4
295.10712	8.1
297.12302	3.9
298.12918	2.2
305.09256	21.5
306.09949	6.7
307.10794	24.6
309.08664	6.0
309.12347	14.2
310.12839	3.1
311.10156	7.0
311.13635	4.3
312.10965	2.9
313.12073	3.1
315.13614	2.7
319.10748	5.6
321.08289	2.6
323.10391	15.6
324.10977	3.9
325.11755	9.9
326.12500	2.8
327.09885	2.4
327.13364	12.4
328.14224	3.9
329.15274	2.6
333.08871	14.7
335.10339	2.8
337.11923	11.2
338.12775	3.2
339.09695	2.4
339.13486	34.2
340.14258	3.9
341.11475	3.4
342.12415	3.2
343.13034	4.0
351.09763	70.2
353.11264	5.0
353.15179	4.9
354.12146	3.4
355.12912	12.5
356.13864	8.3
365.11401	11.1
366.12015	14.4
367.12704	3.7
370.11557	4.3
370.15598	4.7
371.12344	17.5
372.12918	2.8
372.17300	3.7
382.11530	4.6
383.12384	39.7
384.13065	6.0
385.13922	12.4
386.14609	3.0
387.15607	2.6
388.16193	3.6
397.13974	22.1
398.14890	9.1
399.15445	9.1
400.16385	8.0
414.18274	3.4
416.16193	3.8
417.16589	2.7
418.17667	3.7
426.14389	3.4
428.16006	7.0
430.17630	2.9
442.17722	5.9
444.15588	6.3
446.17184	10.7
454.13998	16.3
458.17075	6.5
459.17130	3.0
462.19800	3.0
472.14865	27.7
474.16443	6.2
476.17899	4.1
478.19531	4.2
486.16617	11.2
490.19464	6.4
492.17511	22.9
504.17548	13.9
518.19220	31.3
519.19727	4.8
536.20325	38.7
550.21893	15.3
551.22321	3.4
568.22540	4.5
607.21533	4.0
611.24567	2.3
625.22833	11.4
639.24579	10.3
640.24567	3.8
643.24683	2.4
648.21265	3.1
657.25531	73.3
658.25470	6.8
662.22839	3.6
675.26495	11.7
680.24493	79.9
681.24481	15.1
686.29022	12.8
698.26105	4.3
712.26703	12.8
713.15796	4.5
713.27887	73.1
714.28027	4.9
730.28137	100.0
731.27576	6.3
819.29608	4.0
837.32056	11.7
869.33014	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	867.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03944	1.7
67.01871	0.6
68.46412	0.6
68.99793	8.8
69.83509	1.1
69.83916	2.5
77.03938	1.3
79.05499	1.2
81.03407	4.7
83.04992	1.2
85.02906	1.4
89.03928	1.7
91.05464	0.6
93.03411	1.6
95.04971	2.3
97.02906	0.7
99.04461	0.9
103.05450	0.7
103.31937	0.6
105.03392	1.3
107.04956	6.4
109.02872	4.7
111.00807	5.4
111.04446	6.1
115.05460	0.9
116.22090	0.6
116.73263	0.6
117.03418	1.6
118.19403	0.6
119.04948	2.5
121.02894	2.6
123.04431	52.4
124.04820	0.8
127.03922	100.0
128.04225	1.0
131.04964	3.5
133.02835	0.7
133.06529	1.1
135.04417	51.4
137.02327	5.8
137.06004	0.9
139.03905	45.6
141.07022	1.1
143.04938	1.7
145.02861	1.1
145.06512	1.6
147.04417	7.2
149.02345	6.8
149.06006	1.8
150.03081	0.6
151.03925	13.3
153.01839	0.8
155.04906	1.3
157.06493	0.7
157.32637	0.6
159.04413	4.5
161.02414	1.2
161.05989	4.3
163.03914	50.0
165.05472	4.9
167.03409	5.0
167.04675	0.9
169.04999	1.9
169.06523	2.4
173.06000	5.8
175.03879	3.1
177.05449	5.8
179.03395	8.8
181.04918	1.4
181.06445	1.3
183.04414	1.4
185.05890	1.3
187.03871	8.1
187.07544	0.6
189.05464	3.5
191.03404	8.7
191.07150	0.7
193.05048	1.6
197.06018	5.2
199.03926	0.8
201.05492	7.7
203.03401	11.8
203.06993	2.9
205.05000	2.7
207.02837	1.5
207.06583	1.1
213.05507	2.8
215.03438	2.3
215.07005	3.5
217.04863	2.8
219.06451	0.7
220.92773	0.6
225.05507	2.7
227.03511	0.9
229.04977	10.1
231.02866	1.0
231.06572	3.1
233.04500	3.1
237.05499	1.0
241.05014	2.3
243.02904	1.1
243.06535	6.4
245.04472	32.8
247.06027	42.4
248.06487	0.8
253.05072	3.6
255.06558	3.7
257.04443	12.9
258.05243	1.3
259.06006	11.8
259.08411	0.9
261.07706	2.8
263.05396	0.8
267.06546	0.9
269.04514	4.1
269.07172	0.9
271.06024	21.7
272.06354	0.8
273.04196	0.6
273.07571	2.2
275.05490	11.3
281.04498	3.1
283.06018	9.9
285.04272	0.8
285.07639	1.3
287.05524	17.1
288.05695	0.7
289.03864	1.2
289.07071	25.0
290.55365	0.6
291.08649	12.6
295.06021	3.5
297.03961	3.0
297.07318	1.1
299.05505	4.6
301.07108	13.6
303.05438	0.7
303.08582	3.4
307.06161	1.7
309.03949	2.6
309.07339	1.1
311.05566	2.7
313.07108	1.7
321.04163	0.8
321.07663	1.0
323.05713	3.4
325.06927	0.8
331.08392	1.2
337.06992	0.8
349.07101	0.9
351.04974	5.2
363.04883	1.0
365.06467	3.8
377.06595	2.3
379.08163	2.2
383.07648	6.6
389.06555	1.4
391.08115	1.7
393.05902	5.8
395.07645	4.2
397.09247	2.3
405.05911	3.7
407.07684	10.9
409.09207	23.4
411.10867	2.7
419.07590	3.1
421.09015	3.8
423.07071	1.0
425.08557	5.2
427.10205	11.5
433.09241	2.2
437.08664	4.6
439.10373	2.5
449.09021	0.7
451.10205	1.5
453.12042	1.3
517.11224	4.9
527.09540	3.7
535.12280	1.4
541.11127	0.8
545.10645	7.2
557.10791	0.9
559.12640	1.1
571.12012	1.3
577.12866	1.2
579.14642	3.1
589.13562	0.7
679.13507	1.0
697.15900	4.9
715.15613	1.1
858.32068	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	866.5476
Annotation	Unknow
Peak:m/z	Relative Intensity
60.05627	0.4
61.02929	7.3
65.03931	1.3
67.05509	35.5
69.03408	1.8
69.07072	14.2
69.07436	0.4
69.51023	0.4
69.70690	2.5
71.05000	2.9
71.08636	16.4
73.02930	2.5
79.05499	17.5
81.03391	1.7
81.07063	46.9
82.20984	0.4
82.40329	0.5
83.05005	3.0
83.08172	0.8
83.08624	13.2
85.02451	0.7
85.02911	9.1
85.06562	3.0
85.10190	10.4
89.06026	0.8
91.03956	4.8
91.04984	0.6
91.05488	8.6
93.07047	31.3
95.04936	2.0
95.08611	20.8
97.02898	4.4
97.06024	0.4
97.06542	5.7
97.10160	3.6
99.04369	0.5
99.08063	1.8
99.11699	0.8
103.07566	0.6
105.07028	2.4
107.08604	16.3
108.08867	0.6
109.06471	1.3
109.09482	0.5
109.10166	7.4
111.08076	3.9
111.11691	1.3
113.09628	0.6
116.06376	0.5
117.07025	4.1
119.08513	1.3
121.09330	0.8
121.10149	11.4
123.11712	3.7
125.06000	0.5
125.13302	0.5
127.03926	1.8
131.08591	4.7
133.10114	3.6
135.08040	0.6
135.11691	5.2
137.13234	0.5
139.11147	1.3
145.04932	2.0
147.11722	0.7
149.13263	21.0
159.11713	8.0
163.06026	2.6
177.12804	3.4
184.07298	0.8
195.13823	7.4
213.14915	0.9
239.23700	1.7
257.24734	1.6
269.17493	99.7
270.17828	1.9
290.21045	0.4
304.92004	0.4
313.27383	49.8
314.27963	0.9
487.92554	0.5
507.40479	100.0
508.40823	5.1
673.07910	0.5
775.33264	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	861.5338
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02931	4.3
67.05508	5.0
69.03437	2.9
69.07072	1.8
69.28298	3.9
71.04994	1.6
73.02927	3.4
75.95038	0.4
79.05499	2.8
81.03416	1.5
81.07063	5.4
83.08629	0.8
85.02913	4.9
87.04442	0.4
91.03964	3.0
91.05463	2.2
93.07057	4.2
95.05007	0.6
95.08611	3.3
97.02917	4.2
97.06536	0.7
97.10182	0.7
99.04468	0.9
101.02402	1.6
105.07034	1.3
107.08594	2.0
109.02889	0.6
109.10191	1.5
117.07021	0.7
119.08630	1.3
121.10171	1.7
123.11707	0.5
125.09667	0.4
127.03949	1.3
131.08636	0.9
133.10191	0.8
135.11734	0.8
145.10126	0.8
147.11670	0.4
149.13344	0.4
159.11705	0.5
198.51782	0.4
207.83081	0.5
242.54214	0.4
243.08539	1.6
269.99869	0.4
282.65985	0.4
335.22122	0.5
335.25998	0.5
365.22900	3.1
421.26581	0.5
424.53107	0.4
447.50696	0.4
496.92084	0.5
505.80585	0.4
519.29297	4.5
583.31030	5.1
793.17255	0.5
861.53314	100.0
862.53656	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	856.5794
Annotation	Unknow
Peak:m/z	Relative Intensity
61.46767	2.5
65.03918	6.7
67.05516	100.0
69.03443	5.0
69.06789	2.5
69.07084	30.8
70.06590	3.3
70.91052	6.0
71.04995	13.3
72.40166	2.1
79.05080	3.9
79.05509	64.5
81.03441	15.8
81.07072	93.4
83.04998	5.9
83.08630	16.8
85.02904	5.9
85.06561	3.7
91.05498	49.4
93.06490	3.9
93.07060	73.3
95.04969	8.0
95.08623	64.5
97.02910	2.4
97.06528	8.6
97.10191	5.8
99.08094	2.8
105.07056	33.6
107.04942	6.7
107.08612	42.9
109.06525	6.8
109.10179	45.2
111.08089	6.7
116.07102	4.5
117.07012	15.9
119.08594	24.8
121.06525	4.4
121.10161	27.9
123.08099	4.0
123.11716	6.6
125.09665	2.6
129.05515	2.9
129.07005	5.3
131.08562	22.7
133.10132	21.0
135.08040	7.1
135.11740	14.2
137.09604	2.5
143.08604	4.3
145.10155	14.3
147.11702	9.8
149.09604	6.5
149.13264	11.3
150.15479	2.2
151.11160	2.4
155.08466	3.9
155.10690	2.3
157.10184	3.6
159.11743	13.4
161.09590	3.1
161.13261	5.0
169.09915	2.3
171.11749	3.7
173.11879	4.8
173.13292	8.3
177.12827	3.2
183.11673	3.4
185.13235	3.3
211.14554	2.4
227.12904	4.6
229.14378	29.8
240.99472	2.2
243.21077	2.9
257.19058	6.4
261.22113	13.1
267.15955	5.2
269.17407	12.3
275.20178	20.6
277.21588	2.8
335.25848	91.0
335.86813	2.8
336.26266	2.6
349.23798	14.3
397.31198	3.5
409.30179	2.5
413.21713	8.9
453.25003	2.5
465.95508	3.0
479.29523	3.1
480.28226	2.8
489.35953	24.2
527.37634	3.7
529.39014	79.2
530.38629	3.5
569.42242	24.0
597.43158	2.8
609.45306	24.0
627.45917	4.0
641.47357	7.6
673.42511	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	856.5418
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03932	6.9
67.05509	100.0
68.05871	3.6
69.03424	4.1
69.07075	21.0
71.05003	4.1
71.08640	3.6
79.05500	47.3
81.03417	4.8
81.07065	70.4
83.04986	7.2
83.08628	15.9
85.02907	13.6
85.06530	3.8
85.53941	3.1
86.09694	3.7
87.04486	4.7
91.05487	25.8
93.07047	45.2
95.04978	6.9
95.08612	36.0
97.02861	3.9
97.06571	4.0
97.10177	16.1
98.20744	10.0
98.21462	19.0
105.07037	16.3
107.04922	5.4
107.08612	27.0
109.06537	3.2
109.10155	61.8
117.07017	10.1
119.08573	19.9
121.10146	24.1
123.11716	5.2
125.09645	15.4
131.08562	10.4
133.10158	9.9
135.11685	15.2
135.12595	3.2
137.09590	3.4
145.10109	9.2
147.11687	9.3
149.13290	7.6
153.12784	4.5
155.10715	4.5
157.01166	3.8
159.11731	9.6
163.11185	8.1
173.11842	16.2
173.13124	5.8
199.13290	7.1
209.11758	5.0
227.12692	6.3
229.14365	50.7
234.91759	3.1
261.22214	21.9
283.01920	6.1
301.16315	16.2
335.22040	6.6
335.25830	90.3
336.25751	3.5
358.11298	3.4
374.36377	3.8
399.23755	13.2
477.35312	5.5
489.35675	21.2
542.81873	4.3
659.45184	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	856.4548
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02935	74.7
67.05515	60.2
67.05770	1.1
69.03444	5.8
69.07078	8.3
70.81457	5.3
71.05014	3.6
73.02928	28.4
76.25682	2.1
79.05508	33.2
81.03436	6.3
81.07066	64.2
83.08633	7.0
85.02914	91.8
85.06585	4.3
87.60108	2.1
91.03968	78.8
91.05486	19.4
93.07062	47.6
93.55029	2.2
95.08621	49.7
97.02906	45.9
97.06570	2.3
99.04456	6.4
99.08077	2.1
105.07060	14.4
107.08607	25.5
109.02877	2.7
109.10176	33.1
115.03925	4.3
117.07026	5.5
119.08588	12.6
121.10158	26.1
123.11721	16.3
127.03934	31.7
129.07053	3.0
131.08582	15.0
133.10143	13.0
135.11720	21.7
137.13268	5.9
145.03920	4.3
145.04979	54.3
145.10141	14.5
147.11688	11.1
149.13284	19.8
151.11150	2.4
159.11700	12.0
161.13260	9.4
163.06038	90.9
163.11177	2.3
163.14841	17.4
164.06329	2.3
165.12810	2.7
173.13235	20.2
175.14859	3.4
177.12694	2.6
177.16406	4.5
179.14343	3.1
187.14838	7.4
201.16289	2.3
205.16231	2.1
219.86778	2.3
243.21111	32.3
261.22174	100.0
279.23270	4.2
291.23041	2.2
324.74524	2.3
325.11502	3.8
335.25812	33.9
353.26910	69.1
354.27133	2.7
497.30954	8.5
519.78906	2.1
776.27448	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	853.4557
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02933	5.7
67.05510	7.6
69.03448	3.8
69.07044	1.0
69.67005	1.7
69.67413	3.3
71.04987	0.9
71.40004	0.8
73.02905	4.1
79.05498	1.6
81.03411	1.5
81.07063	2.9
85.02917	4.3
91.03951	3.9
91.05489	1.2
93.07050	1.8
95.08619	2.1
95.62160	0.7
97.02898	7.1
99.04502	0.9
101.02391	2.4
105.07062	1.5
109.10160	5.7
119.08580	1.1
121.10175	1.4
127.03911	1.2
134.40314	0.8
173.11801	1.9
180.37910	0.8
195.94041	0.9
229.14430	1.0
243.08456	2.2
347.09628	2.3
405.13858	5.1
413.17767	9.2
502.10654	0.8
519.29266	4.2
575.23126	8.5
681.34314	3.6
691.40637	2.3
853.45551	100.0
854.45959	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	853.456
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02932	7.6
67.05515	6.5
69.03434	4.3
69.07075	1.5
69.82409	4.1
71.05011	0.8
73.02921	5.4
76.18182	0.7
79.05495	2.5
81.03428	1.9
81.07070	3.6
83.08626	1.0
85.02908	8.5
91.03961	4.7
91.05492	2.2
93.07073	2.9
95.04960	0.9
95.08637	3.4
97.02899	7.7
99.04468	1.2
101.02409	2.2
107.08634	1.7
109.02882	0.8
109.10173	4.9
119.08590	1.3
121.10176	1.2
127.03957	2.6
133.10121	0.7
135.11694	0.8
148.31718	0.7
155.10793	0.9
173.11934	0.9
185.04353	1.1
195.10030	0.9
203.05475	1.2
206.14395	0.7
243.08495	2.2
304.45691	0.8
326.54459	0.8
329.43991	0.7
347.09689	2.7
405.13779	5.0
413.17789	5.6
519.29504	6.2
575.23328	4.4
612.11078	0.9
681.34613	7.9
691.40533	1.9
774.85638	0.8
809.43982	0.8
853.45599	100.0
854.45764	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	854.4386
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02920	3.7
66.54398	1.2
67.05507	22.0
69.03430	1.3
69.07078	10.1
70.66756	2.5
70.67091	1.4
70.86515	1.1
71.04980	1.9
79.05497	12.4
81.03400	1.2
81.07059	65.5
83.04989	5.7
83.08616	7.1
84.64561	1.1
85.02904	8.2
85.06531	3.7
91.03960	3.1
91.05486	21.8
93.07051	10.0
95.04963	3.0
95.08619	14.7
95.96603	1.2
97.02879	2.6
97.06528	4.1
99.08104	2.2
101.05990	1.5
103.05454	3.0
105.07037	28.9
107.08601	10.3
109.06522	4.0
109.10168	1.8
118.38427	1.3
119.08591	24.1
121.10149	18.5
123.08080	4.8
123.11717	28.4
127.07569	3.7
131.04916	4.1
131.08572	1.7
133.10133	2.1
137.13222	1.4
145.04945	1.8
145.10205	2.1
147.11696	68.7
149.78358	1.0
157.10130	2.8
165.12767	31.6
171.86885	1.0
175.11195	2.6
183.13863	2.1
193.12309	2.1
211.13330	1.4
229.14378	5.9
252.22897	1.2
267.15930	80.6
268.16254	2.1
269.17462	1.3
285.16980	97.3
286.17285	3.3
341.97424	1.3
410.82220	1.1
477.28503	16.9
478.28714	1.4
495.29593	100.0
496.29877	3.8
516.11456	1.3
857.74963	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	850.4016
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03945	6.2
69.03415	0.7
69.07066	0.5
69.17964	0.9
69.18375	3.5
70.06602	23.9
71.08625	3.9
72.08133	0.9
74.06091	0.5
76.45866	0.4
84.08154	0.4
85.10175	1.1
86.06062	0.5
88.07642	29.0
92.76725	0.4
93.03427	0.7
95.04948	0.5
102.09194	21.5
103.01807	0.7
103.05457	0.4
105.03389	0.5
121.02865	2.7
126.06050	0.5
126.58089	0.4
131.04990	0.7
132.80478	0.4
133.02968	0.6
136.01509	0.4
139.03928	2.4
147.04427	1.4
149.02370	100.0
149.03448	8.1
150.02707	1.0
175.03922	2.8
177.05496	2.3
180.04213	0.6
189.13054	0.4
191.07063	1.9
193.04990	50.7
194.05370	0.6
212.23795	1.1
219.06598	2.7
221.99998	0.4
237.07582	11.1
256.26385	68.3
257.26730	1.4
297.04001	1.5
300.29050	1.2
313.07022	1.1
336.11191	0.4
341.06583	4.1
343.08179	1.1
359.07666	1.6
385.09225	7.9
411.10452	0.6
429.11960	2.2
533.11121	1.0
577.13464	9.7
578.14606	0.4
621.16071	13.6
640.34338	0.6
832.39117	3.0
850.40161	90.5
851.40314	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	848.5005
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05013	3.7
61.02934	10.3
65.03949	3.4
67.05510	100.0
69.03430	3.2
69.07072	7.2
69.81631	0.8
69.81960	4.0
70.94704	0.8
71.05002	2.9
73.02930	4.7
79.05494	21.9
81.03430	2.1
81.07063	39.5
83.04998	0.9
83.08630	8.5
85.02911	13.3
85.06548	2.7
91.03961	8.9
91.05489	16.5
91.06019	1.2
93.07053	27.1
95.04961	1.4
95.08616	26.6
97.02892	7.6
97.06555	1.5
97.10183	2.1
99.04453	1.3
99.08103	1.1
105.07027	9.5
105.07595	0.9
107.08611	14.5
109.02898	1.2
109.06527	0.9
109.10164	77.6
111.08105	2.8
117.07042	3.3
119.08592	13.3
121.10158	13.9
123.11729	4.1
125.09642	1.1
127.03944	3.2
131.08578	7.3
133.10121	5.0
135.11710	8.0
137.09673	3.1
137.13293	1.6
145.04968	3.7
145.10121	5.2
147.11717	4.4
149.13268	5.3
155.10648	6.2
157.10085	0.8
159.11702	3.5
161.13309	2.0
163.06049	4.3
163.11272	1.0
163.14896	2.6
173.11789	17.6
173.13297	3.7
175.14854	1.0
184.07426	0.9
185.13220	1.0
187.14845	1.7
189.11264	0.8
201.16446	1.0
227.12834	6.0
229.14371	82.2
230.14783	1.7
243.21080	6.4
261.22202	19.5
261.24896	1.4
262.22519	0.8
317.24957	3.3
335.25827	66.9
336.26306	2.5
379.30035	1.1
397.31226	0.9
415.32544	1.7
447.54965	0.7
471.35144	2.1
489.35782	68.1
490.36249	3.8
507.36868	6.8
557.69293	0.7
593.32275	0.8
613.06964	0.9
659.24103	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.5021
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02925	3.1
67.05515	5.1
69.03437	2.8
69.07073	2.3
71.01376	1.1
71.51744	1.3
73.02917	3.7
79.05499	3.7
81.03410	1.8
81.07069	5.2
85.02913	3.5
91.03970	3.1
91.05497	2.7
93.07057	3.2
95.08617	2.6
97.02896	4.3
97.06546	1.4
101.02409	1.4
104.70464	0.8
105.07037	1.8
107.08624	2.5
119.08582	0.9
121.10167	1.0
126.15319	0.9
127.03928	1.2
133.10164	1.4
133.31113	0.7
184.07449	3.4
185.04276	1.1
243.08412	1.3
349.19653	4.0
453.20831	1.2
519.29449	3.8
545.86938	0.9
567.27795	4.6
569.72412	0.9
683.44977	0.9
845.50153	100.0
846.50323	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	845.5024
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02937	4.7
65.01022	0.7
65.03965	0.9
67.05509	7.6
69.03433	4.8
69.07066	1.9
70.89007	0.8
73.02943	3.5
79.05505	4.6
81.03423	1.8
81.07062	5.6
81.67255	0.8
85.02925	4.7
86.09715	0.9
87.21584	0.7
91.03972	3.4
91.05486	3.2
93.07048	5.2
95.04988	1.1
95.08630	4.2
97.02910	4.5
97.06538	1.5
99.04472	1.3
101.02428	1.0
105.07054	1.9
107.08611	3.5
107.20247	0.7
109.02927	0.8
109.10184	1.4
119.08598	1.3
121.10184	1.3
127.03937	1.0
131.08595	0.8
133.10205	1.2
135.11742	1.3
168.85406	0.8
184.07407	4.5
238.39883	0.7
243.08521	2.2
332.59720	0.7
349.19891	9.1
519.29309	6.3
567.28253	2.6
845.50244	100.0
846.50507	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	848.5008
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05001	3.0
61.02931	11.4
65.03932	3.0
67.05509	98.7
69.03429	2.8
69.07076	7.6
69.73685	2.1
69.74102	3.7
71.04993	2.3
73.02934	4.4
79.05500	19.5
81.03410	1.3
81.07061	39.0
82.62947	0.9
83.08624	7.8
83.97162	0.9
85.02905	13.4
85.06553	2.2
87.04439	0.9
91.03963	7.3
91.05486	13.1
92.29371	0.9
93.07047	27.2
94.07311	0.9
95.04968	1.3
95.08614	26.0
97.02901	8.1
97.06559	0.9
97.10175	2.0
98.20692	1.1
99.04478	0.9
99.08083	1.0
105.07049	7.6
107.08609	15.7
109.10164	83.9
110.10532	0.8
111.08081	3.4
117.07021	2.0
119.08578	11.3
121.10147	11.7
123.07975	1.1
123.11720	3.1
125.09718	1.1
127.03912	3.8
131.08595	7.8
133.10101	5.5
135.11707	7.8
137.09605	2.7
137.13168	1.3
145.04985	3.7
145.10086	4.3
147.11716	3.1
149.13293	5.0
155.10646	6.1
156.57762	0.9
159.11708	4.1
161.13295	2.9
163.06023	4.3
163.14841	3.5
173.11772	18.7
173.13260	3.0
174.98817	0.8
175.14810	1.8
177.16396	1.1
184.07361	1.9
187.14877	2.2
189.11316	0.9
227.12717	6.8
229.14363	100.0
230.14819	1.9
243.21082	5.1
261.22183	19.2
317.24731	3.7
335.25821	66.6
336.26077	2.4
379.30026	1.2
397.31152	1.7
415.32129	1.1
471.34741	1.8
484.88461	1.1
489.35812	49.4
490.35648	2.2
507.36737	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	845.3579
Annotation	zinc tetramesitylporphyrin
Peak:m/z	Relative Intensity
69.07087	3.3
71.51930	3.4
79.05506	2.4
81.07068	2.1
126.67830	1.9
149.15797	1.9
168.27309	2.1
184.07446	3.6
303.94278	2.3
411.64417	2.3
557.19983	34.1
656.42438	2.9
844.49994	3.8
845.35754	100.0
845.50195	17.8
846.36328	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	840.5479
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03912	7.1
67.05515	100.0
69.03425	17.4
69.07082	43.0
69.75592	5.9
71.04992	26.2
79.05502	74.2
81.03422	25.3
81.07064	99.8
83.04990	13.3
83.08632	13.5
85.02919	11.1
91.05481	58.7
93.07068	85.9
95.04980	19.1
95.08636	59.6
97.02899	11.6
97.06544	97.7
101.77030	6.8
105.07061	33.1
107.04971	12.1
107.08624	39.1
109.02902	8.5
109.06524	23.4
109.10154	26.0
111.08132	9.4
115.07599	23.6
117.07027	23.6
117.07763	6.7
119.08617	38.4
121.06516	12.6
121.10178	26.6
123.11730	6.3
129.07018	10.0
130.08655	7.1
131.08586	27.6
133.06557	6.9
133.10199	40.6
135.08057	12.3
135.11702	11.0
139.93634	7.4
143.08484	10.2
145.10150	18.6
147.08147	7.5
147.11691	18.6
149.09573	13.7
149.13316	15.6
159.11816	7.4
161.09692	8.0
171.11647	7.7
173.04509	8.9
175.11229	10.0
184.07414	9.3
185.13319	7.5
199.14906	8.1
253.14301	7.8
269.17383	11.7
273.18533	36.1
291.19580	17.9
335.25867	66.8
347.22192	11.6
365.23163	11.6
392.21484	6.9
529.38782	23.3
607.44202	9.6
625.44098	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	840.5467
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05508	97.2
69.03416	16.8
69.07069	53.1
70.21486	16.8
71.04987	13.9
79.05495	80.4
81.03417	20.8
81.07058	96.7
83.04973	10.8
83.08615	11.1
85.02897	7.3
85.06535	5.0
91.05485	60.4
93.06492	5.5
93.07052	94.0
95.04987	20.7
95.08609	49.4
97.02904	11.4
97.06535	72.5
97.10178	5.3
97.72890	3.5
98.20825	5.6
98.76510	4.0
99.08090	10.8
105.07029	43.0
107.04965	7.7
107.08588	40.4
109.02896	6.1
109.06490	14.1
109.10160	21.0
111.08081	8.2
115.07574	18.3
117.07036	23.8
119.08592	26.6
119.10488	3.8
121.06516	7.3
121.10143	28.9
123.08060	6.4
123.11696	9.0
127.03916	8.2
129.06952	11.8
131.08554	31.3
133.10167	23.3
135.08072	14.3
135.11662	17.4
137.09583	4.4
138.60287	3.8
143.08580	6.6
145.10115	17.5
147.11702	11.7
149.09639	6.4
149.13284	11.5
155.08720	4.5
157.10097	9.7
159.08096	5.4
159.11725	17.7
161.09579	5.5
161.13249	4.8
161.41472	4.2
169.70854	4.7
173.04510	7.3
173.09677	5.6
173.13220	7.8
175.11171	6.6
203.14079	5.1
213.27831	4.5
217.15880	14.3
221.15508	4.6
240.80003	3.7
246.19235	4.1
259.20657	5.8
261.22241	12.2
269.17438	13.6
270.17798	4.5
273.18436	25.9
291.19629	19.5
321.96033	4.1
333.24307	4.3
335.25836	100.0
347.22076	7.7
365.23297	9.2
458.18396	4.2
529.38885	27.7
607.43451	5.4
625.44458	20.8
643.45813	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	838.3844
Annotation	Unknow
Peak:m/z	Relative Intensity
68.05053	1.4
70.06598	55.6
71.04984	0.8
75.05607	10.4
75.22947	0.7
76.57076	0.7
83.06115	1.8
83.13660	0.6
84.04510	30.6
85.02930	0.8
85.07674	1.3
85.31331	0.6
88.61504	0.7
91.05481	8.6
93.85125	0.8
95.06111	2.9
96.04505	2.0
97.07654	1.8
98.06170	0.7
101.07155	12.1
102.05553	3.2
103.05492	2.2
107.04987	1.2
109.50750	0.6
112.08736	22.7
112.09497	1.4
113.07147	3.9
115.08700	8.7
119.04954	6.4
120.08113	30.7
124.03957	1.6
124.08767	1.5
129.06599	4.7
130.05034	1.1
131.04936	0.9
132.08141	2.1
136.07587	81.4
137.07944	1.0
139.08609	0.9
140.08255	2.1
141.06653	2.8
145.07391	0.6
146.05994	0.7
147.04454	1.9
148.07619	2.9
148.08670	0.8
151.05070	1.1
152.03444	3.3
152.08188	1.5
154.27850	0.6
157.10915	1.0
160.07664	1.2
161.41318	0.8
167.08182	1.5
169.06125	8.5
172.11339	0.7
177.10298	2.5
181.09793	1.5
186.08777	6.6
187.07217	4.0
187.08835	0.9
188.10854	0.8
193.09737	16.4
195.07719	2.5
199.12328	0.8
203.08189	1.6
205.09642	3.3
206.09267	0.9
212.10344	1.5
213.08725	1.6
215.08182	1.5
216.15010	1.5
217.13499	1.9
221.09312	2.7
222.12468	0.9
223.07213	1.1
232.10858	1.0
238.12296	1.2
238.54823	0.7
241.08298	3.3
242.12993	4.0
244.14421	3.6
253.08186	0.7
259.11362	0.8
259.15573	14.8
280.09280	0.9
287.15042	1.4
297.12201	1.2
298.10312	5.0
300.13443	0.9
303.14569	5.2
304.13052	1.8
315.13159	1.4
327.35092	0.9
333.15704	1.0
360.16800	2.8
361.19989	1.1
444.23874	0.8
573.28101	1.5
796.36963	0.8
821.35535	2.1
838.38452	100.0
839.38739	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	831.4713
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05000	1.3
61.02933	5.9
63.13510	0.6
67.05509	5.6
69.03435	4.8
71.08672	1.6
73.02921	4.1
81.03429	2.0
81.07067	1.6
83.08665	1.0
85.02915	6.3
85.71690	0.6
91.03963	4.2
93.07030	0.9
95.08602	1.7
97.02896	7.6
99.04446	1.2
101.02383	2.3
103.03938	1.5
109.10151	5.0
115.04000	0.8
127.03938	2.4
145.04976	1.0
155.10660	1.2
173.11810	1.9
185.04291	0.9
195.09979	0.9
196.92819	0.6
229.14525	1.0
243.08510	2.3
302.72620	0.7
313.27521	1.0
347.09543	2.7
363.09210	0.8
365.10974	0.7
405.13751	6.2
413.17914	9.6
497.30667	5.2
575.23047	9.3
582.90747	0.7
659.36188	3.9
669.41913	2.6
831.47107	100.0
832.47119	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	832.5572
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02956	0.8
58.06604	63.8
59.04995	0.7
59.06119	3.2
60.04516	1.2
61.02637	0.7
61.02919	4.8
65.03935	2.1
67.05508	25.0
68.05030	1.0
69.03426	2.0
69.07063	5.7
70.06585	3.0
71.51881	0.9
71.52341	1.0
72.08154	0.8
73.02909	2.7
78.20621	0.7
79.05496	24.5
80.05009	1.5
81.03413	1.0
81.05814	0.8
81.07059	20.7
82.06601	5.4
83.08617	2.7
84.04504	3.5
84.08141	5.6
85.02893	2.5
89.92899	0.7
91.03950	1.7
91.05495	15.9
93.05782	0.7
93.07049	18.7
94.06574	12.2
95.04959	3.5
95.07368	1.2
95.08616	13.9
96.08138	3.2
97.02915	4.2
97.10158	1.0
98.06026	0.8
105.04513	1.5
105.07032	10.8
106.06555	1.7
107.04951	0.9
107.07325	1.2
107.08589	10.9
108.08116	2.0
109.06493	1.5
109.08894	0.9
109.10169	3.6
110.09663	1.5
112.07600	3.0
114.09168	1.8
117.07040	4.0
119.08578	7.8
120.08111	2.6
121.06511	0.8
121.08898	1.1
121.10162	7.2
122.09682	1.7
123.08069	1.3
123.11704	1.5
124.11248	3.9
129.07010	2.6
131.08588	5.5
132.08109	1.6
133.10167	5.0
134.09647	2.1
135.11707	2.4
136.11250	1.1
143.08607	1.8
143.74529	1.0
145.04901	0.7
145.10104	4.4
147.11705	3.0
147.98718	0.7
149.13269	1.7
152.10764	1.8
156.09315	0.7
157.10182	0.9
159.11700	1.8
161.13245	1.3
162.12787	2.3
164.14391	3.4
171.11769	1.4
173.13304	1.2
180.13788	1.8
188.10887	0.9
220.16991	2.3
233.10205	0.8
259.20773	0.8
261.22330	1.4
280.36642	0.8
283.20496	1.1
300.23154	2.2
301.21664	1.3
318.24338	4.5
334.24182	0.9
335.25797	10.6
392.28064	4.0
410.28787	1.3
532.40070	3.6
572.43262	1.3
612.46326	1.9
635.46216	1.3
652.49457	7.3
655.01880	1.2
670.50452	100.0
671.50507	7.1
813.46790	0.8
814.54016	1.7
832.55597	17.0
833.55969	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.3829
Annotation	Unknow
Peak:m/z	Relative Intensity
57.93497	0.8
58.21049	0.7
66.60557	0.7
67.05502	0.8
69.03447	3.7
69.07072	27.5
69.39266	1.3
69.39667	4.8
80.04782	0.7
83.04989	5.8
85.02913	1.4
93.03386	0.9
93.07080	1.1
95.08649	0.9
97.06548	2.0
98.20774	1.6
100.57437	0.9
111.04445	7.3
115.03926	2.0
129.05493	1.8
129.09105	3.9
147.06546	4.8
147.07582	0.6
157.08546	0.9
184.07266	1.1
189.07594	3.8
197.07870	9.3
231.08871	0.8
253.06897	2.6
296.00699	0.8
311.14651	44.5
312.15167	0.9
348.67798	0.8
359.98486	0.8
425.17801	2.0
481.20526	1.7
541.22620	78.7
542.22980	3.3
592.77173	0.8
769.35938	1.5
829.38086	100.0
830.38092	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	829.5082
Annotation	Unknow
Peak:m/z	Relative Intensity
58.04750	0.7
58.24332	0.7
59.05017	0.9
61.02934	6.0
67.05521	6.3
69.03427	4.2
69.07074	1.5
71.04975	0.7
73.02924	4.4
79.05501	4.5
81.03426	2.8
81.07065	6.9
83.04980	0.8
84.17427	0.6
85.02924	5.5
91.03973	2.9
91.05514	3.2
93.07054	4.7
95.04966	0.9
95.08624	4.2
97.02914	3.6
99.04482	0.9
101.02402	2.1
103.04027	0.8
105.07069	1.8
107.08648	2.8
109.10204	1.6
117.07105	0.8
119.08691	1.3
121.10162	1.7
127.03952	1.4
133.10143	1.0
140.24973	0.7
147.11720	1.1
208.82822	0.7
221.97180	0.8
243.08612	2.5
245.28220	0.9
333.20490	3.1
366.40228	0.8
388.01413	0.9
467.14966	0.9
472.87219	0.8
492.37671	0.9
519.29248	7.0
551.27869	3.5
628.97791	0.7
672.83502	1.0
829.50830	100.0
830.51154	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	829.5074
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04984	0.7
61.02936	4.0
67.05512	6.1
68.08381	0.7
69.03437	2.2
69.07075	1.9
69.20775	1.3
69.21181	4.5
71.01353	0.6
71.05007	0.7
73.02928	3.7
76.17176	0.5
79.05504	4.6
81.03440	1.3
81.07066	5.3
83.08627	0.7
85.02911	4.4
91.03976	3.1
91.05485	3.4
92.05817	0.6
93.07047	4.6
95.04972	0.7
95.08615	4.5
97.02915	4.9
98.20743	1.3
98.21429	2.0
99.04456	1.2
101.02416	1.6
105.07066	2.0
107.08628	2.1
109.02965	0.8
109.10203	1.9
115.03957	0.7
119.08601	1.4
121.10144	1.4
127.03941	1.2
129.07088	0.7
131.08597	0.9
133.10165	1.4
135.11667	0.7
145.10175	0.7
154.38013	0.6
199.92491	0.6
228.53419	0.7
243.08595	1.6
247.12984	0.6
333.20181	3.0
493.15829	0.7
519.29358	7.6
551.28369	3.9
615.81769	0.8
667.46027	0.8
743.43713	0.7
829.50745	100.0
830.50958	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	827.4932
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05005	6.1
59.71122	0.9
61.02942	3.9
67.05516	9.5
69.03440	2.6
69.07093	1.5
69.16782	9.7
71.05003	1.1
73.02930	3.4
79.05512	6.4
81.03427	2.1
81.07060	7.3
83.05017	1.8
83.08626	1.2
85.02937	4.0
85.49598	0.8
86.09706	1.2
91.03963	2.9
91.05512	3.8
93.07066	5.6
95.08624	4.5
97.02921	4.1
99.04470	1.2
101.02409	1.2
105.07066	2.8
107.08639	2.7
109.10186	3.1
117.09165	1.7
119.08624	2.4
121.10212	2.9
127.03996	1.1
133.10202	2.9
135.11731	1.2
145.10204	0.9
159.11813	1.6
184.07465	2.0
189.68149	1.0
203.98964	1.0
243.08543	2.8
265.16571	1.1
331.18930	3.0
470.24701	1.0
519.29175	5.9
526.21912	1.1
549.27075	3.4
586.16827	1.1
809.48730	2.2
827.49268	100.0
828.48706	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	826.517
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05011	3.3
59.45400	0.4
61.02648	0.8
61.02938	10.2
62.89711	0.4
64.39696	0.5
65.03946	1.1
67.05516	57.0
68.05837	0.5
69.03440	1.9
69.07082	5.1
69.40553	2.1
69.40968	0.8
69.53764	0.4
70.06600	0.9
71.05022	2.2
71.08644	15.9
73.02934	3.2
75.55085	0.4
77.50224	0.4
77.78979	0.5
79.05509	0.9
81.03431	1.0
81.06588	0.8
81.07069	13.8
83.08636	10.2
84.08190	0.5
84.55314	0.4
85.02921	12.1
85.06561	2.4
85.10203	8.2
87.04468	0.5
89.06050	1.5
91.03976	7.0
91.05496	2.8
93.07056	2.0
95.04980	0.6
95.08620	14.5
96.04533	0.5
97.02901	5.6
97.10173	2.8
99.11724	0.6
103.07597	1.2
107.08607	1.3
109.02919	0.8
109.10175	59.8
110.10471	0.6
111.08121	2.3
111.11758	0.5
116.07141	1.0
119.08598	4.0
121.10357	0.4
123.11730	2.0
127.03923	2.5
127.11170	0.5
137.09654	1.8
137.13252	0.7
145.04979	4.0
150.85686	0.4
155.10698	4.7
163.06046	3.8
167.81032	0.4
173.11769	14.3
184.07368	1.2
221.22745	0.4
229.14392	100.0
230.14758	2.2
239.23759	1.1
257.24838	2.2
313.27414	75.4
314.27740	2.4
467.37433	64.3
468.37506	2.2
516.04785	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	824.5529
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04998	6.0
65.03957	4.0
67.05515	100.0
69.03425	10.7
69.07076	29.2
69.61384	2.7
71.04976	5.3
71.22473	5.3
71.22803	2.7
73.02920	2.6
79.05508	84.2
79.05969	4.3
81.03413	7.3
81.07069	92.6
83.04985	8.1
83.08634	13.6
85.02939	6.1
85.06543	5.0
91.04975	4.4
91.05496	54.8
93.06490	5.1
93.07058	83.6
95.04967	13.2
95.08064	4.5
95.08624	58.0
97.02890	5.1
97.06535	11.6
97.10186	8.1
99.08111	4.8
105.04566	3.7
105.07054	40.4
107.04993	8.2
107.08612	45.4
109.06570	5.0
109.10181	25.6
111.08074	5.2
117.07024	18.2
118.14797	2.8
119.08607	36.1
121.10165	30.2
123.08050	2.9
123.11688	10.1
125.09671	5.5
127.03964	3.4
129.07008	9.1
131.08589	23.4
133.10156	26.8
135.08089	3.7
135.11696	20.1
137.09618	3.2
143.08531	5.1
145.10129	25.9
147.11678	14.9
149.09627	6.8
149.13258	10.7
157.10129	9.6
159.11713	26.7
161.13281	11.4
163.11180	6.5
169.10149	5.1
171.11716	8.1
173.13235	7.7
177.12717	3.0
183.11803	3.2
184.07373	4.9
185.13341	4.2
199.14784	2.7
206.69250	2.3
219.17506	2.6
227.12697	6.9
238.59575	2.5
239.17834	3.5
255.16034	3.6
257.18994	10.8
259.20706	3.5
261.22198	11.4
267.16309	3.7
269.17441	14.8
275.20120	28.9
277.21802	2.8
293.21152	3.8
317.24844	3.0
331.22583	3.7
335.25873	96.3
336.26273	3.9
349.23712	24.3
367.25269	3.5
489.35834	6.0
505.35516	2.8
515.37555	14.3
529.39008	36.7
569.42139	4.0
609.45251	30.1
627.46118	5.9
641.14807	2.7
643.24390	3.1
825.47333	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	824.5524
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05003	3.8
65.03938	6.1
67.05513	98.4
69.03430	7.1
69.07079	30.9
69.86082	8.1
71.05000	6.7
73.02932	1.8
75.29631	1.5
77.03906	1.5
79.05506	71.0
81.03442	9.3
81.07066	100.0
83.04998	12.1
83.08630	13.4
85.02901	7.2
85.06550	3.8
86.09702	3.5
88.60947	1.3
91.05493	54.9
93.07053	84.2
95.04978	12.3
95.08617	57.3
97.02896	4.8
97.06552	11.3
97.10174	3.5
98.20745	2.4
99.04471	2.7
99.08095	3.3
103.05441	1.9
105.04504	1.8
105.07053	42.3
107.04980	6.3
107.08609	44.3
109.02928	2.3
109.06533	6.9
109.10170	21.8
111.08089	4.9
112.11973	1.4
115.05471	3.8
117.07031	21.6
119.07818	2.4
119.08598	32.9
121.06525	3.7
121.09331	3.1
121.10158	28.5
123.08092	2.0
123.11720	6.5
124.99958	2.0
125.09648	2.7
127.03934	2.2
129.07024	6.6
131.08589	27.7
133.06534	2.0
133.10153	28.7
135.08081	4.3
135.11691	16.7
137.09616	3.9
137.13249	2.2
139.11195	2.5
141.07057	2.5
143.08531	4.8
145.10144	14.9
147.11714	11.8
149.09624	7.0
149.13254	14.0
151.11214	2.5
155.08580	3.3
157.10179	6.1
159.11731	15.9
161.09622	1.7
161.13254	7.5
163.11217	4.0
163.14830	2.2
169.10132	4.1
171.11694	6.8
173.04482	2.0
173.13304	8.5
175.14879	4.3
177.12701	4.8
183.11775	2.8
184.07353	6.7
185.13301	3.4
187.14882	2.6
188.50491	1.5
189.16408	2.3
195.13776	4.5
197.13318	2.4
199.14832	3.2
217.15950	2.1
229.14403	3.6
235.16957	3.7
239.18005	2.3
243.21016	2.7
247.20944	1.7
255.15968	6.5
257.19034	5.0
259.20648	2.5
261.22159	8.1
269.17538	21.6
275.20078	23.2
291.19672	4.2
293.21167	2.9
309.20667	4.9
317.24561	3.0
331.22644	2.3
333.24313	2.3
335.25845	94.6
336.26147	3.6
349.23831	15.3
367.24854	3.7
489.35837	4.8
515.37347	10.8
529.38953	51.0
530.39349	2.8
543.40399	3.5
569.42267	18.3
609.45355	23.4
627.46075	6.4
645.85388	1.6
673.43134	1.8
767.53003	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	824.4281
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02935	0.3
65.03947	0.8
67.05513	0.9
69.03423	1.0
69.07070	100.0
70.07394	0.7
71.51753	0.3
75.02206	0.2
79.05502	0.3
81.03394	1.2
81.07072	0.3
83.04494	0.3
83.04988	5.4
87.08112	3.4
93.03407	3.5
95.04991	0.5
95.08624	0.3
97.06532	2.3
99.04459	0.2
102.58879	0.2
103.03949	0.2
107.80858	0.2
111.04446	15.3
115.03955	1.2
123.41425	0.2
129.05489	0.9
129.09123	57.4
130.09477	0.5
147.06520	2.0
147.10191	1.3
153.05472	14.4
157.08611	41.8
158.08942	0.5
164.38591	0.2
169.08630	0.6
171.06512	1.6
173.15367	0.7
184.07338	0.4
189.07585	2.9
207.83632	0.2
231.08662	6.8
271.15433	8.2
272.15759	0.3
273.09683	0.6
291.10748	0.5
340.06042	0.2
343.17450	0.3
381.18799	1.2
387.16327	0.3
441.20886	0.3
459.22272	1.4
501.23376	8.0
502.23645	0.4
519.24445	0.4
675.32434	0.2
729.36768	0.6
789.38330	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	824.5515
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05005	22.2
61.02916	5.4
61.51174	2.6
65.03950	5.8
65.46278	2.6
67.05506	100.0
69.03423	9.1
69.07063	31.2
71.04994	6.8
71.08614	3.2
71.51814	3.2
77.89910	2.3
79.05495	77.8
81.03420	7.6
81.06590	5.3
81.07058	89.8
83.04977	12.5
83.08598	12.8
85.02920	6.9
85.06551	3.8
89.06033	2.8
91.05480	75.5
92.05795	3.0
93.07048	89.1
95.04969	10.4
95.08612	69.7
97.02901	7.5
97.06529	7.4
97.10159	7.2
98.11230	2.4
99.08121	5.1
105.07040	69.9
107.04964	6.7
107.08598	49.5
109.06549	5.2
109.10156	33.1
114.26271	3.1
116.07081	4.1
117.07026	27.9
119.08598	37.7
121.06501	5.9
121.10150	35.9
123.08076	7.2
123.11704	5.9
129.07019	10.5
131.08572	33.4
133.06438	2.5
133.10129	40.3
135.08116	2.4
135.11694	17.2
137.13281	4.4
143.08575	9.1
145.06384	3.2
145.10115	24.1
147.11702	27.4
149.09604	4.0
149.13283	14.4
151.11223	3.0
157.10159	7.9
159.11707	20.8
161.13239	15.2
163.14838	4.7
171.11707	5.8
173.13223	17.7
175.14848	4.6
184.07326	7.6
185.13284	9.9
187.14803	5.8
199.14851	8.2
201.16553	2.8
217.15871	2.9
235.17035	3.3
239.18027	4.6
241.19550	8.0
243.20917	3.4
257.19019	6.2
259.20541	26.1
261.22186	10.6
269.17789	2.4
275.20081	13.3
291.19531	3.9
293.21112	11.0
333.24249	26.4
335.25815	78.1
336.26202	8.5
337.27045	3.4
348.26321	3.1
349.23517	3.3
367.24887	5.3
508.14270	2.9
529.38843	7.5
554.11285	3.0
569.41968	6.8
593.45380	7.4
609.44739	2.8
611.46680	16.0
627.45660	9.7
701.52417	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	822.5373
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	14.7
57.07066	4.8
59.05006	11.7
67.05515	88.9
69.03439	3.8
69.07082	22.4
71.05000	8.3
73.06600	2.8
79.05505	66.0
79.37225	2.9
81.03439	3.7
81.07068	100.0
83.05000	39.2
83.08631	9.9
85.06557	7.6
91.05499	73.2
93.07056	68.4
95.04980	12.9
95.08611	35.3
97.06536	7.0
97.10183	3.5
98.21619	6.9
101.92457	3.0
105.06337	2.2
105.07047	55.8
105.07702	5.6
107.04974	6.5
107.08604	49.7
109.06512	6.7
109.10173	56.2
111.08089	3.7
117.07026	11.8
119.08601	21.3
121.06511	5.3
121.10132	20.3
123.04496	3.2
123.08080	4.4
123.11729	9.8
131.08614	19.1
133.06506	4.4
133.10146	63.7
135.08055	7.1
135.11728	16.7
143.08556	4.3
145.10143	11.9
147.11707	10.4
149.09590	5.8
149.13251	6.1
151.11212	31.3
157.10120	5.3
159.11754	8.1
161.09644	10.5
161.13304	4.1
169.12294	5.2
171.11662	4.4
172.15182	3.0
173.09578	3.0
173.13306	3.7
175.11258	4.1
175.14825	3.6
184.07361	6.5
187.14890	5.0
204.83495	4.4
215.12859	4.6
227.17966	2.9
235.56497	3.1
245.19139	4.1
251.12720	3.4
253.14412	90.5
261.22253	11.6
273.18500	23.3
291.19458	21.0
317.24704	4.5
330.27502	2.7
333.23883	4.0
335.25864	86.2
347.22104	8.3
347.25873	9.8
365.23212	30.4
366.23114	3.5
378.55511	2.8
531.37024	28.8
543.40393	3.8
561.03369	3.5
607.43933	4.3
625.44647	55.5
626.44849	3.6
681.50684	10.4
726.37073	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	822.5373
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	12.4
57.03677	2.6
57.07077	3.7
59.04998	12.1
60.08150	4.1
60.30203	2.9
65.03946	6.5
67.05518	100.0
69.03449	5.7
69.07082	24.2
71.04991	7.1
71.29641	7.0
79.05072	5.3
79.05508	69.6
80.43152	2.8
81.03420	10.4
81.07073	97.0
83.04996	31.6
83.08649	13.7
85.06546	7.4
85.42274	2.9
86.09718	6.8
91.04980	4.8
91.05500	66.7
93.07064	70.7
95.04973	15.3
95.08060	4.9
95.08624	64.5
97.06564	9.3
97.10145	5.3
99.08118	4.2
105.07048	67.6
107.04955	10.4
107.08620	48.7
108.15490	2.9
109.06535	8.5
109.10180	49.7
111.08073	3.4
114.70030	2.8
117.07027	12.9
119.08606	24.2
121.06529	11.6
121.10177	22.5
123.08065	13.3
123.11700	9.2
125.00049	4.4
129.06992	5.9
131.08601	24.5
133.06477	8.5
133.10161	62.9
135.08057	8.1
135.11728	16.2
136.93590	2.7
137.09619	7.8
143.08545	5.5
145.10149	15.3
147.08046	6.1
147.11691	9.3
149.09645	8.8
149.13312	4.9
151.11232	22.0
157.10153	7.2
159.08041	4.8
159.11662	9.7
161.09587	11.0
161.13312	4.1
163.11284	3.4
169.12306	4.6
171.11748	4.4
175.11183	4.1
175.14798	2.8
184.07368	17.3
189.12718	3.5
223.13156	3.7
245.19022	3.8
246.59308	3.1
253.14410	61.1
255.17555	5.1
259.20810	3.6
261.22144	10.5
263.20123	6.0
273.18576	37.7
282.62183	3.1
291.19519	28.1
311.37708	3.4
335.22040	5.1
335.25870	69.0
347.22040	8.9
347.25864	8.0
349.80304	3.1
354.85144	3.1
365.23328	54.8
513.35559	4.2
531.36487	9.1
591.34955	3.4
607.43188	8.7
625.44818	70.1
626.45099	5.5
681.50610	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	822.4492
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	4.6
61.02932	5.0
67.05515	25.4
69.03438	1.3
69.07092	8.0
69.97045	3.4
70.06594	1.5
71.04975	2.7
73.02934	2.0
79.05502	17.3
81.03419	3.0
81.07072	38.2
83.04975	3.9
83.08653	6.7
85.02911	5.7
85.06548	2.3
86.09686	0.9
91.03946	3.8
91.05491	14.9
93.06490	1.5
93.07053	25.8
95.04978	2.7
95.08631	10.3
97.02895	4.8
97.06544	5.1
97.10154	1.3
98.20898	1.4
105.07037	7.6
107.04997	1.0
107.08614	16.8
109.06544	1.8
109.10151	3.1
111.08077	2.7
117.07052	6.4
119.08548	2.2
121.06538	1.1
121.10163	7.6
123.08076	1.4
123.11729	2.1
128.58490	1.0
129.07010	2.5
131.08606	6.1
133.10162	7.0
135.08081	1.5
135.11668	5.9
143.08527	2.2
145.04950	1.5
145.10135	2.5
147.11740	1.3
149.13290	12.2
151.11192	1.3
155.08517	1.9
157.10078	1.2
159.11674	5.7
163.05989	1.6
177.12732	2.2
195.13838	5.7
195.95374	1.0
217.70938	1.0
232.84273	1.1
255.90840	1.0
269.17551	21.9
320.42694	1.1
353.24936	2.4
363.44177	1.0
371.25848	2.1
389.26779	1.3
413.21756	1.1
445.29526	14.0
463.30606	100.0
464.30728	4.3
481.30975	1.3
486.43668	1.1
571.32220	1.1
607.34882	5.5
709.19940	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.4163
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	20.2
57.07083	1.8
61.02930	76.6
65.03947	2.7
67.05509	32.5
69.03433	30.0
69.07067	7.3
70.97430	1.3
70.97762	1.6
71.01349	2.3
71.04993	5.5
73.02919	23.2
75.04452	1.9
79.05499	20.3
81.03425	24.1
81.06589	1.9
81.07059	32.7
81.26828	1.0
83.04974	4.2
83.08616	4.2
85.02910	100.0
85.06536	1.6
87.04459	2.0
88.07624	1.3
91.03963	55.6
91.05485	14.6
93.06484	1.7
93.07050	25.4
95.04974	3.2
95.08611	24.0
97.02899	77.8
97.06519	2.0
99.04463	12.1
101.02406	6.6
102.09212	1.4
103.03951	10.5
105.07036	12.1
107.04947	1.2
107.08611	13.7
109.02876	13.4
109.06499	2.3
109.10157	10.1
111.04448	3.9
111.08084	1.3
115.03957	5.3
117.05496	1.3
117.07004	5.6
119.08593	9.4
121.10159	11.3
123.11719	5.3
125.09601	1.2
127.03927	40.8
129.05493	5.3
129.07008	2.6
131.08574	8.2
133.10143	7.9
135.11700	7.2
137.09657	1.3
137.13245	1.8
143.08536	1.8
145.04971	31.1
145.10133	8.5
147.11687	6.9
149.02335	4.4
149.13269	5.7
151.11131	1.1
151.14740	1.1
155.07002	1.2
157.10178	1.3
159.06534	3.0
159.11678	5.4
161.13260	4.3
163.06032	18.9
163.14847	2.1
171.06567	1.7
171.11685	1.6
173.09576	1.4
173.13274	5.8
175.14740	1.3
181.10085	1.1
183.06566	9.4
183.11697	1.7
185.13260	2.2
187.14799	3.3
189.12711	1.3
193.05016	1.8
193.10381	1.1
199.05759	1.1
199.14844	1.4
201.07610	6.8
215.14436	1.1
219.08765	1.5
222.84238	1.0
225.16452	1.3
228.23219	2.9
233.22713	1.2
243.21053	6.1
244.80382	1.0
259.20554	3.7
261.22134	17.8
277.21600	1.5
279.23129	2.1
299.23914	1.0
303.23279	2.8
317.24548	1.7
327.23331	2.5
335.25824	58.1
336.25998	2.1
341.24704	1.5
345.24298	1.6
351.23026	2.2
363.25235	2.5
369.24197	4.2
377.26706	4.0
387.25272	2.0
405.26202	1.5
419.27805	2.0
443.27924	6.1
455.77121	1.4
461.28873	4.3
479.30057	10.3
497.30872	3.0
621.15735	1.2
740.47864	1.1
822.36322	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	818.5779
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	8.1
57.07072	2.6
57.61543	2.7
57.94739	2.5
65.03925	4.1
67.05509	52.7
69.07068	11.9
79.05504	28.3
81.07063	52.6
83.08605	7.9
88.93056	2.7
91.05495	20.5
93.07052	38.5
95.08627	41.1
97.10140	4.4
98.20720	7.2
105.07019	13.8
107.08614	31.9
109.10165	21.8
111.07980	3.2
113.07199	3.4
117.06999	6.4
119.08581	15.4
121.10161	24.4
123.11697	11.1
131.08557	13.8
133.10121	13.1
135.11702	18.6
137.13271	3.5
145.10109	12.7
147.11679	10.5
149.13257	13.4
159.11707	11.8
161.13249	9.1
163.14828	5.4
173.13293	5.9
187.14743	4.5
243.21198	4.8
259.20569	4.6
261.22263	20.9
281.87253	2.9
317.24670	5.6
333.24271	5.4
335.25821	100.0
336.26334	3.4
337.27304	9.0
369.46866	2.9
595.47009	18.0
613.48016	7.9
638.57086	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	820.593
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04991	7.1
67.05512	33.1
69.07058	8.7
74.67734	7.6
79.05482	23.9
81.07059	31.3
82.07403	7.7
91.05491	13.2
93.07051	21.4
95.08604	29.2
98.21139	49.9
105.07059	8.9
107.08571	12.3
109.10156	14.8
118.58544	6.1
119.08572	8.1
121.10116	11.6
123.11742	10.1
130.50816	6.3
135.11678	7.3
145.23300	6.0
159.11647	12.9
163.14775	6.7
166.08116	7.0
173.13513	8.6
224.43146	6.6
229.36354	10.0
261.22180	12.9
335.25824	100.0
336.26166	26.8
337.26904	8.4
375.50949	7.0
425.85870	8.4
595.46875	12.9
620.15240	7.6
644.62750	7.4
815.98181	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	816.2712
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03411	0.9
64.15088	0.6
67.01852	1.3
67.05493	0.9
69.03423	1.5
70.06570	0.8
70.39851	2.1
71.01342	0.8
77.03918	1.7
79.05498	6.4
81.03388	2.4
81.07051	0.7
83.04986	0.7
85.02922	3.2
91.05495	4.5
95.04975	6.7
96.04482	1.1
97.02862	2.4
103.05462	5.5
105.03398	63.1
105.04412	3.8
105.07009	2.2
106.03725	0.9
106.06555	16.9
107.04962	5.1
107.08603	0.6
109.02892	1.4
109.06492	0.9
113.02369	1.5
115.05491	1.4
117.05756	2.7
117.06982	1.6
120.04478	3.2
120.08099	0.8
121.06493	1.0
123.08055	1.2
127.03909	0.7
128.06232	0.8
130.06537	22.4
131.03387	0.8
131.04938	8.0
131.07332	4.5
132.04449	1.6
132.08101	5.9
133.05244	9.8
133.06311	1.1
134.02388	4.1
134.06024	30.6
135.04439	0.8
137.05934	2.0
141.01826	0.9
145.04993	1.0
145.06496	2.2
145.10127	1.6
148.03920	1.3
148.07571	20.3
149.06001	1.8
155.08543	1.0
158.06024	51.9
159.08066	2.8
160.07597	1.7
161.04724	2.3
161.06007	2.3
161.09657	0.8
163.07545	0.8
167.08459	0.9
173.05937	1.6
173.09596	2.3
175.07527	1.3
176.07082	80.0
177.05505	1.6
177.07465	1.5
183.07964	1.4
186.05472	4.6
187.07506	1.9
189.05556	1.3
189.09030	1.0
191.07016	0.9
193.04947	0.8
194.08141	100.0
195.08406	1.7
197.09685	1.0
199.07549	1.5
201.09137	3.0
202.07779	0.8
204.06569	35.6
205.10178	0.9
215.06789	0.9
217.08676	2.4
222.07614	26.4
223.07681	0.9
227.07010	0.8
229.08681	2.8
236.09137	0.8
240.08691	17.7
245.08015	1.3
247.09665	1.7
250.10791	10.6
257.07971	1.3
260.09094	3.5
271.04529	1.2
275.09244	1.8
278.10284	1.3
283.99228	0.7
296.11301	5.1
299.14432	0.9
397.37363	0.8
517.16608	1.0
546.19501	1.3
588.20898	1.8
606.22144	1.1
630.22284	1.5
634.21460	0.8
648.23016	1.5
650.22736	1.4
666.24408	1.6
668.23407	4.3
676.22839	3.6
694.23468	2.2
710.24628	4.3
711.25824	0.7
714.23724	0.7
728.25403	7.6
729.26221	1.0
752.25916	4.1
756.24652	3.2
770.26648	15.6
771.26892	0.9
774.25653	1.4
780.25183	1.3
798.25958	7.4
816.27020	26.1
817.28119	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	815.2766
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03416	1.8
61.02930	1.5
65.03944	14.2
67.05494	3.0
68.99788	1.3
69.03436	5.3
71.04971	1.3
71.51675	1.0
72.08156	1.1
78.04716	1.6
79.05495	4.4
81.03424	6.2
81.07053	1.6
82.04195	2.7
83.05005	2.9
85.02908	9.9
87.00832	1.3
91.05493	8.0
93.03407	7.8
93.50140	1.0
95.01328	2.6
95.04990	2.8
97.02882	2.3
99.04514	1.5
103.03967	1.5
103.05488	6.3
105.07044	5.9
107.04966	6.1
109.02885	3.8
109.10162	1.6
110.03658	10.9
111.04458	14.3
115.05460	3.7
119.04951	4.2
119.08612	1.9
121.06532	1.3
123.04419	3.7
124.05209	1.2
125.05993	17.2
127.03930	4.9
128.06213	2.3
129.07014	3.7
131.04953	10.2
132.05701	1.5
133.02861	2.4
133.06517	3.0
135.11707	1.4
135.60612	1.3
136.05162	1.4
137.05991	8.1
141.07037	1.4
143.04988	1.6
145.06522	2.2
147.04417	7.9
147.08086	2.4
149.06003	2.5
151.03960	1.3
151.07556	1.9
153.05479	67.6
159.08046	5.6
160.05249	1.7
161.05920	6.1
163.07533	3.0
165.05522	2.4
167.07066	30.9
171.08020	1.6
172.05231	1.6
175.07561	7.3
177.05444	4.4
177.06877	1.3
178.07779	1.8
179.07002	3.3
179.08446	1.4
185.05930	1.4
186.06799	3.9
187.07553	6.1
189.03893	1.2
189.05455	4.5
189.07010	2.1
190.07782	2.9
191.07050	7.5
191.08594	4.3
195.08151	1.9
199.07581	4.4
202.07756	3.9
203.06927	1.4
203.08609	5.6
205.06502	3.2
205.08430	1.1
206.07309	2.3
207.06453	1.3
207.08192	1.8
214.06317	1.5
215.06886	2.4
215.08699	2.7
216.07817	6.8
218.07228	4.6
219.08058	9.4
220.08797	6.1
221.06082	2.7
221.09647	3.9
223.07570	1.2
229.08638	8.3
231.08136	3.0
233.05936	2.9
233.09689	3.0
234.06807	3.2
235.07570	7.4
236.08260	6.9
237.09128	2.2
240.36494	1.1
245.05891	1.4
246.06808	2.2
247.07553	7.4
248.08241	6.2
249.09152	5.9
250.06305	1.2
250.09787	1.1
251.07069	1.5
251.07976	1.3
251.10674	11.4
253.08675	1.5
259.07544	2.2
260.08392	1.9
261.05490	3.7
261.09146	4.6
262.06259	2.3
263.07004	4.0
263.10629	3.0
264.07892	9.7
264.10544	1.7
265.08640	9.7
275.07053	3.4
276.07867	8.9
277.08624	8.2
278.09363	4.7
279.06921	1.2
279.10022	6.9
280.10965	1.8
281.08124	2.2
281.11795	2.8
287.07315	1.3
288.07855	2.5
289.08652	4.0
290.09341	2.3
291.06915	1.7
291.10190	5.9
292.07327	1.7
293.08102	4.8
293.11432	2.5
294.08810	1.8
304.07278	3.2
305.08264	3.4
306.08954	2.3
307.09647	36.4
308.10388	7.3
309.11218	5.0
311.12604	2.6
319.09662	8.9
320.10461	2.3
321.11215	2.5
323.09387	1.8
323.12643	6.5
337.10840	2.6
339.12286	100.0
340.12607	4.0
341.13931	8.3
351.12274	31.6
352.12851	2.4
353.13876	2.4
369.13345	3.2
499.17392	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.277
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02252	0.8
57.03429	1.8
60.04536	1.0
60.06994	0.8
62.40359	0.8
65.03951	15.0
67.05519	2.4
68.99816	1.1
69.03433	6.2
71.01373	1.0
71.05002	1.4
71.06681	2.1
73.02902	1.2
78.04709	1.7
79.05492	4.5
81.03419	5.4
81.07057	1.0
82.04208	2.2
83.04971	1.6
85.02915	10.5
87.00829	4.0
89.03934	1.1
91.05490	7.6
93.03423	8.7
93.07033	1.3
94.04211	0.9
95.01339	3.4
95.04977	2.4
97.02893	3.7
99.04462	1.2
103.03939	1.6
103.05470	5.4
104.06226	1.1
105.01907	1.6
105.07040	6.7
106.04170	1.4
107.04968	6.3
108.02117	1.6
109.02888	4.6
110.03681	13.8
111.04460	13.0
113.02418	1.0
115.05476	4.6
117.07049	1.0
118.04169	1.8
119.04977	6.8
119.08570	1.2
121.06527	1.8
123.04449	2.9
125.06026	16.4
127.03908	5.2
128.06248	2.4
129.01851	0.9
129.06985	4.1
130.04131	1.4
130.42374	0.8
131.04938	8.5
132.05739	1.7
133.02875	3.7
133.06479	3.2
135.04420	1.0
136.05203	1.2
137.05997	10.0
138.03163	2.2
141.07040	1.1
144.05695	1.2
145.04962	1.8
145.06512	1.9
147.04440	8.4
147.08098	1.8
149.05997	2.5
151.03943	2.5
151.07542	2.8
152.04724	1.5
153.05490	79.0
154.05888	1.1
159.02933	1.5
159.04430	1.8
159.08081	5.4
160.05150	1.3
161.06035	6.2
163.03944	0.9
163.07567	3.1
164.04718	1.0
165.05576	2.2
165.06996	1.3
167.07069	33.4
169.06534	1.3
171.04424	1.8
171.07956	0.9
172.05188	1.5
175.07547	11.3
176.04739	1.3
177.05521	2.7
178.07791	1.5
179.07050	4.3
179.08556	1.4
181.04939	1.4
184.05264	1.1
185.06003	2.6
186.06798	4.9
187.07564	8.6
189.04015	1.2
189.05489	4.2
189.07054	2.6
190.06377	0.9
190.07747	4.5
191.07057	8.2
191.08629	4.9
193.06535	1.1
194.07289	2.0
195.08144	2.0
198.06816	0.9
199.07541	5.8
202.07814	4.5
203.06943	2.1
203.08611	5.0
205.06514	3.4
206.07280	3.5
207.06396	1.2
207.08095	2.9
208.08810	1.9
208.44447	0.9
212.08400	1.0
215.07051	2.6
215.08798	1.5
216.07788	8.7
217.06573	2.0
218.07260	6.4
219.08105	10.2
220.08846	4.6
221.06058	2.5
221.09668	4.1
222.06944	1.1
223.07527	1.4
223.11270	1.1
229.06497	1.5
229.08621	9.1
230.07205	1.2
231.08125	5.9
232.08850	1.8
233.06097	2.0
233.09686	3.3
233.31717	0.8
234.04294	0.8
234.06732	4.6
234.10268	1.1
235.07610	6.2
235.11221	1.2
236.08327	6.2
237.09059	3.9
243.08383	0.9
245.09846	1.0
246.06830	2.7
247.07620	7.3
248.08301	5.1
249.05540	1.3
249.06982	0.9
249.09109	6.6
250.09888	2.1
251.06950	1.5
251.10730	13.2
253.08609	1.6
258.06778	0.9
259.07617	2.8
260.08337	2.0
261.05478	2.4
261.09125	3.9
262.06363	1.2
262.09848	1.9
263.07117	4.5
263.10669	2.8
264.07898	10.2
265.08667	10.5
266.09164	1.3
267.06503	1.1
267.10031	1.0
274.06387	1.7
275.06998	3.1
276.07898	10.3
277.08652	7.8
278.09369	5.8
279.10175	9.4
280.10904	1.6
281.08347	1.5
281.11792	3.9
287.07217	0.9
288.07843	2.3
289.05750	0.9
289.08673	5.9
290.09409	2.0
291.06738	2.2
291.10202	5.4
292.07324	3.8
293.08087	6.0
293.11591	1.8
294.09042	2.2
295.09775	1.6
296.10226	1.3
304.07346	2.4
305.08194	2.3
306.08936	2.3
307.09686	42.7
308.10538	9.0
309.11270	6.3
311.12802	3.9
319.09729	11.1
320.10403	3.2
321.11130	4.8
323.12842	8.2
324.09821	2.1
326.11530	1.4
336.09900	1.4
337.10672	2.5
337.14453	1.3
339.12332	100.0
340.12634	3.9
341.13937	7.3
351.12326	35.3
352.12875	1.8
353.14130	4.8
369.13559	1.6
404.15451	1.0
420.13751	1.0
499.17453	2.6
775.58368	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.497
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	2.5
57.07059	0.5
59.04996	0.7
61.02934	5.8
61.45002	0.5
65.03949	0.7
67.05509	6.4
67.56967	0.5
69.03434	4.0
69.07076	2.2
70.11325	2.2
72.03521	0.5
73.02921	5.4
75.04449	0.6
79.05499	4.4
81.03413	1.5
81.07065	6.6
83.08601	0.6
85.02907	5.1
91.03966	2.3
91.05487	3.5
93.07046	4.7
95.08627	5.1
97.02898	5.0
97.10228	0.6
99.04468	0.8
99.08090	0.7
101.02390	2.3
105.07052	3.6
107.04984	0.6
107.08580	3.1
109.02884	1.0
109.10168	1.6
117.07038	0.8
119.08591	2.5
121.10172	2.0
123.11713	0.9
127.03913	1.6
131.08603	1.7
133.10138	1.2
135.11765	1.5
140.51259	0.6
145.10139	1.4
147.11699	1.3
150.85292	0.5
173.58182	0.6
176.29994	0.6
186.62462	0.7
195.77226	0.5
219.17459	0.8
243.08415	2.6
268.96429	0.5
315.19312	4.7
519.29407	8.0
533.27222	7.1
559.68207	0.7
811.49689	100.0
812.50226	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	813.4921
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05008	6.1
60.52863	1.3
67.05517	2.4
68.72903	1.6
70.82322	3.4
70.82671	1.5
75.38181	1.4
79.05452	1.4
106.24732	1.4
107.08630	1.7
108.00757	1.6
122.83684	1.5
133.10100	1.4
229.61531	1.4
318.65009	1.6
461.52338	1.9
621.31604	1.6
813.49249	100.0
814.49921	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	813.5121
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	2.4
59.05005	1.8
61.02926	5.9
67.05507	4.9
69.03439	3.8
69.07076	1.6
69.86592	1.3
69.86997	0.8
71.01369	0.6
71.05008	0.8
73.02923	5.0
79.05503	4.8
81.03439	1.8
81.07062	5.2
85.02904	5.3
86.09687	0.5
87.04501	0.5
91.03960	3.9
91.05473	3.3
93.07047	4.9
93.08434	0.4
95.04990	0.8
95.08610	4.4
97.02899	4.5
99.04465	0.8
101.02405	1.7
105.07025	2.6
107.08598	2.4
109.02924	1.0
109.10175	0.9
109.59119	0.4
117.07051	1.1
119.08582	2.4
121.10154	2.1
127.03933	1.5
129.05524	0.6
131.08577	1.1
133.10146	1.2
135.11725	1.0
135.96436	0.4
145.10129	0.6
147.11765	0.9
159.11729	0.4
184.07446	0.7
185.04314	1.0
243.08405	2.1
259.20618	0.6
301.08868	0.9
335.25934	0.7
373.10971	0.9
519.29340	9.6
535.28766	4.7
536.29712	0.5
550.14117	0.4
604.90460	0.4
813.51227	100.0
814.51471	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	808.5568
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	19.7
57.07083	5.3
57.19847	3.6
58.43733	4.0
59.04993	8.2
61.02921	6.5
64.11388	4.2
65.03959	5.7
67.05177	8.0
67.05506	98.3
69.03432	8.7
69.07067	33.5
71.04986	5.4
79.05495	91.7
81.07066	100.0
83.08607	14.4
91.05484	90.9
93.07050	99.5
95.04988	8.0
95.08056	6.9
95.08614	67.2
97.06516	6.6
97.10208	6.4
105.04533	4.7
105.07036	81.7
107.08608	53.8
109.06470	5.5
109.10173	27.6
117.07018	25.1
119.08588	70.5
121.10167	42.2
123.11729	10.9
129.07008	13.5
131.08604	37.9
133.10149	49.4
135.11707	29.6
143.08588	10.0
145.10109	33.2
147.11684	41.5
149.13283	21.1
157.10120	12.1
159.11719	34.1
161.13260	27.7
162.13507	4.3
163.14780	7.7
169.10237	5.5
171.11720	11.9
173.13263	17.4
175.14832	18.0
179.21123	4.7
183.11751	6.9
185.13300	11.2
187.14812	8.5
196.37621	4.0
199.14905	8.0
231.21083	6.2
241.19502	21.6
257.18988	9.3
259.20596	58.9
261.22107	10.2
275.20306	4.3
290.78735	4.8
315.23279	5.4
333.24182	50.4
335.25821	90.7
572.87244	5.7
589.58264	4.4
593.45428	12.6
605.17310	4.5
611.37653	5.6
611.46722	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	808.5566
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	24.0
57.07074	1.8
57.39658	1.3
59.05002	8.7
61.02928	3.5
65.03934	5.3
67.05509	87.7
68.12755	1.4
69.03432	2.2
69.06698	0.9
69.07069	22.2
70.00099	5.7
71.04997	4.0
71.08619	1.4
77.03928	1.3
79.05496	71.2
81.03412	3.2
81.07061	81.3
83.04977	4.1
83.08624	11.7
85.02904	2.0
85.06549	4.6
91.04900	2.9
91.05482	56.7
93.07050	71.0
95.04983	6.0
95.08613	65.7
95.41026	1.3
97.02892	4.8
97.06525	5.9
97.10175	4.4
99.08073	3.7
103.05448	1.4
105.04543	3.3
105.07037	44.2
107.08601	40.7
109.06524	3.0
109.10154	20.8
111.08104	3.9
115.05405	1.5
115.49422	1.5
117.07038	15.4
117.09172	1.4
119.08585	32.5
121.10147	29.3
123.08100	4.0
123.11718	6.2
125.09627	2.9
125.44871	1.3
127.03931	1.5
128.06238	1.3
129.07021	6.1
131.08588	25.0
133.10146	25.5
135.08034	2.4
135.11699	15.7
137.09628	1.7
137.13289	2.3
143.08542	7.7
145.10138	18.9
147.11688	15.1
149.09764	1.6
149.13254	9.5
151.11182	2.0
157.10152	5.7
159.11711	13.1
161.09634	2.2
161.13260	10.4
163.11171	1.9
163.14812	3.4
165.12746	1.4
169.10129	1.6
171.11748	6.2
173.13220	6.6
175.14803	6.1
177.12794	1.4
185.13240	5.1
187.14786	7.2
191.14336	1.4
199.14790	3.2
201.16353	2.3
203.14499	1.9
205.15982	3.1
213.16438	1.9
221.19119	3.0
231.21040	1.7
241.19533	7.0
243.21086	3.5
257.19058	2.4
259.20572	22.5
261.22314	7.8
277.21619	12.5
293.20975	2.5
333.24307	10.8
335.25824	100.0
336.25909	2.9
337.27383	1.9
351.25317	30.8
489.36014	2.2
529.38599	3.1
593.45508	2.1
611.46759	32.8
612.47034	3.0
667.52368	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	806.5418
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03425	7.0
57.07062	2.2
59.04989	2.1
65.03931	2.8
67.05508	42.8
69.03411	1.8
69.07068	17.3
69.22209	9.6
69.22628	5.2
69.69920	1.5
79.05073	2.8
79.05499	37.9
81.03429	3.7
81.06600	2.8
81.07066	51.9
83.04990	2.8
83.08609	7.9
85.06551	2.5
86.09692	4.1
87.82510	1.6
91.05487	36.2
93.07053	35.3
95.01342	3.4
95.04954	5.0
95.08612	33.3
97.06535	6.7
98.20792	2.7
105.07046	35.7
105.07690	1.1
107.04949	5.4
107.08607	16.6
109.06514	7.1
109.10176	12.7
111.08034	2.2
117.07036	8.4
119.08590	24.7
121.06464	1.9
121.10152	10.2
123.08086	2.4
123.11667	2.5
125.00076	2.3
129.07051	2.3
131.08588	14.8
133.10127	17.6
135.08084	2.7
135.11656	8.8
137.09615	4.6
143.08594	1.7
145.10138	12.0
147.11703	8.5
149.09592	3.6
149.13251	2.8
157.10114	2.2
159.11682	8.3
161.13266	1.8
163.11165	2.2
167.07243	1.8
173.13318	2.6
173.67578	1.9
177.88554	1.4
179.14331	3.0
184.07382	7.8
185.07547	1.8
186.07758	1.4
219.17461	33.5
245.90614	2.1
247.20708	1.8
257.19052	2.9
275.20084	31.6
335.25839	70.8
349.23773	22.3
476.67548	1.7
505.62689	1.7
542.48987	1.6
609.45154	100.0
610.45178	5.8
665.51404	2.7
806.51276	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	806.5774
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	5.8
57.27533	1.5
60.98389	1.6
61.02912	3.7
62.64755	1.7
67.05187	2.6
67.05509	37.5
69.07076	9.9
71.52866	2.4
79.05491	21.3
81.07058	37.0
83.04989	1.9
83.08617	4.9
85.02894	3.6
91.05486	13.6
93.07047	30.3
95.08601	30.6
97.02849	2.3
97.10149	2.5
97.71211	1.9
99.08102	1.8
105.07019	11.4
107.08588	15.8
109.10143	12.2
112.47459	2.0
117.07027	5.2
118.45549	1.7
119.08544	8.8
121.10147	14.6
123.11700	5.3
131.08577	9.1
133.10121	7.8
135.08069	3.4
135.11710	10.3
145.10127	6.1
147.11703	5.6
149.13235	6.1
157.10152	3.1
159.11688	5.8
161.13258	4.9
163.14822	2.7
173.13301	3.9
175.14848	3.6
179.14400	3.4
184.07333	2.1
194.10268	2.3
207.17482	1.7
211.78894	1.9
221.11787	1.6
243.21036	2.8
259.20590	4.8
261.22183	16.2
304.26291	5.1
317.24643	2.7
331.26282	1.8
333.24326	1.8
335.25800	100.0
336.26187	4.2
337.27216	4.0
374.30499	1.9
387.28799	8.3
427.86932	1.7
595.47211	14.5
613.47791	4.1
665.51208	14.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	804.5387
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05026	1.0
58.06604	0.6
59.04987	1.2
60.08166	6.7
67.05505	0.6
71.07375	3.9
71.08617	0.3
71.26078	0.4
75.10406	0.3
78.01681	0.3
81.07066	0.5
86.09710	32.6
86.19521	0.3
97.63383	0.3
98.98475	3.5
104.10734	3.1
117.07044	0.3
117.09127	0.5
121.08568	0.3
125.00013	21.4
133.63118	0.3
137.06006	0.8
184.07349	100.0
185.07686	0.9
198.71420	0.3
208.00600	0.3
216.01929	0.3
399.98862	0.3
496.33624	0.4
707.04022	0.4
772.50897	1.0
804.53943	8.7
804.68860	0.6
805.54773	0.7
833.34052	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.5333
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	2.6
57.07067	0.7
59.05003	5.0
61.02933	5.9
65.44884	0.6
67.05512	6.5
69.03447	3.4
69.03757	0.7
69.07079	2.1
71.17989	0.9
73.02920	4.6
79.05505	3.6
81.03443	1.7
81.07063	6.8
83.08614	1.2
85.02914	4.3
91.03960	3.6
91.05505	1.3
93.07043	3.9
95.04987	0.7
95.08600	5.2
95.09064	0.5
97.02895	4.6
99.04468	1.3
101.02403	1.5
105.07030	0.6
107.08642	1.8
108.19144	0.5
109.10161	1.8
117.07035	0.7
117.09146	0.8
119.08605	0.9
121.10189	1.4
123.11743	0.9
127.03954	1.7
132.27797	0.5
133.10117	0.7
135.11687	0.8
147.11699	0.6
149.13275	0.7
154.97504	0.5
161.13297	0.5
185.04263	0.9
230.13383	0.5
243.08531	1.7
335.26196	0.6
519.29364	7.9
521.30933	6.2
522.31183	0.6
799.53326	100.0
800.53821	6.0
826.09338	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.5175
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	2.2
57.07068	0.4
59.05008	0.4
61.02934	8.3
67.05508	6.3
69.03435	4.8
69.07074	1.2
69.86109	0.3
70.42072	0.4
71.01353	0.5
71.04977	0.9
71.25211	0.7
73.02930	5.0
79.05497	4.5
81.03429	2.3
81.07064	6.7
83.04939	0.5
83.08607	0.5
85.02915	6.2
87.04498	0.6
91.03974	3.9
91.05482	2.4
93.07047	5.4
95.04981	0.6
95.08609	5.3
97.02896	5.4
99.04444	0.5
101.02374	2.3
103.03986	0.5
105.07062	2.0
107.08619	2.8
109.02931	0.9
109.09544	0.4
109.10131	1.7
119.08625	1.2
119.47434	0.4
121.10158	2.0
127.03948	1.8
129.05470	0.4
131.08589	0.9
133.10149	0.9
135.11739	1.1
145.05005	0.6
149.13295	0.5
171.40195	0.4
185.04274	0.7
203.05328	0.9
223.81635	0.4
243.08450	1.9
335.26007	1.4
519.29358	14.8
520.29486	0.6
797.51776	100.0
798.52173	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	798.2821
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	17.7
59.05011	6.3
61.02932	4.0
62.87177	0.9
65.03944	4.9
67.01872	2.0
67.05509	10.0
68.99793	1.3
69.03435	44.9
69.07083	0.9
70.06577	1.2
70.84861	1.2
70.85181	1.2
71.01353	6.1
71.04994	6.8
72.81951	0.8
73.02924	10.3
74.06087	0.8
79.05498	5.2
81.03425	43.6
81.07063	1.5
81.41206	1.0
83.01347	3.8
83.04989	56.7
85.02910	50.2
86.29038	0.9
87.00847	1.9
87.04489	3.5
89.02398	2.5
91.03957	1.1
91.05484	16.7
93.03421	4.0
93.07030	1.8
94.04179	1.8
95.01327	5.8
95.04976	13.7
97.02904	16.6
97.06579	1.2
98.03230	0.9
99.00824	11.0
99.04456	14.2
101.02391	7.6
103.03951	4.9
103.05476	9.1
103.36082	0.9
105.03391	2.2
105.07027	1.6
107.04968	4.7
109.02884	9.4
109.06537	0.9
111.04450	100.0
112.04762	1.3
113.02373	20.2
113.06020	1.3
114.66014	0.9
115.03964	2.8
119.04951	1.6
119.08584	1.3
121.02930	1.7
121.06487	1.8
123.00803	2.1
123.04417	4.8
125.02325	2.1
127.03938	5.9
129.01860	7.2
129.05489	35.6
129.07019	2.6
131.03421	2.6
131.04956	8.1
134.05981	1.3
135.04439	4.2
137.02287	1.0
137.06000	2.3
139.03941	6.0
141.01831	13.3
141.05482	1.2
141.07086	1.0
143.03395	2.4
145.04982	8.8
147.04453	1.8
147.06512	5.6
149.05997	3.3
151.03937	4.1
153.05490	2.9
153.07068	1.0
155.03438	2.6
157.04970	3.6
158.06035	1.1
159.02925	4.4
161.06073	1.1
163.03899	1.9
165.05550	2.1
165.06960	2.2
166.07805	8.5
167.03436	1.9
169.04930	1.1
171.02917	2.7
173.04544	1.7
175.06088	5.6
176.07089	1.0
177.05502	2.8
179.03378	1.6
179.08482	1.9
181.04993	2.2
181.10136	18.9
183.06715	1.4
183.08644	3.5
185.04521	2.0
190.07874	1.3
191.03374	1.7
191.08521	1.9
193.04877	1.3
194.08102	1.9
195.02852	5.3
195.06606	2.1
195.08411	1.4
197.04417	2.2
202.07755	1.0
203.05507	1.9
203.08649	3.1
204.09433	2.2
205.04987	3.0
205.10155	17.4
209.04289	1.3
211.02518	1.1
213.07553	1.2
215.05516	1.4
215.08592	17.4
216.09071	1.0
217.07074	2.3
217.10191	0.9
219.06470	1.0
221.04655	1.0
222.07562	1.3
223.06030	1.9
227.05486	1.2
231.08488	2.1
233.07097	1.6
233.09605	19.5
239.05617	2.6
241.07050	6.8
243.05197	1.0
243.08337	2.8
251.05641	2.7
257.02896	1.5
257.06592	3.3
259.08185	6.3
261.09119	12.7
269.06674	7.1
271.04419	2.5
275.04086	0.8
275.07614	3.8
276.29013	1.0
277.09094	4.6
279.10187	5.6
285.06003	1.3
287.07654	21.3
297.06110	2.6
305.08676	19.2
315.07117	4.1
323.09781	3.1
333.08286	1.3
339.07101	1.6
353.08517	1.1
357.08234	1.6
367.06720	1.8
371.09521	2.5
381.08203	3.7
385.07617	6.0
387.09439	2.2
391.11588	1.0
399.09222	13.8
403.08591	3.5
417.10345	8.9
435.11310	1.8
497.09061	3.1
515.10443	7.1
517.14270	1.2
537.17328	1.4
547.15808	3.2
565.17059	23.4
565.25934	1.4
583.18146	24.9
584.18463	1.7
593.16431	2.1
601.18622	1.2
611.17645	1.5
649.18713	1.2
659.17633	1.1
677.18573	5.3
695.19733	11.8
713.20520	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	796.2663
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	9.4
59.05006	9.1
61.02919	1.9
64.23669	1.4
65.03943	5.0
67.01865	1.8
67.05511	13.9
69.03438	28.2
69.19862	6.2
69.20289	8.3
70.06585	1.3
71.01369	9.5
71.04996	5.1
73.02937	8.0
79.05494	7.5
81.03427	42.5
81.07074	1.9
83.01375	7.1
83.04992	54.3
85.02915	34.8
87.00851	2.8
87.04491	2.2
91.05488	25.5
93.03410	6.0
94.04173	2.3
95.01339	3.1
95.04981	21.7
97.02900	17.1
97.06528	2.0
98.21469	2.8
99.00818	20.2
99.04473	8.9
101.02382	7.2
103.05480	11.2
105.03475	1.8
107.04980	6.2
109.02876	13.2
109.06561	2.2
110.97605	1.5
111.00839	3.7
111.04456	100.0
113.02367	17.8
113.06023	3.2
115.05509	1.8
119.04961	3.6
119.92491	1.5
121.02901	5.3
121.06534	1.9
123.04420	8.9
125.02393	5.4
127.03947	9.6
129.01849	7.8
129.05475	12.6
129.07007	2.9
131.03423	1.8
131.04935	6.6
135.04475	6.3
137.05974	4.5
139.03917	7.9
141.01848	3.5
141.05444	1.9
143.03459	2.4
145.04982	10.4
147.04472	2.8
149.06046	1.8
151.03911	5.0
153.01866	2.0
153.05544	2.1
155.03430	5.7
157.01309	1.7
157.04976	3.9
157.06400	1.9
165.05510	4.6
165.06982	3.4
166.07796	9.1
167.03442	3.8
169.04919	2.5
173.04520	2.1
179.03421	2.3
179.08647	2.4
181.10129	20.8
181.11610	1.7
183.06650	2.4
185.04459	1.8
187.02391	2.7
193.04993	3.7
203.08661	4.6
204.09326	2.8
205.10136	23.0
209.04463	1.6
211.06003	3.9
215.08574	22.8
219.07999	1.7
229.07051	2.5
233.09645	21.6
239.05556	6.2
241.03363	2.0
241.07152	2.7
243.08159	6.3
257.06592	13.5
261.09146	13.3
267.05054	2.7
275.07568	7.5
279.10269	4.3
285.06073	13.7
289.05576	1.7
303.07144	17.2
313.05569	4.2
331.06644	3.6
341.08713	1.7
357.08069	2.1
369.08200	3.6
371.06219	2.2
383.05978	5.0
387.09195	2.8
397.08011	7.1
401.07056	5.0
415.08740	34.3
429.06442	9.0
433.09726	8.4
457.61792	1.7
461.48938	1.4
476.14410	1.6
485.09308	1.9
495.07672	3.2
513.08691	12.9
517.14648	2.7
531.09979	4.0
563.15649	11.6
581.16418	12.0
599.17218	1.9
609.16113	3.7
630.53400	1.7
665.17816	2.7
675.16736	5.7
693.18158	18.0
711.18597	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.4289
Annotation	Unknow
Peak:m/z	Relative Intensity
60.57781	0.7
62.25726	0.8
67.05505	1.5
70.13150	2.1
70.13554	1.4
71.61202	0.7
81.07052	0.8
87.04468	2.1
95.08620	1.0
125.00022	0.8
184.07271	1.3
251.27345	0.7
296.23257	0.8
315.30145	0.8
535.27325	1.3
691.40149	4.5
795.42963	100.0
796.42926	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	796.2664
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	4.7
59.04995	2.7
65.03960	2.4
67.01867	2.1
67.05514	6.5
69.03433	16.3
70.01866	3.8
71.01353	4.0
71.04989	3.9
73.02917	3.8
79.05510	8.0
81.03428	23.6
81.07059	2.8
83.01337	2.1
83.04990	25.9
85.02910	15.4
91.05490	14.1
93.03403	2.9
93.07046	1.5
94.04221	1.3
95.01337	1.9
95.04981	10.0
96.04507	1.3
97.02908	7.7
99.00835	6.3
99.04467	4.7
101.02376	3.5
103.05463	6.9
105.03423	1.8
105.07040	2.6
106.06559	17.2
107.04926	2.9
109.02896	7.2
109.06537	2.7
111.00806	1.6
111.04450	48.0
113.02369	7.0
115.05446	1.6
117.05785	3.8
117.07013	2.3
119.04929	2.1
119.08553	1.6
120.04504	3.1
120.08117	1.8
121.06542	2.7
123.00827	1.2
123.04458	4.4
124.03902	1.3
125.05999	1.5
127.03949	5.7
128.06204	1.5
129.01863	4.0
129.05486	6.9
129.07001	2.9
130.06544	25.6
131.04930	5.2
131.07288	4.3
131.08517	1.1
132.08089	8.5
133.05263	15.0
133.06346	1.9
134.02370	5.2
134.06026	37.3
135.04398	3.3
137.05980	3.7
139.03899	3.5
141.01871	1.8
145.04970	3.1
145.06519	2.6
145.10152	1.4
147.04399	2.1
148.07590	20.1
149.05974	2.5
149.09645	1.5
151.03908	1.7
153.05542	1.9
155.03384	1.9
155.08585	1.8
158.06027	56.8
159.06604	1.3
159.07999	2.6
160.07661	1.9
161.04706	2.1
161.05977	1.9
161.09528	1.2
165.05493	4.3
165.07022	4.0
166.07776	4.2
171.07938	1.4
173.06046	1.7
173.09630	3.3
175.07607	1.6
176.07088	91.1
177.05467	1.4
177.09140	1.7
179.08575	2.0
181.04842	1.6
181.10106	11.7
183.08041	1.5
186.05502	6.5
187.07513	3.0
189.05511	2.3
189.09200	1.5
190.07709	1.3
191.07106	1.7
191.08699	1.3
193.04984	2.0
194.08145	100.0
195.08322	1.2
201.09154	4.9
203.08633	1.8
204.06573	42.3
205.10162	8.8
211.07706	1.7
215.08658	11.3
217.08545	2.3
222.07634	30.9
229.08813	5.7
233.09689	9.8
240.08705	12.6
243.05115	1.1
243.08078	1.3
250.10773	8.1
257.06641	5.1
260.09311	2.5
261.09152	5.2
263.95636	1.2
267.04770	2.1
275.07373	2.4
279.10178	2.2
285.06049	8.9
296.11270	3.2
303.07190	13.9
321.08252	1.7
378.65009	1.4
383.05920	3.0
397.07709	2.1
401.07001	2.9
415.08856	8.4
419.08044	1.3
428.59763	1.3
429.06781	1.5
433.09668	2.5
513.08636	4.8
531.09961	1.6
535.15833	1.5
563.15625	7.7
581.16699	14.3
588.21155	1.7
599.17462	1.7
630.21570	4.0
648.23126	2.2
658.20966	1.8
675.17523	1.9
676.21844	2.7
690.23639	4.3
693.17944	4.0
708.24994	10.9
718.23364	1.8
732.25195	2.1
736.23450	1.9
750.26013	27.5
751.25879	2.6
754.25604	1.7
760.24146	2.0
778.26782	6.3
796.26587	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	794.5781
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	15.3
57.07088	7.3
59.05011	1.9
61.02930	3.3
65.03953	3.6
67.05512	100.0
69.03427	2.2
69.07074	32.3
70.64258	2.1
70.64590	1.3
71.05008	1.5
71.08636	2.5
77.03928	1.4
79.05502	50.5
81.07066	98.5
83.04977	1.5
83.08629	23.2
85.02912	3.3
85.06551	3.0
87.04484	2.3
91.03954	1.4
91.05491	27.8
93.07054	49.5
93.28977	1.1
95.04971	3.9
95.08618	75.4
97.02908	1.7
97.06539	4.8
97.10182	8.3
99.08131	2.6
105.04548	1.1
105.07039	23.7
107.08607	24.7
109.06569	1.3
109.10161	32.3
111.08107	4.1
111.11685	1.3
117.07056	4.8
119.08589	19.0
121.10149	26.6
123.11731	11.9
125.09672	1.4
129.07095	1.2
131.08589	12.1
133.10133	16.1
135.11725	16.1
137.13268	4.4
143.08624	1.6
145.10146	9.3
147.11696	10.9
149.13275	10.0
151.14795	1.8
155.89754	1.1
158.62762	1.2
159.11732	5.5
161.13272	6.9
163.14836	5.5
165.12930	1.5
171.11700	2.4
173.13319	6.8
175.14859	3.4
177.16527	2.9
184.07465	1.3
187.14896	2.8
189.16379	2.1
199.14838	1.5
201.16328	2.0
233.22597	1.2
241.19600	2.7
243.21167	7.7
245.22704	3.5
259.20627	3.0
261.22211	21.9
263.23773	5.1
273.22195	1.1
317.24847	4.2
333.24478	4.3
335.25851	76.9
336.26236	3.2
337.27402	81.9
338.27710	3.9
339.28854	4.4
523.44989	2.6
597.48822	29.2
598.48871	1.4
615.49872	19.4
776.67627	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.4348
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	1.8
61.02930	5.9
62.60423	0.7
67.05515	5.6
69.03446	4.0
69.07069	1.6
70.00084	3.2
73.02921	5.1
79.05494	4.7
81.03415	5.6
81.07056	6.0
83.04929	0.7
83.08605	1.4
85.02924	7.7
87.65992	0.7
91.03963	2.8
91.05502	3.2
93.06560	0.8
93.07058	4.5
95.08612	4.3
97.02885	5.2
101.02428	1.5
105.07065	2.5
107.08615	2.3
109.02906	1.2
109.10168	1.2
119.08636	1.3
121.10168	2.3
127.03939	2.0
131.00456	0.7
131.08580	0.9
133.10124	1.5
135.02577	0.7
135.11711	1.4
147.11760	1.5
157.10123	0.8
161.13304	0.9
185.04327	1.0
243.08498	2.1
251.12631	1.3
297.13217	1.3
335.25803	1.1
469.20541	3.2
501.34659	1.0
515.21069	2.4
519.29327	9.5
593.77405	0.8
747.42859	3.2
778.36591	0.9
793.43427	100.0
794.43579	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	792.5625
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	17.6
57.03448	12.0
57.07071	4.1
59.04998	3.3
61.02908	2.1
65.03928	5.4
66.54399	1.5
67.05511	80.7
69.03412	2.0
69.07072	22.4
69.96944	6.1
69.97369	3.8
74.09708	2.9
79.05499	53.5
81.07061	67.6
83.04995	1.9
83.08610	9.5
85.02895	4.2
85.07632	1.5
88.85172	1.9
91.05489	29.1
93.07051	54.2
95.04958	3.1
95.08615	56.8
97.02930	2.1
97.06530	3.9
97.10164	5.7
101.06033	1.8
105.04517	2.0
105.07037	26.6
107.08597	31.2
109.10157	27.3
117.07035	9.5
119.08598	18.0
121.10157	26.2
123.11700	7.9
129.06956	2.2
131.08566	16.9
133.10133	17.3
133.29520	1.6
135.11708	16.9
137.13248	3.8
143.08568	3.0
145.10109	12.6
147.11658	12.5
149.13246	10.4
157.10094	2.5
159.11726	11.5
161.13235	10.9
163.14838	6.2
171.11710	2.2
173.13332	10.5
175.14809	6.4
179.14217	2.2
184.07364	4.0
185.13329	2.9
187.14824	5.2
199.14845	2.2
215.17822	1.7
241.19481	2.5
243.21034	6.1
259.20520	7.5
261.22049	17.8
317.24667	4.0
333.24136	4.3
335.25833	100.0
336.26318	3.2
337.27551	8.1
364.70517	1.9
420.27359	2.1
424.00897	1.9
589.90851	1.9
595.47278	14.3
613.48163	7.2
689.25055	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	792.5618
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.7
55.05267	1.6
55.05517	20.6
56.29338	1.0
57.03193	1.2
57.03445	12.7
57.07066	2.8
58.25810	1.2
61.02918	2.9
65.03947	3.1
67.05511	80.0
69.03428	1.6
69.07074	17.1
71.05000	2.6
77.03936	1.4
79.05499	44.1
81.03411	1.1
81.07063	72.2
82.07378	1.0
83.04990	2.4
83.08632	10.2
85.02937	2.5
85.06509	2.7
91.05486	30.5
93.07051	58.3
95.04976	2.6
95.08615	54.6
97.02893	1.6
97.06531	3.1
97.10153	3.6
98.21124	7.3
99.08097	1.2
105.04533	1.6
105.07040	20.0
107.08607	29.6
109.10168	25.2
111.08083	1.8
117.07033	9.4
119.08590	19.0
121.10154	23.3
123.08072	1.7
123.11714	10.1
129.06981	2.1
131.08568	15.1
133.09160	1.2
133.10141	16.6
135.11700	14.9
137.13271	3.1
137.46368	1.2
139.11180	1.1
143.08565	3.4
145.10158	10.8
147.11707	13.2
149.13280	8.4
153.12726	1.0
157.10188	2.2
157.43388	1.0
159.11678	10.6
161.13263	10.3
163.14807	6.3
165.16383	1.1
171.11667	2.5
173.13319	7.2
175.14848	4.0
177.16463	2.2
179.14384	1.4
183.11615	0.9
185.13281	2.9
187.14844	3.8
189.16330	2.3
199.14746	1.5
201.16396	1.4
213.16412	1.1
222.24432	1.1
229.51012	1.1
241.19588	2.6
243.21115	6.4
247.20757	1.3
259.20581	7.6
261.22162	19.0
317.24792	4.1
333.24338	5.3
335.25830	100.0
336.26068	4.4
337.27402	9.7
521.43146	1.4
557.69879	1.2
595.47174	13.7
613.48285	10.3
635.87299	1.3
662.29712	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.523
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.4
56.05030	0.9
58.06606	0.5
59.04996	0.3
60.08168	7.0
67.05496	0.5
71.07375	4.0
71.08636	0.4
71.52660	0.5
75.71395	0.3
79.05505	0.5
81.07063	0.6
86.09712	34.3
89.06036	0.4
91.05490	0.3
93.07062	0.7
95.04960	0.3
95.08622	0.3
98.98476	3.6
104.10757	2.9
107.08633	0.4
124.81439	0.2
125.00014	22.9
126.93948	0.3
137.05991	0.6
183.40625	0.3
184.07353	100.0
185.07712	0.8
284.32498	0.3
335.25998	0.4
457.16348	0.3
496.34085	0.5
541.71979	0.3
772.51013	0.8
790.52338	8.7
791.52045	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.2923
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.7
55.05524	0.2
57.03425	0.5
60.04527	0.2
61.02919	0.4
64.38586	0.2
67.05508	0.3
68.99788	0.3
69.03432	2.8
69.33931	1.4
71.04990	0.4
73.02917	0.4
76.81439	0.2
79.05495	0.4
81.03423	2.6
85.02908	4.4
86.09705	0.4
87.00844	1.8
91.03983	0.3
91.05489	1.8
91.24036	0.1
93.07037	0.2
95.04970	0.2
97.02892	1.9
99.04475	1.0
103.05470	0.5
105.01904	0.9
105.03382	0.8
105.07054	0.8
107.04959	0.9
108.04473	0.3
109.02901	1.8
111.04438	0.3
114.37006	0.2
115.05431	1.1
116.06252	0.3
117.01838	0.4
117.07045	0.8
119.05024	0.2
121.06509	0.5
127.03931	2.8
128.06236	2.1
129.01877	0.3
129.07022	5.2
130.07811	0.4
131.04950	0.6
131.08578	5.6
132.05771	0.3
133.06505	1.0
133.10152	0.3
133.80989	0.2
137.05977	0.3
138.58879	0.2
139.05481	0.2
141.06001	0.2
141.06999	2.2
142.07784	0.6
143.08598	1.4
144.05713	2.4
145.04945	0.7
145.06514	1.8
145.10103	0.3
146.07262	0.9
147.04372	0.5
152.06239	0.3
153.06995	0.6
155.06029	0.4
155.08525	0.2
156.05617	0.2
157.06499	2.9
158.07278	0.9
159.02957	1.1
159.08066	9.9
160.05219	0.2
160.08586	0.3
161.05949	0.6
161.09636	3.1
163.11186	0.2
166.31277	0.2
167.04874	0.2
167.07079	2.1
169.06433	0.4
169.07639	0.9
170.07262	2.1
171.08041	2.6
171.09346	0.2
172.05159	0.7
173.05991	1.7
173.09604	0.5
174.06712	0.6
175.07596	0.8
177.05444	0.3
178.06259	0.3
181.08664	0.3
184.05293	0.2
185.05894	0.2
186.06755	0.4
187.07559	7.9
188.08231	0.5
189.05479	0.6
189.09131	3.7
190.06253	0.5
190.09546	0.2
191.07028	0.5
191.08615	0.2
192.07858	0.3
193.08611	0.6
198.06816	0.6
199.07521	1.2
201.05510	0.3
201.09126	1.5
203.07001	1.6
203.10703	0.2
204.07837	5.0
205.08614	0.9
206.09413	0.5
207.10104	0.2
216.07814	1.5
217.08606	0.5
218.09387	0.7
219.10202	0.7
221.08142	0.4
221.11684	1.4
231.05061	0.6
231.10182	3.1
233.11742	7.8
234.08858	0.5
247.09723	0.3
249.11234	100.0
250.11617	2.3
351.12262	0.2
383.14957	0.2
385.16660	0.3
497.16434	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	788.479
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	19.1
57.03445	20.2
57.07077	3.0
62.98046	2.5
65.03928	2.8
67.05509	57.6
69.03432	3.3
69.07076	14.4
69.73811	6.8
69.74236	7.6
70.06544	2.5
71.04997	3.9
79.05504	51.0
81.03421	74.6
81.07065	55.3
83.04990	5.8
83.08617	23.4
85.02903	3.4
86.09714	6.5
89.22230	2.2
91.05482	34.7
93.07061	43.5
95.04969	26.2
95.08616	41.6
96.97502	2.3
97.02895	5.7
97.06549	5.4
97.10197	6.6
105.07029	27.1
107.04971	6.1
107.08621	27.2
109.06531	3.6
109.10171	17.2
111.08098	9.0
117.07034	3.0
119.08588	26.3
121.06544	3.7
121.10147	24.3
123.11710	7.2
129.06990	11.8
131.08578	21.2
131.15836	2.6
133.10149	10.7
135.11682	11.2
143.08606	5.5
145.10162	7.9
147.08020	4.3
147.11702	13.3
149.09625	6.3
149.13287	6.1
155.01726	2.5
157.10149	7.9
159.11671	7.5
161.13248	3.6
163.11223	2.4
163.14880	4.4
173.13312	6.5
175.11230	6.1
175.14702	3.2
184.07359	15.2
189.28311	2.4
193.12247	15.7
212.00104	2.6
227.12790	5.9
243.21164	6.5
261.22141	21.0
267.15936	85.2
301.25339	4.0
317.24744	3.6
331.17450	3.9
335.25842	100.0
435.32733	6.2
453.33691	9.5
458.06454	2.7
471.34784	3.3
527.37311	51.7
545.38403	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	789.5156
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	12.5
55.05519	22.8
56.42938	3.7
57.03427	14.5
59.04993	17.2
67.05521	51.8
69.07083	27.2
69.18205	6.5
69.18616	38.1
75.44019	4.0
79.05505	46.8
81.07080	56.2
83.04980	7.7
83.08626	8.0
84.86974	4.9
86.09703	9.9
89.06046	4.2
91.05495	47.1
93.07060	57.3
95.01316	7.7
95.04954	4.9
95.08627	42.3
97.06545	11.3
97.10162	4.1
98.21539	9.8
105.07053	53.2
107.04944	10.9
107.08613	24.7
109.06474	4.8
109.10148	12.9
112.84715	4.3
117.07027	17.5
117.09238	5.4
119.08603	33.0
121.10150	16.0
125.09643	6.8
131.08577	26.0
133.10158	33.0
135.08018	6.4
135.11708	9.8
143.08571	9.4
145.10118	14.0
147.11711	14.7
159.11731	9.3
161.13263	7.1
173.15398	5.1
177.12773	5.8
179.14268	7.3
184.07362	26.9
200.56476	4.0
219.17477	69.8
275.20102	61.7
286.37045	4.6
335.25876	55.6
336.26389	6.6
349.23560	23.1
563.38971	6.4
609.36218	7.0
609.45197	100.0
644.18927	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	788.2764
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.8
61.02911	0.7
61.37287	0.7
63.64621	0.8
65.03928	3.7
69.03426	3.0
70.65810	1.9
70.66152	1.0
73.02909	0.8
75.80653	0.9
78.03445	1.2
79.05492	1.0
80.05024	3.7
81.03413	1.5
81.07079	1.0
83.04974	1.3
85.02904	4.6
91.05463	1.1
93.03390	1.2
96.04488	3.6
97.02885	1.7
99.04469	0.9
105.07042	1.2
109.10181	0.9
111.04498	1.1
116.30202	0.7
119.08562	1.1
121.02879	100.0
122.03202	1.4
124.03964	79.7
125.04356	1.0
130.14580	0.8
131.04897	1.4
131.08531	1.7
133.06563	1.2
137.06038	1.0
139.80382	0.8
145.10146	1.3
147.08066	2.3
147.11678	0.8
149.09645	1.0
157.10109	1.5
159.08038	2.3
163.03905	11.5
175.07538	5.3
187.07506	1.1
187.11198	1.1
189.12828	1.5
193.08626	10.3
199.11192	2.2
215.10677	1.6
217.12198	2.5
227.10594	1.9
233.11707	1.7
235.09708	9.8
245.11745	8.9
263.12863	2.6
287.12708	0.9
305.13962	2.2
413.22629	0.8
431.17123	2.2
443.17279	1.3
506.20184	2.0
626.22357	19.1
691.90198	1.1
749.47241	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.4911
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	3.8
55.05512	7.0
57.03428	0.9
57.07068	2.1
59.04998	1.9
60.08155	0.7
62.06073	0.8
65.03932	0.9
67.05508	19.8
67.05858	0.6
69.07062	6.8
69.92000	3.0
71.08624	1.1
79.05493	11.3
81.07056	38.4
83.04993	3.3
83.08624	3.0
84.67577	0.6
85.06535	1.2
86.09709	2.1
91.05490	5.5
93.07047	7.8
95.04968	1.1
95.08611	16.0
97.06507	1.8
97.10174	0.8
98.98457	0.8
105.07037	5.7
107.08596	6.5
109.06514	10.6
109.10148	5.6
110.10629	0.6
111.04434	15.5
111.08066	2.0
119.08579	6.1
121.10151	4.8
121.47277	0.6
123.08049	2.0
123.11699	3.0
125.00031	2.0
125.06004	6.3
131.08585	2.8
133.10129	6.6
135.08029	2.8
135.11688	5.0
137.05980	100.0
137.13263	2.2
138.06302	1.1
139.07558	0.8
142.07764	0.7
143.08606	1.0
145.10121	1.1
147.08020	2.0
147.11690	8.0
149.09607	4.4
149.13252	1.7
151.07539	4.0
151.11148	1.0
157.10158	2.2
159.11697	1.1
161.09605	7.2
161.13275	2.7
163.11171	4.1
163.14847	1.6
165.09105	2.7
167.10701	1.0
171.11684	1.4
175.11186	5.4
175.14864	1.8
177.12897	0.8
177.16537	0.9
179.10695	3.1
181.12294	0.7
184.07356	8.4
185.07846	0.8
185.13300	0.8
189.12791	1.8
191.14337	0.8
193.12212	1.5
203.17943	6.6
213.16396	2.6
221.19044	2.2
231.17435	9.2
235.20781	0.6
241.15875	1.0
249.18466	5.3
276.19675	0.8
277.17990	46.4
278.18344	1.5
295.19022	7.9
303.05576	0.7
306.27911	1.5
309.20578	0.6
320.22229	6.8
337.27325	1.5
351.21707	2.7
352.24677	0.7
460.28366	0.9
478.29330	1.4
494.21713	0.6
495.32361	0.7
613.44635	69.6
614.44946	3.7
645.47278	46.0
646.47369	2.6
736.46039	0.7
754.46246	1.4
769.60956	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.1666
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05028	1.8
58.99596	1.1
61.02925	3.5
65.03937	1.0
67.01880	1.1
68.99804	5.3
69.03430	2.3
71.50338	1.5
75.41402	0.9
76.02237	2.5
77.52411	1.0
80.05009	1.5
81.03419	2.9
82.06567	2.7
83.06111	16.8
84.04513	12.4
85.02905	6.1
91.03949	1.3
93.86586	0.9
96.04510	1.6
96.97509	1.1
97.02891	3.6
99.05568	2.4
99.17863	0.9
100.03956	1.3
107.06101	7.8
108.04467	2.6
109.02884	1.1
109.07655	23.1
110.06024	1.7
110.99014	3.4
111.00792	2.6
112.03974	4.0
123.00811	1.4
127.03937	57.7
127.04942	1.8
129.06621	19.3
130.05005	5.5
131.04536	1.2
135.05563	2.9
136.03978	6.5
138.98523	5.7
141.04785	1.3
145.06087	1.9
152.96431	5.5
153.01851	51.2
153.05443	2.0
153.06604	21.1
154.04974	1.6
155.07021	1.5
155.08177	15.6
162.02199	1.5
162.15797	0.9
165.00130	1.2
165.01848	1.7
166.98016	10.7
167.07011	1.3
168.05338	1.1
168.99640	1.5
170.97469	14.8
176.99986	1.0
177.03326	1.3
179.03468	1.1
179.04878	5.3
180.99541	1.0
181.06142	6.6
187.05397	3.9
191.03424	3.9
192.99608	6.2
194.97482	6.1
195.01154	3.2
195.02919	2.7
196.99031	2.6
199.07172	17.5
206.97505	4.6
208.06073	2.3
208.99059	3.6
211.07187	2.4
212.98572	6.2
217.48003	1.1
219.02936	1.7
220.99066	17.7
222.96994	61.1
223.00285	6.1
223.07251	1.0
224.98616	7.7
233.05969	4.6
235.00551	2.0
236.98561	9.5
240.98055	100.0
241.98308	1.5
247.02614	1.2
248.98468	7.6
251.00050	2.0
254.99611	1.3
257.07693	5.4
259.00333	1.2
259.02722	1.4
260.03293	2.7
260.98364	1.4
261.03973	3.9
263.00153	1.0
266.99655	3.7
278.99527	1.3
287.00174	3.5
288.02612	1.8
289.03427	6.5
292.46869	1.1
293.01340	4.6
300.02478	1.2
301.01547	1.2
302.99542	3.0
304.00394	1.5
305.01340	1.1
314.99582	4.3
315.99323	1.0
316.02295	10.6
317.03040	14.9
317.06567	1.1
318.03665	3.3
319.04572	2.6
321.00681	25.9
329.01804	4.7
330.99014	2.3
331.99951	1.7
333.00659	10.4
347.02127	7.5
349.00171	89.4
350.00412	3.5
351.01736	19.7
357.00693	4.0
374.97168	1.9
375.01730	27.5
376.01834	1.0
392.04446	7.0
458.05527	2.5
477.06229	2.2
478.04468	60.8
479.04712	2.4
495.07114	98.1
496.07193	2.9
549.08209	61.0
550.08295	3.6
561.08228	9.3
602.38538	1.1
606.09900	2.6
624.11420	48.7
625.11414	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	784.5329
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05031	1.1
61.02931	0.7
67.05499	1.0
69.07083	0.7
71.08643	1.2
79.05478	0.7
81.07061	0.9
85.02899	0.5
86.09708	100.0
87.10054	0.7
93.07037	0.9
95.08610	0.6
96.77766	0.4
98.09699	1.3
103.05473	1.3
105.07031	1.6
109.10203	0.4
112.11251	7.0
113.03165	0.4
120.08109	44.9
133.03467	0.7
139.25662	0.4
146.09702	2.1
148.04710	0.4
154.15919	17.8
157.13368	12.0
158.09599	0.5
166.15881	0.4
185.12865	13.6
188.14337	8.5
188.15892	0.5
191.11784	0.5
199.18062	15.9
209.16447	0.5
219.11325	1.0
225.19633	7.3
227.17532	14.5
233.16490	16.4
235.18042	0.6
243.14879	0.6
253.19118	6.8
259.18039	2.2
261.15994	13.5
267.24304	8.0
277.22742	0.4
287.17508	2.8
295.23840	5.0
298.21265	7.4
298.24408	0.6
301.20007	1.0
301.22845	6.7
301.26068	0.5
302.20453	1.1
303.20044	0.5
304.39185	0.5
329.22278	4.6
332.19736	5.9
340.25974	2.4
356.23441	0.8
366.27496	2.7
374.24411	4.7
383.30209	1.9
400.25964	3.1
408.32315	1.1
411.29691	4.9
412.30118	0.5
417.28653	1.4
442.30716	2.3
445.28098	5.0
445.33850	0.6
446.28113	0.9
451.36172	0.6
453.34006	0.7
459.33298	1.5
479.35709	2.0
485.34506	0.6
487.32806	2.5
496.38574	1.1
513.34473	4.4
524.38080	3.6
526.81036	0.8
530.37274	2.7
555.39392	2.0
558.36536	10.0
572.41724	1.0
592.44476	1.5
598.43341	0.7
600.41089	1.5
609.46307	0.5
626.42853	7.1
627.43707	0.6
637.46228	1.9
643.45343	4.4
653.43506	1.1
668.47583	1.0
671.45013	13.8
672.44849	1.0
685.62024	0.4
739.51154	2.7
756.53821	5.2
766.52350	1.5
784.53394	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	784.4772
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	4.3
55.05285	0.9
55.05515	6.6
57.03435	1.2
57.07072	1.2
59.04996	1.8
65.03954	1.3
67.05517	13.6
68.39016	0.8
69.07085	6.0
69.85767	1.4
69.86177	2.5
71.04971	1.0
71.08653	1.1
79.05505	13.6
81.06591	1.5
81.07069	27.9
83.04986	3.3
83.08618	2.7
84.21577	0.8
86.09695	1.8
90.35898	0.7
91.05492	8.0
93.07055	16.2
95.04974	1.6
95.08623	11.0
97.06535	1.2
98.98491	1.1
105.07038	6.3
107.08600	7.8
109.06548	9.7
109.10194	4.9
111.04458	16.2
111.08054	0.9
117.07043	2.3
119.08607	6.1
121.10155	7.3
123.08083	2.1
123.11713	2.4
125.00022	1.4
125.06004	6.0
131.08574	3.8
133.10161	5.3
135.08044	4.1
135.11705	7.0
137.05997	100.0
137.13272	1.9
138.06331	2.0
143.08536	1.7
145.10127	3.2
147.08128	2.0
147.11690	8.5
149.09676	4.2
149.13271	2.3
151.07596	2.2
151.11150	1.1
157.10179	2.3
159.11731	1.0
161.09669	7.5
161.13304	3.7
163.11218	4.4
163.14867	1.1
165.09129	2.8
167.10703	1.0
171.11687	0.9
175.11215	6.2
175.14864	2.4
177.12755	1.6
179.10733	1.7
181.12245	1.0
184.07372	6.5
189.12755	1.7
193.12228	1.7
203.18040	7.1
205.19543	1.2
211.13304	0.8
213.16446	3.6
221.19017	1.8
223.14934	1.0
231.17461	7.4
241.15942	1.4
249.18507	7.0
277.18024	51.9
278.18454	1.6
285.64804	0.8
295.19101	10.5
302.21066	0.9
309.20602	1.0
315.95343	0.8
320.22174	6.4
331.26331	0.9
335.25833	2.9
351.21732	2.8
359.59821	0.9
431.18307	1.4
468.74667	0.9
476.28000	1.3
564.95837	1.0
611.43127	75.7
612.43719	5.2
643.45721	50.5
644.45819	3.3
744.85266	0.8
752.44696	2.4
755.41260	0.8
784.46527	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.5019
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	1.8
57.03442	2.9
57.03677	0.5
59.04996	1.9
60.08153	0.5
61.02926	7.0
67.05508	4.8
69.03437	3.8
69.07065	1.4
69.95297	0.5
71.04992	0.5
71.52953	0.7
71.53671	0.6
73.02924	4.5
78.69909	0.5
79.05499	4.3
81.03423	1.8
81.07053	5.2
83.04987	0.5
83.08611	0.7
85.02909	5.6
86.09725	1.7
91.03966	3.5
91.05486	3.3
93.07050	5.1
95.04972	0.5
95.08607	5.6
95.97376	0.5
97.02892	5.2
99.04469	1.1
101.02396	1.9
104.10751	1.1
105.07054	1.5
107.08611	2.2
109.10203	1.2
117.09225	0.5
119.08601	1.7
121.10184	1.9
125.00005	1.3
127.03912	1.2
131.08588	0.9
135.11707	1.2
159.11652	0.7
162.39326	0.5
184.07344	5.8
185.04277	0.7
243.08524	2.1
365.85892	0.6
505.27649	7.3
519.29254	7.6
783.50183	100.0
784.50616	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	779.4341
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08167	4.6
71.07368	2.1
71.51720	2.4
86.09718	27.7
87.10054	3.7
98.98474	2.7
104.10802	2.1
125.00013	20.0
170.59689	1.5
184.07362	81.7
185.07704	7.9
196.44936	1.4
225.32341	1.6
258.09189	1.9
266.08218	1.6
779.43445	100.0
780.43860	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.4555
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01896	0.4
55.05504	1.1
57.03447	2.0
59.05014	0.5
60.84576	0.4
61.02936	4.8
67.05512	5.4
69.03440	3.4
69.07089	1.1
70.76810	0.7
71.05008	0.9
73.02921	3.4
79.05502	3.6
79.07263	0.3
81.03427	3.0
81.07063	4.4
83.04981	0.5
83.08624	0.7
85.02911	5.4
86.09703	0.7
87.04478	0.6
91.03952	3.4
91.05498	3.1
93.07067	4.3
95.04984	0.8
95.08611	3.2
97.02907	4.9
99.04482	0.8
101.02383	1.8
103.03935	0.7
105.07044	1.9
107.08605	2.4
109.02906	1.0
109.10172	1.1
117.07067	0.3
119.07796	0.3
119.08547	1.8
121.10172	2.5
125.00021	0.5
127.03941	1.3
129.07042	0.5
131.08597	0.9
133.10161	1.4
135.11739	0.8
145.10245	0.4
147.11746	1.2
149.09669	1.0
184.07376	2.6
185.04262	0.6
193.12454	0.5
203.05293	0.4
243.08418	2.3
244.73643	0.4
267.15909	0.7
283.15173	4.8
324.00284	0.4
335.25833	0.5
339.18057	0.7
501.23148	6.6
519.29370	8.2
720.05408	0.4
779.45557	100.0
780.45874	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	780.554
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	0.2
56.05043	1.0
58.06642	0.4
59.05005	0.2
59.07399	0.2
60.08168	6.2
67.05505	0.6
69.07050	0.2
70.06598	0.1
71.07376	4.0
71.42919	0.2
72.91208	0.1
79.05508	0.3
80.97428	0.1
81.07064	0.5
86.09710	31.6
87.10056	0.2
91.05492	0.2
93.07034	0.3
95.08611	0.3
98.98470	3.7
104.10746	2.0
107.08576	0.1
109.10221	0.2
121.10170	0.1
125.00010	22.2
184.07347	100.0
185.07660	0.8
186.07700	0.1
261.22290	0.1
335.25681	0.2
520.33533	0.2
601.48511	0.1
780.55249	2.1
781.55835	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	778.5426
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05524	1.4
56.05022	0.9
57.03445	1.7
57.07079	0.3
58.06610	0.6
59.04979	0.3
60.08169	6.5
61.02898	0.3
66.07299	0.2
67.05511	7.1
67.49550	0.2
69.07078	2.2
70.06580	0.8
70.10392	0.3
70.10738	1.0
71.04975	0.4
71.07373	3.4
79.05077	0.4
79.05499	5.7
81.03405	0.3
81.07063	7.1
83.04988	0.3
83.08610	1.0
85.42020	0.3
86.09711	30.4
87.10028	0.3
91.05496	3.5
93.07050	6.1
95.04939	0.5
95.08617	6.2
97.06541	0.5
97.10178	0.4
98.20820	0.3
98.97873	0.3
98.98468	4.1
104.10752	2.3
105.04560	0.3
105.07030	2.5
107.08604	3.8
109.06519	0.3
109.10159	3.1
113.00007	0.3
116.07067	0.8
117.07030	0.9
119.08595	2.1
121.10136	2.3
123.11719	1.0
125.00016	20.5
129.07014	0.3
131.08578	1.5
133.10088	1.6
135.11687	1.7
137.13205	0.4
145.10147	1.6
147.11641	1.4
149.13263	1.2
159.11729	1.2
161.13284	0.9
163.14841	0.8
171.11653	0.4
173.13300	0.9
175.14865	0.4
184.07352	100.0
185.07690	0.6
185.13341	0.3
187.14810	0.4
229.19431	0.4
241.19551	0.4
243.21129	0.3
245.18968	0.3
247.20586	1.0
259.20584	0.5
261.22150	1.1
317.24756	0.3
319.22604	0.5
321.24252	6.2
323.25787	0.6
335.25821	5.6
337.27469	0.3
581.45325	1.8
599.46545	1.0
709.50476	0.3
734.30975	0.3
745.53040	0.3
778.53534	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	778.5381
Annotation	PC(18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z))
Peak:m/z	Relative Intensity
56.05034	0.7
58.06364	0.2
58.06632	0.4
58.23621	0.1
59.05010	0.1
59.07394	0.1
60.08167	4.7
67.05507	0.2
70.06599	0.5
70.91229	0.2
71.07375	3.5
79.05493	0.2
86.09711	27.2
87.10061	0.1
91.05508	0.1
93.07064	0.2
98.98468	3.5
104.10751	1.9
116.07121	0.7
121.10206	0.1
122.24718	0.1
125.00011	18.6
126.00436	0.1
146.28441	0.1
184.07350	100.0
185.07687	0.8
281.20340	0.1
343.24744	0.1
397.03674	0.1
459.53674	0.1
518.32080	0.3
537.07245	0.1
608.47290	0.1
778.41473	0.1
778.53870	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	778.5385
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	0.6
56.05046	0.8
57.03433	0.5
58.06366	0.2
58.06628	0.4
59.05012	0.5
59.07410	0.2
60.08168	5.5
65.03918	0.2
67.05506	3.1
69.07072	0.8
70.06591	0.3
71.07378	3.3
71.22948	0.3
79.05493	2.1
80.97448	0.2
81.07066	2.7
86.09711	31.2
87.10050	0.2
91.05492	1.2
91.24773	0.2
93.07050	2.2
95.08621	2.1
97.10194	0.2
98.98471	3.6
101.66699	0.2
104.10752	1.6
105.07042	1.0
107.08602	1.4
109.10159	0.9
116.07092	0.3
117.07019	0.4
119.08580	0.9
121.10162	0.7
123.11746	0.3
125.00014	20.8
130.00951	0.2
131.08557	0.5
133.10135	0.7
135.11688	0.6
145.10143	0.4
147.11708	0.4
149.13235	0.4
159.11647	0.4
161.13278	0.3
173.13197	0.4
184.07350	100.0
185.07803	0.9
191.87772	0.2
222.26898	0.2
229.19643	0.2
243.21112	0.2
247.20538	0.3
261.22168	0.3
317.92236	0.2
321.24252	1.9
335.25870	2.0
507.41321	0.2
581.45496	0.5
599.46680	0.4
729.41040	0.2
778.53961	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.5355
Annotation	Unknow
Peak:m/z	Relative Intensity
54.70294	3.5
55.05523	26.4
57.03418	12.5
65.50089	3.7
67.05190	6.3
67.05512	100.0
69.03429	11.4
69.07070	28.7
71.04993	6.6
71.52074	6.8
79.05495	52.6
81.03404	11.8
81.06599	5.3
81.07059	86.8
83.04981	5.8
83.08618	12.9
91.05479	52.9
93.07057	64.7
95.04984	10.5
95.08616	69.5
95.09189	8.3
97.06525	7.9
105.07030	45.1
107.04960	4.8
107.08603	40.7
109.06495	5.2
109.10159	33.6
111.08139	3.6
113.00007	8.2
117.07021	19.6
119.08590	30.7
121.10157	27.7
123.08067	7.0
123.11721	7.6
129.07065	8.1
131.08592	30.2
133.10155	25.3
135.08054	5.0
135.11739	20.3
135.79744	3.4
139.11134	3.7
139.89771	3.4
142.07805	4.7
143.08560	6.3
145.06517	5.2
145.10132	21.1
145.58609	4.1
147.11682	13.5
149.13252	12.0
155.08501	5.6
157.10107	6.4
159.11671	17.0
161.09631	4.7
161.13272	11.2
171.11630	8.3
173.13264	13.8
175.11104	4.6
175.14861	5.6
181.10135	4.1
184.07350	10.0
184.64438	3.9
185.13220	6.1
187.14850	6.5
199.14862	5.7
259.20499	8.0
261.22189	14.6
277.21674	5.0
317.24576	4.9
335.25815	79.2
336.26233	4.9
345.24039	6.0
351.22876	4.0
360.53723	4.2
369.23907	5.0
387.25079	5.1
393.22641	4.3
405.26389	8.3
444.70709	3.9
463.96262	4.2
474.03433	4.8
480.96609	4.1
595.47369	7.5
613.47876	16.1
804.22034	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	774.5004
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	2.6
55.05521	21.8
57.03444	19.9
57.07067	2.2
65.03943	3.5
67.05515	61.9
68.70620	1.4
69.03439	3.5
69.07078	12.6
69.70576	1.4
71.05001	3.5
71.05568	1.6
76.47105	1.6
78.89276	1.5
79.05502	44.3
81.03429	86.5
81.07068	54.8
83.04976	6.0
83.08628	21.9
85.02919	1.8
91.05495	37.2
93.07056	48.5
95.04987	27.9
95.08061	2.9
95.08623	38.9
97.02905	3.2
97.06527	4.8
97.10176	6.5
99.08142	1.7
105.07041	26.1
107.04965	7.5
107.08615	23.9
107.95693	1.5
109.06530	5.1
109.10165	18.9
111.04485	2.4
111.08092	5.5
117.07026	8.5
119.08599	23.7
121.06518	3.6
121.10148	19.8
123.04441	2.4
123.08082	3.7
123.11703	5.7
125.09637	4.3
129.07025	10.0
131.08583	16.7
133.06522	4.1
133.10159	12.7
135.08073	1.8
135.11707	14.9
137.09659	2.5
137.13268	1.7
142.07828	3.1
143.08575	1.7
145.10135	10.7
146.74507	1.4
147.08063	3.7
147.11720	13.3
149.09634	5.3
149.13268	6.0
157.10143	12.1
159.11702	6.4
161.13266	3.8
163.14861	2.4
169.10103	2.1
171.11755	2.5
173.13272	5.7
175.11206	6.9
175.14874	3.8
183.11806	2.2
185.13330	2.1
187.14925	3.0
189.11211	3.0
189.16489	1.5
193.12271	20.5
199.14777	1.5
227.12784	7.1
243.21149	4.7
249.14888	2.9
261.22171	16.4
267.15952	100.0
268.16324	2.6
285.22052	1.9
289.21487	1.5
301.14566	2.7
301.25333	5.6
309.17041	3.1
317.24774	3.1
335.25858	87.1
336.26291	2.8
356.18039	1.5
417.26724	1.8
417.31653	2.8
421.25958	4.1
435.27350	1.8
435.32715	4.4
439.15891	1.6
453.33942	7.8
463.75360	1.7
471.34796	3.9
520.83813	1.5
527.37439	59.0
528.37616	2.8
545.30530	2.8
545.38434	41.6
546.38629	2.3
559.40491	2.9
569.38525	2.3
623.39124	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.5198
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	4.4
55.05514	33.8
57.03433	12.6
61.02919	12.6
63.55504	4.5
65.03944	5.2
67.05179	7.7
67.05507	100.0
69.03420	13.9
69.07065	31.3
71.52778	4.3
73.02927	5.0
79.05496	78.5
79.05926	8.6
81.03442	8.8
81.07061	98.5
83.04981	6.4
83.08622	17.0
85.02896	16.4
91.03958	5.2
91.05485	69.5
92.65149	3.7
93.07056	81.4
95.04968	10.5
95.08614	70.8
97.02895	18.3
97.06506	8.2
98.20918	4.5
98.39643	4.1
105.07037	68.4
107.08617	40.5
109.06497	6.5
109.10177	32.1
109.10805	5.0
111.04381	4.3
111.08121	4.7
115.05470	4.4
117.07029	26.3
119.08593	57.5
121.10160	41.2
123.11713	8.5
129.07004	17.6
131.08580	39.8
133.10143	41.8
135.11676	24.2
141.06944	9.2
143.08556	16.5
145.10115	35.6
147.11697	39.9
149.13268	14.9
155.08563	9.6
157.10143	17.9
159.11723	34.0
161.13292	27.6
169.10130	10.7
171.11693	18.4
173.09564	4.6
173.13260	22.0
175.14890	13.1
183.11699	8.9
184.07329	9.9
185.13274	18.5
187.14883	8.3
195.11731	5.3
197.13248	10.7
199.14897	10.4
201.16634	4.4
211.14841	6.8
213.16307	6.5
215.18121	4.8
221.13048	4.9
223.14682	4.5
225.16425	6.6
241.19490	18.5
257.18887	9.7
259.20590	41.2
261.22165	10.9
301.21429	5.6
331.22952	4.6
333.24399	26.6
335.25842	60.8
367.22357	5.2
385.23581	4.7
537.44354	4.8
593.45648	6.8
611.46747	91.5
612.47064	6.5
713.03925	5.0
737.50153	5.5
755.50824	5.6
766.80377	4.5
773.53522	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	773.5175
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	4.1
57.03437	3.2
59.05005	9.8
61.02940	6.8
67.05508	6.5
69.03429	4.5
69.07072	5.0
71.18036	2.1
73.02925	7.6
79.05507	4.6
81.03432	3.6
81.07046	6.8
82.14252	1.4
83.08648	2.4
85.02911	7.5
91.03947	4.3
91.05483	1.9
93.07038	3.8
95.08620	5.8
96.67850	1.3
97.02902	6.9
97.10161	1.5
98.98499	1.5
99.04480	1.2
101.02393	2.3
107.08598	3.2
109.10183	2.3
117.09129	1.5
121.10184	3.0
127.03945	2.4
135.11708	3.2
167.28812	1.2
184.07336	2.3
215.20200	1.4
243.08546	1.7
244.42311	1.5
308.45728	1.5
345.85437	1.3
495.29517	5.4
519.29443	6.3
554.95721	1.4
773.51770	100.0
774.52496	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	773.5193
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	27.0
57.03448	15.6
57.07066	5.9
59.05010	10.4
61.02933	11.8
65.03922	2.7
67.05508	85.6
69.03425	7.1
69.07069	27.5
71.04976	4.4
71.89837	1.9
73.02911	7.8
74.48394	1.9
77.19063	2.0
79.05499	67.7
81.03405	6.4
81.07058	79.2
83.04987	3.3
83.08600	11.8
85.02911	13.6
85.06547	4.0
91.03936	5.3
91.05479	67.6
93.07048	68.3
95.04961	7.0
95.08616	59.4
95.09219	1.4
97.02858	10.4
97.06548	5.0
97.10139	4.5
99.08113	2.5
101.02418	2.5
103.05470	2.7
105.04536	2.8
105.07037	59.6
105.94348	2.0
107.04965	2.3
107.08595	38.8
109.06487	3.5
109.10171	24.9
111.08134	2.1
113.09651	2.7
117.07024	27.8
119.08585	54.8
121.10152	29.4
122.10532	2.0
123.08087	2.3
123.11727	7.5
127.03945	4.1
128.06189	4.3
129.07002	14.8
131.08569	34.1
133.10132	38.6
135.08055	3.3
135.11696	23.7
137.09624	2.7
141.06995	4.4
142.07776	3.6
143.08557	16.6
145.10127	31.8
147.11681	33.9
149.13245	14.4
151.07526	2.9
151.11188	2.5
155.08577	6.1
157.10136	16.7
159.11693	27.1
161.13252	25.7
163.11235	2.9
163.14867	5.2
169.10144	7.8
171.11671	21.4
173.13272	20.2
175.11205	2.5
175.14835	15.2
181.10133	3.4
183.11711	7.4
184.07379	4.8
185.13258	16.9
186.22830	2.3
187.14862	8.5
189.16470	3.2
195.11800	5.9
197.13298	6.3
199.14830	9.1
201.16301	3.2
209.13336	3.2
211.14740	2.6
213.16496	4.0
215.17923	4.1
223.14856	2.9
225.16434	2.3
227.17967	3.8
229.19479	3.7
231.21185	2.6
235.14890	2.7
239.17912	3.1
241.19489	24.1
243.21019	4.4
257.18991	5.7
259.20551	53.3
261.22195	9.6
271.20850	3.3
279.22974	2.0
285.22153	2.6
295.20670	2.5
315.23254	4.2
333.24246	33.4
335.25784	75.7
336.26266	2.5
337.27396	6.9
349.21375	2.4
351.25250	2.3
353.28082	2.6
367.22742	4.2
375.25388	2.2
385.23404	2.4
427.72653	2.6
441.26221	2.7
505.05203	2.3
519.41711	5.7
537.42499	4.9
593.45221	8.9
609.45020	3.9
611.46735	100.0
612.46954	7.1
623.46411	4.0
630.82281	2.4
701.48120	5.2
719.48468	4.4
737.49573	6.9
755.50085	5.9
773.51837	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	773.214
Annotation	Quercetin 3-glucosyl-(1->6)-glucosyl-(1->4)-rhamnoside
Peak:m/z	Relative Intensity
55.01873	0.4
57.03447	2.0
61.02660	0.3
61.02930	3.9
68.99783	0.9
69.03435	2.6
71.05001	8.8
71.50900	0.5
73.02927	1.7
81.03418	1.8
83.04939	0.8
85.02915	19.3
87.04468	0.5
91.03960	2.5
95.04974	0.3
97.02905	4.5
99.04417	0.6
105.03436	0.3
107.04967	0.5
109.02888	1.0
111.00797	0.9
111.04433	0.6
121.02872	2.7
123.04394	0.4
127.03942	2.6
129.05489	2.6
133.02777	0.4
135.04430	0.3
137.02345	3.1
145.04988	2.6
145.06114	0.4
147.04405	0.7
147.06494	0.7
151.03899	0.3
153.01842	4.3
163.03954	0.5
163.05997	0.5
165.01833	2.7
169.01273	0.3
173.05992	0.4
183.02893	1.1
185.05952	0.4
187.03857	0.3
197.06020	0.4
201.05461	0.9
213.05461	1.1
219.06526	0.5
229.05005	3.0
231.06580	0.4
239.49628	0.3
241.04930	0.8
247.06129	0.7
257.04498	2.4
258.05228	0.9
269.04437	0.3
274.04721	0.6
275.05408	0.3
285.03912	0.8
286.04608	0.3
287.05533	94.6
288.05936	2.5
303.05026	100.0
304.05325	3.1
311.05447	0.3
319.04471	0.7
332.28214	0.3
333.06033	0.4
345.06149	0.7
369.06042	0.3
449.10876	14.8
450.11224	0.9
465.10370	19.1
466.10742	0.7
547.11975	0.3
611.16266	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.2136
Annotation	Quercetin 3-rhamnosyl-(1->6)-glucosyl-(1->6)-galactoside
Peak:m/z	Relative Intensity
55.01876	0.2
55.05491	0.2
57.03440	1.0
61.02933	1.8
68.99802	0.5
69.03419	0.6
71.01347	0.2
71.05002	8.3
71.24679	0.2
71.25021	0.1
73.02918	0.7
75.04479	0.4
80.59593	0.1
81.03410	0.4
83.04993	0.8
85.02913	11.9
87.04450	0.2
91.03946	1.1
93.03414	0.2
95.04953	0.2
97.02906	1.4
99.04427	0.4
109.02882	0.6
111.00803	0.6
111.04414	0.3
121.02887	1.1
123.04417	0.3
127.03926	0.9
129.05489	2.5
137.02353	2.7
145.04979	0.4
147.04398	0.4
147.06537	0.7
149.02362	0.5
151.03889	0.2
153.01836	2.6
161.05986	0.2
163.03920	0.4
163.06062	0.2
165.01859	2.1
166.02740	0.2
169.01346	0.5
173.05971	0.4
177.05490	0.2
183.02913	0.7
187.03929	0.2
195.02887	0.3
201.05536	1.1
201.07106	0.2
205.05070	0.2
215.03148	0.2
229.04964	3.4
239.03470	0.2
247.06076	0.7
257.04449	2.3
270.23206	0.1
274.04684	0.6
275.05469	0.3
285.03998	0.8
287.05527	7.5
288.05850	0.3
303.05008	100.0
304.05350	2.8
315.05042	0.3
319.04526	0.2
333.05893	0.2
345.05927	1.0
369.05981	0.3
397.30045	0.2
413.08411	0.2
431.09930	0.2
447.08954	0.3
449.10678	1.2
465.10327	18.3
466.10791	0.6
498.85681	0.2
760.69666	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.4761
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	4.7
55.05271	0.5
55.05512	7.4
57.03431	0.6
57.07060	1.5
57.07319	0.5
60.32604	0.4
62.06089	0.8
65.03925	1.2
67.05505	19.2
69.03415	0.5
69.06734	0.5
69.07073	7.0
69.48490	3.0
71.04993	0.6
71.08617	0.8
74.38832	0.4
79.05494	9.3
81.03412	0.6
81.07056	37.7
83.04983	2.5
83.08623	3.3
85.06556	0.8
86.09693	0.8
91.05486	5.7
93.07047	8.9
95.04936	0.7
95.08607	13.9
97.06518	1.7
97.10157	1.1
98.21497	0.9
98.98465	0.8
105.07033	4.8
107.08601	5.7
109.06520	8.8
109.10166	6.0
111.04445	16.7
111.08081	1.3
117.07001	0.8
119.08582	5.6
121.06506	0.4
121.10146	5.4
123.08098	2.1
123.11697	2.6
125.05991	5.1
125.09652	0.4
131.08586	2.0
133.10144	6.2
135.08064	3.3
135.11700	5.0
137.05978	100.0
137.09578	1.1
137.13290	2.1
138.06335	0.9
139.07599	0.5
143.08559	0.9
145.10097	1.1
147.08061	1.6
147.11682	7.1
149.09639	4.7
149.13260	1.7
151.07541	3.2
151.11153	1.1
157.10132	2.2
159.11739	0.9
159.72653	0.4
161.09622	6.7
161.13274	3.1
163.07611	0.7
163.11189	3.3
163.14792	1.5
165.09114	2.8
165.12799	0.4
167.10687	1.0
171.11703	1.3
173.13336	0.6
175.11189	5.2
175.14841	1.4
177.12811	0.7
179.10707	2.2
180.91103	0.4
181.12193	0.7
184.07372	1.5
185.13165	0.5
189.12752	1.6
193.12271	1.5
203.17958	6.4
205.19516	0.7
213.16362	3.1
221.19016	2.0
223.14876	0.9
231.17448	8.4
241.15953	1.1
249.18507	6.8
263.23776	0.7
276.19589	0.5
277.17990	50.2
278.18402	1.6
295.19073	8.0
306.27991	2.2
320.22235	5.2
337.27371	14.3
338.23300	0.5
351.21616	10.2
351.25879	0.6
352.22134	0.5
402.94455	0.4
404.36951	0.4
431.18369	0.5
460.28467	0.9
478.29449	0.6
613.44635	73.1
614.44995	4.6
631.45667	11.8
632.46204	0.6
717.10431	0.5
736.45728	1.4
754.46313	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	770.4612
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80143	0.5
55.01869	3.1
55.05526	5.9
57.07063	1.2
65.03936	0.9
67.05185	1.0
67.05514	13.9
69.03436	0.9
69.07076	4.5
69.36345	4.3
71.05023	0.6
71.08604	0.6
79.05504	12.7
81.03416	0.9
81.07069	28.2
83.05001	2.8
83.08620	2.0
85.06562	0.7
91.05494	6.0
93.06481	0.9
93.07059	14.2
95.04961	2.0
95.08621	12.2
97.06535	1.8
98.20766	1.2
98.98489	0.7
99.08088	0.7
105.07045	6.3
107.08601	7.5
109.01676	0.5
109.06535	10.2
109.10168	4.2
111.04454	15.6
111.08079	1.1
117.07056	1.2
119.08595	5.7
121.06523	0.6
121.10147	7.3
123.08105	1.8
123.11726	2.3
125.06015	4.4
131.08559	3.6
133.10149	5.8
135.08118	2.8
135.11699	5.3
137.05998	100.0
137.13263	2.2
138.06277	0.7
143.08594	1.3
145.10136	1.8
147.08092	1.6
147.11693	6.9
149.09639	3.2
149.13293	2.2
151.07561	2.7
151.11195	0.7
157.10161	1.7
159.11746	1.6
161.09639	6.1
161.13316	2.2
163.07607	0.5
163.11223	3.9
163.14815	1.2
165.09142	1.7
165.12820	1.1
167.10696	0.7
171.11697	1.2
173.13303	1.1
175.11186	6.2
175.14885	1.5
177.12744	0.9
179.10686	2.5
184.07430	0.5
189.12852	1.0
193.12135	1.4
199.94763	0.6
203.17990	5.4
213.16405	2.9
221.19043	2.2
223.14932	0.8
231.17474	8.4
231.19614	0.8
241.15884	0.9
249.18536	7.7
276.19678	0.8
276.46289	0.5
277.18027	49.0
278.18408	2.0
295.19086	8.1
304.26462	1.4
317.18707	0.6
320.22266	5.5
335.25882	14.2
339.77020	0.5
351.21674	9.3
476.28192	0.9
553.73932	0.6
611.43152	71.6
612.43610	4.2
629.44189	11.3
752.44507	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	770.5782
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	12.0
57.03432	13.3
57.07089	29.6
59.04990	5.0
60.25583	3.0
67.05512	39.8
69.07060	10.2
71.08667	33.0
79.05500	24.8
81.07056	43.0
83.08609	9.7
85.10176	13.6
86.09696	12.1
91.05466	18.7
93.07047	29.3
93.13211	3.1
94.51590	3.2
95.08624	40.3
97.10184	3.4
105.07009	9.6
107.08602	17.1
109.10162	21.6
111.21828	3.2
119.08602	7.1
121.10139	10.1
123.11694	9.8
124.99995	5.4
131.08536	7.0
133.10060	7.2
135.11699	11.1
137.13268	5.3
145.10095	6.1
146.91486	3.8
147.11674	5.4
149.13251	8.3
159.11696	9.6
161.13234	4.4
163.14799	5.1
184.07353	29.8
216.86182	3.1
223.93869	3.0
243.21033	8.3
261.22183	31.4
313.27423	100.0
317.24677	6.6
335.22052	6.3
335.25854	80.8
445.09039	3.0
573.48895	27.4
591.49969	4.9
612.13074	3.7
714.72522	3.7
796.12897	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	768.5623
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57288	2.0
55.05517	25.0
57.03439	16.0
57.07075	9.1
59.05004	19.1
60.08146	2.7
60.24808	2.0
61.02935	2.1
64.33544	1.8
65.03935	2.0
67.05511	56.8
69.06724	3.4
69.07070	31.9
71.05005	2.3
71.08631	3.3
79.05499	32.4
81.07060	62.8
83.08627	20.9
85.02895	3.1
85.06533	3.0
85.10186	2.1
86.09724	8.3
87.04443	2.0
91.05501	15.2
93.07050	41.5
95.04983	1.9
95.08612	51.6
97.06544	4.0
97.10194	12.3
98.20713	3.4
99.08149	2.7
105.07040	9.3
107.08615	20.8
109.10188	20.8
111.08061	2.6
111.11732	4.1
117.07037	3.5
117.09139	4.0
119.08590	9.8
121.10168	23.3
123.08015	2.7
123.11711	6.7
125.00015	6.5
125.85635	2.0
131.08586	7.3
133.10132	9.5
135.11696	19.8
137.13269	5.6
145.10123	5.0
147.11671	6.4
149.13284	8.8
159.11664	4.1
161.13252	3.5
163.14879	5.1
166.12280	1.9
167.54211	1.8
173.13319	5.4
184.07352	23.3
195.00328	8.7
219.21098	2.9
237.22043	3.3
243.21112	8.5
261.22168	26.0
309.24164	2.0
311.25839	100.0
312.26248	3.2
317.24814	5.3
335.25848	78.5
411.30630	2.3
571.47247	37.6
589.48291	8.9
683.01038	2.3
693.55627	2.4
750.70166	2.5
797.09143	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.4403
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.6
55.05516	1.2
57.03436	1.9
61.02935	6.7
64.43703	0.6
67.05506	5.2
69.03439	3.1
69.07079	1.6
71.01392	0.9
71.51349	1.4
73.02912	4.1
73.11386	0.6
74.46687	0.6
79.05495	3.8
81.03428	2.3
81.07063	5.4
83.04963	0.9
83.52412	0.7
91.03086	0.7
91.03983	4.0
91.05500	3.2
93.07054	3.8
93.19425	0.6
95.04979	0.9
95.08664	3.2
97.02907	5.1
99.04481	1.3
101.02407	2.6
105.07070	1.8
107.08627	2.1
109.10189	0.8
110.83852	0.7
115.03938	0.7
119.08660	1.3
121.10201	2.6
127.03951	2.1
131.08556	1.3
133.10161	1.5
149.13394	0.7
157.10159	0.8
166.53334	0.7
167.10677	0.8
175.11238	0.6
185.04211	0.9
203.05354	0.8
225.11118	0.8
243.08469	1.9
248.38831	0.7
269.13739	1.6
280.80264	0.6
324.92847	0.7
335.26047	0.8
379.35306	0.7
443.19058	3.6
469.20770	1.4
487.21713	2.8
519.29431	8.2
605.73474	0.9
675.60297	0.7
747.42999	2.8
765.44019	100.0
766.44464	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	763.46
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.9
55.01872	0.4
55.05509	1.1
57.03441	1.9
60.64705	0.3
61.02932	5.7
67.05509	5.2
69.03430	3.4
69.07068	1.3
69.19683	0.4
69.20077	2.9
71.01347	0.5
71.04998	2.4
73.02919	3.9
79.05494	4.0
79.05904	0.3
81.03425	1.9
81.07057	6.6
83.05005	0.6
83.08633	0.4
85.02911	6.3
85.06524	0.4
87.04509	0.4
91.03960	4.1
91.05497	3.5
93.07059	3.4
95.08617	3.5
96.15986	0.4
97.02901	4.9
97.06557	0.8
99.04459	1.2
101.02404	1.9
105.07037	1.7
107.08571	2.4
109.02879	1.1
109.10166	1.6
115.03992	0.4
117.07043	0.5
119.08605	0.9
120.96713	0.4
121.10165	1.4
123.11720	1.1
127.03949	1.1
131.08592	1.1
133.10109	1.9
135.11716	1.2
145.04944	0.4
147.11755	0.5
149.13245	0.7
151.11273	1.2
159.11722	0.6
185.04257	0.7
203.05325	0.4
208.38145	0.3
209.98079	0.3
243.08386	2.6
267.15659	1.9
269.17453	0.4
273.19470	0.4
335.26007	0.3
398.71378	0.4
403.51563	0.4
413.82632	0.4
422.69571	0.3
453.20990	0.5
485.23572	5.9
519.29266	7.5
594.69299	0.3
656.79248	0.3
697.93640	0.3
763.46039	100.0
764.46490	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	764.532
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	3.8
55.05517	27.5
57.03451	15.6
57.07077	6.6
58.06599	3.6
61.02932	5.0
63.95750	2.5
64.68472	3.5
65.03933	7.7
67.05192	5.5
67.05522	94.5
69.07088	22.2
71.03104	2.8
71.05002	3.6
71.08640	3.2
71.52402	4.4
77.17709	2.7
79.05082	4.6
79.05510	74.0
81.07076	100.0
83.05000	6.8
83.08636	15.9
85.02894	4.0
85.06573	3.6
86.09727	16.2
91.05505	43.8
93.07065	81.2
95.04969	7.9
95.08630	81.1
97.06535	5.3
99.08073	5.3
105.07055	38.5
107.08618	41.1
109.10183	27.0
111.08052	4.1
117.07030	13.8
119.08608	21.8
121.10164	41.4
123.11734	11.7
125.00044	14.8
129.07072	3.7
129.96292	3.0
131.08594	24.4
133.10158	26.4
135.08105	5.9
135.11711	30.0
137.13306	3.5
143.08572	4.2
144.53339	3.0
145.10167	17.3
147.11687	17.7
149.13300	14.5
151.07576	4.8
157.10121	8.4
159.11728	16.0
161.13292	10.2
163.14848	7.1
171.11647	5.6
173.13274	10.5
175.14832	8.9
184.07394	53.7
187.14844	7.1
201.16281	3.5
203.18103	3.6
213.16476	6.4
215.18092	17.4
233.19077	14.3
243.21184	5.5
261.22147	14.1
267.00928	3.4
295.38028	3.2
307.22717	94.1
309.24231	6.4
317.24750	3.8
323.17007	3.2
333.24350	3.5
335.25876	77.1
337.27444	5.8
466.35391	3.7
567.44208	23.5
585.44916	12.6
589.44757	4.0
616.52496	3.1
773.71094	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	763.4031
Annotation	Unknow
Peak:m/z	Relative Intensity
55.31967	1.1
56.96571	1.6
57.03437	1.2
58.80088	1.0
62.30652	1.0
67.05511	1.6
71.52341	1.2
71.57460	1.3
76.89484	1.1
81.07065	3.6
91.05497	1.5
93.07054	2.0
95.08559	1.5
95.14627	1.2
96.36522	1.3
115.36826	1.0
115.63722	1.2
184.07370	1.5
196.41272	1.1
241.11256	2.0
242.26324	1.2
304.91815	1.3
388.91882	1.0
433.17340	1.3
485.17093	5.2
532.33850	1.3
740.25116	1.2
763.40204	100.0
764.40686	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	763.425
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	1.7
57.03437	2.1
60.08171	1.3
61.02936	7.7
67.05499	6.6
69.03432	3.8
69.07071	1.6
73.02911	4.0
79.05498	5.8
81.03419	3.0
81.07050	5.2
83.59099	1.1
85.02904	7.0
86.09707	4.3
91.03979	3.2
91.05497	2.8
93.07037	5.5
95.08612	4.0
97.02901	5.9
97.06547	1.0
99.04475	1.6
101.02375	2.1
105.07057	1.5
107.08601	3.4
109.02900	1.6
109.10188	2.0
115.03970	1.3
117.07121	1.2
119.08585	1.5
121.10205	1.5
125.00050	2.6
127.03956	1.3
131.08600	1.1
133.22971	1.0
135.11714	2.8
163.11189	1.7
179.41110	1.1
184.07362	13.8
185.07726	1.2
213.40906	0.9
226.64915	1.1
231.08316	1.0
243.08356	1.0
267.12140	1.0
279.72110	0.9
441.17627	2.1
467.19324	1.5
485.20135	5.8
519.29669	6.9
719.40363	1.5
745.41913	5.1
763.42273	100.0
764.42816	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	763.402
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02044	0.8
60.72225	0.9
61.02905	1.3
67.05505	1.7
79.05488	1.3
81.07056	2.1
95.08614	1.7
97.02916	0.9
99.16283	0.9
105.07010	0.9
107.08611	0.9
109.10196	0.8
117.34146	0.8
184.07372	4.8
185.53383	0.9
267.15744	1.3
373.62329	1.0
485.18076	1.7
535.26703	1.1
662.26886	1.2
763.40436	100.0
764.40747	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	763.4019
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02930	0.9
64.44328	0.8
67.05499	1.3
69.07046	1.2
70.96159	1.8
79.05481	1.5
79.88645	0.8
81.03428	1.3
81.07061	2.4
86.09724	1.4
91.05477	1.1
93.07055	1.3
95.08613	1.9
98.02393	0.9
111.18845	1.0
119.08638	1.1
135.11760	1.2
184.07381	3.8
236.52399	0.9
262.52795	0.8
291.60281	0.9
490.03696	0.9
519.29785	1.0
745.41370	1.9
763.40631	100.0
764.40662	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	763.4029
Annotation	Unknow
Peak:m/z	Relative Intensity
68.70612	1.0
69.03441	1.5
71.52456	1.4
81.03396	1.7
81.07083	1.9
93.07076	1.4
95.08607	1.6
133.10179	1.3
182.91809	1.3
184.07410	1.1
296.52997	1.2
299.10208	1.1
418.04681	1.2
424.04169	1.2
453.72748	1.3
485.17139	3.5
717.41113	1.3
763.40198	100.0
764.40747	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	762.4919
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.8
55.01863	4.0
55.05518	6.4
55.67762	0.5
57.03432	0.5
57.07081	11.4
57.07923	0.5
59.05010	0.9
62.06076	0.5
65.03921	0.7
65.86871	0.5
67.05510	9.3
69.07069	6.3
69.48042	1.0
69.48447	2.7
71.08637	8.4
71.71952	0.5
73.14181	0.5
79.05493	4.8
81.07062	28.4
82.52206	0.5
83.04974	2.4
83.08638	4.5
85.10194	3.5
91.05468	3.5
93.07046	5.2
95.04933	1.1
95.08615	11.7
97.06538	0.8
97.10181	2.0
99.08112	0.7
100.81072	0.5
105.07047	3.3
107.08591	5.3
109.06525	9.8
109.10155	6.2
111.04449	16.2
111.08070	0.8
119.08595	5.2
121.10160	4.5
123.08058	2.1
123.11729	2.9
125.06013	5.6
128.06238	0.5
131.04993	0.5
131.08572	2.1
133.10114	5.2
135.08080	3.6
135.11678	4.6
137.05986	100.0
137.13213	2.8
138.06366	1.4
143.08533	1.2
145.10159	1.8
147.08037	1.4
147.11710	6.0
149.09634	4.5
149.13264	2.2
151.07553	5.0
151.11206	1.2
153.10577	0.5
157.10176	2.3
158.91457	0.6
159.11749	1.3
161.09616	6.3
161.13260	3.2
163.11205	4.4
163.14897	1.5
165.09117	2.5
167.10747	0.9
171.11739	1.5
173.13370	0.6
175.11183	5.6
175.14862	0.7
179.10718	1.9
179.14470	0.6
181.12268	0.7
184.07431	1.0
185.13232	0.8
189.12816	1.0
191.10637	1.2
193.12283	1.2
197.13254	0.7
203.17989	7.1
205.19615	0.8
208.12613	0.6
213.16431	3.1
221.19095	2.3
222.86108	0.6
223.14752	0.7
231.17470	9.3
241.15953	1.4
249.18529	6.0
277.18005	46.4
278.18475	0.9
282.28030	3.0
295.19083	8.2
309.20721	0.7
313.27405	2.9
313.87213	0.5
320.22226	6.8
351.21634	2.4
352.25012	0.8
352.59457	0.6
454.29202	1.0
457.23376	0.9
537.04993	0.6
589.44647	68.5
590.45209	3.7
594.88800	0.6
621.47278	50.1
622.47858	3.3
704.43750	0.5
712.45715	1.2
730.46417	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	760.4761
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.0
54.76984	0.8
55.01882	2.2
55.05516	11.6
57.03442	1.3
57.07078	2.1
59.05014	1.4
60.41393	0.9
60.97487	0.8
64.86827	0.8
65.03960	2.2
67.05508	36.2
69.07076	13.1
69.47039	3.6
69.47442	3.2
69.60994	0.9
71.04975	2.5
71.08642	1.2
71.12197	0.8
79.05496	14.4
81.07063	41.4
82.07386	1.0
83.04991	1.6
83.08627	13.3
85.06564	1.9
86.09709	1.7
89.06040	8.0
91.05482	8.3
93.07047	18.7
95.05010	2.0
95.08606	22.0
95.09171	1.3
97.06540	4.6
97.10189	1.9
98.06049	2.2
98.20795	1.7
98.98499	1.0
99.08080	1.1
100.74803	1.0
101.82970	0.8
105.07043	4.8
107.08615	14.7
109.10149	5.5
111.08104	3.7
117.07074	1.1
118.24938	0.8
119.08623	3.3
119.12206	0.8
121.10165	6.8
123.11734	3.2
131.08635	1.8
133.08603	5.3
133.10191	3.3
135.11703	2.1
137.13257	0.9
145.10201	0.9
147.11716	2.4
149.13284	8.7
163.14935	1.2
167.14381	2.8
175.14854	1.6
177.11250	1.8
182.58713	1.0
184.07379	4.4
186.25328	0.8
187.14934	1.4
207.49466	0.8
213.14879	1.7
223.16968	1.5
231.16023	3.7
237.18555	1.6
238.17935	1.1
263.23654	1.2
265.18170	1.9
283.19049	5.2
297.20648	1.2
306.27960	1.3
326.23499	2.0
337.27362	2.5
357.22812	1.4
563.41687	1.6
619.45715	100.0
620.45728	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	760.4844
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	8.3
55.01871	7.7
55.05515	25.9
57.03452	21.6
57.07065	3.4
57.10253	2.3
57.16236	2.2
59.05011	2.2
61.02932	3.6
65.03948	5.9
67.05511	86.9
68.05817	2.5
69.03432	4.2
69.07076	16.1
69.90411	12.2
71.04996	4.6
79.05499	54.3
81.03422	90.8
81.07063	79.6
83.04994	9.4
83.08617	24.5
85.02898	4.6
86.09711	10.8
91.05490	39.3
93.07051	60.2
95.04968	28.7
95.08614	55.1
95.09090	1.7
97.02898	4.3
97.06534	7.9
97.10181	9.0
97.42423	2.9
98.21426	3.5
105.07031	34.4
107.04944	9.6
107.08607	34.2
109.06546	6.7
109.10155	22.1
111.04496	3.0
111.08112	10.8
115.05475	2.8
117.07030	8.6
119.05053	2.7
119.08588	35.7
121.06535	4.0
121.10148	35.8
123.08057	3.1
123.11753	8.0
125.00034	9.5
125.09621	4.6
128.06308	2.3
129.07039	14.7
131.08592	19.6
133.06511	4.8
133.10141	18.6
135.07996	3.1
135.11717	14.4
139.11203	2.8
143.08580	3.4
145.10132	19.0
147.08055	3.8
147.11708	18.9
149.09650	5.5
149.13303	6.2
157.10138	12.7
159.11736	8.8
161.13303	5.4
163.11217	5.8
163.14780	5.3
165.12816	3.8
169.10167	2.9
173.13309	6.2
175.11214	11.0
175.14798	4.8
184.07356	28.4
187.14796	4.8
189.11192	3.1
193.12244	22.2
200.05714	2.5
213.16478	2.7
227.12712	6.1
235.13336	2.8
243.21126	4.1
261.22052	19.5
267.15945	99.8
279.23215	2.6
285.16907	7.6
293.19824	2.5
301.25174	6.1
309.17169	3.2
317.24823	4.8
335.25809	100.0
336.26132	4.6
417.31641	2.7
435.32501	6.6
447.39224	2.6
453.33551	9.3
471.34647	8.5
491.34561	2.5
527.30011	4.5
527.37396	56.3
545.38477	52.1
563.39215	6.4
569.38647	3.1
598.92786	2.6
760.43378	24.2
761.39856	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	759.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13770	0.3
55.01854	0.3
57.03443	2.1
59.02942	0.2
59.09409	0.2
61.02931	2.3
68.99812	0.3
69.03087	0.3
69.03431	2.5
69.49414	1.4
69.49814	0.4
71.01353	0.5
71.04993	0.2
73.02923	4.3
81.03418	0.3
84.91488	0.2
85.02914	4.2
91.03958	1.6
95.04997	0.3
97.02898	3.8
98.21494	0.4
109.02843	0.4
111.00781	0.9
115.03925	1.6
121.02859	0.7
127.03926	0.9
137.02351	3.2
139.03876	0.3
145.04953	0.6
147.04463	0.3
149.02385	0.6
153.01819	2.7
154.02234	0.2
154.20029	0.2
161.05988	0.2
163.03876	0.5
163.06053	0.8
165.01814	1.6
173.06015	0.5
183.02985	0.6
195.02965	0.3
201.05449	1.0
215.03206	0.2
229.04962	3.4
230.05098	0.3
247.06033	0.9
257.04413	2.1
274.04749	0.6
275.05408	0.2
285.03928	1.2
287.05563	1.7
288.05859	0.9
289.06058	0.6
303.05002	100.0
304.05307	2.8
315.05011	0.6
345.06171	0.7
411.07532	0.3
447.09192	0.3
451.11600	0.3
465.10339	15.0
466.10623	0.7
597.13629	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
56.43502	0.2
57.03437	2.2
61.02928	2.3
68.86253	0.3
68.99783	0.6
69.03439	2.5
70.67645	0.5
70.68042	0.5
71.01353	0.4
71.04978	0.9
73.02923	4.0
81.03418	0.7
85.02908	4.6
87.04426	0.3
91.03943	1.2
97.02902	3.5
109.02898	0.7
111.00797	0.6
115.03952	1.5
117.34710	0.2
121.02863	0.8
127.03922	1.2
133.05019	0.3
135.83502	0.3
137.02362	2.9
144.72783	0.3
145.04936	0.8
147.04382	0.3
149.02457	0.3
153.01833	3.4
161.06006	0.3
163.03891	0.6
165.01857	2.2
168.82103	0.3
183.02866	0.9
183.04338	0.3
187.04005	0.4
201.05467	1.1
219.06445	0.4
229.04980	3.6
247.06050	0.9
257.04416	3.0
274.04803	0.8
285.03894	1.3
287.05515	4.2
288.05847	3.5
288.74799	0.3
289.06049	2.2
303.05011	100.0
304.05313	2.8
315.04922	0.5
319.04565	0.8
345.05780	0.7
369.06036	0.6
399.07239	0.4
435.08688	0.3
449.10861	0.5
450.11185	0.5
451.11429	0.9
465.10336	16.3
466.10422	0.6
616.82800	0.3
761.87335	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	760.2814
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.2
55.01865	0.8
57.03424	0.6
61.02933	0.5
61.89591	0.2
67.05521	0.3
67.43903	0.2
68.99792	0.3
69.03431	2.0
70.74601	0.6
71.04999	0.2
73.02930	0.4
79.05482	0.9
81.03419	2.8
81.07050	0.3
84.08115	0.2
85.02910	4.9
87.00832	2.6
91.03928	0.3
91.05463	1.1
95.04982	0.3
95.08563	0.3
97.02899	2.0
99.04463	0.9
103.05491	0.5
105.01873	0.8
105.03385	2.6
107.04952	1.1
108.04477	0.4
109.02892	2.0
109.83466	0.3
115.05449	0.8
116.06216	0.4
117.01817	0.4
117.07046	0.4
121.06541	0.3
124.05241	0.2
127.03938	3.0
128.06224	0.9
129.07013	4.7
131.04933	1.6
131.08571	6.3
137.05978	1.3
141.06995	5.2
143.04922	0.3
143.08545	0.5
144.05716	0.6
145.04939	0.9
145.06490	0.7
148.05232	0.4
151.07538	0.4
153.05502	0.2
155.06079	0.3
157.06496	4.5
158.07297	2.2
159.02869	0.9
159.08070	5.7
160.05193	1.0
161.09619	0.7
163.07579	0.7
167.07045	2.8
169.06468	2.9
169.07680	0.4
170.05946	0.3
170.07202	1.2
170.74994	0.2
171.08072	0.5
173.05945	0.4
173.09569	0.3
174.06775	12.5
175.07576	2.2
179.07126	0.3
181.08580	0.3
186.06795	2.7
187.07501	0.6
188.08255	0.6
189.09114	21.7
190.09555	0.3
191.06993	0.4
191.10689	1.6
201.09111	8.9
203.10704	1.5
219.10167	100.0
220.10542	2.1
227.30887	0.2
231.04901	0.3
263.10764	0.3
265.98141	0.3
287.05234	0.3
323.12637	0.4
323.31143	0.3
355.15417	0.6
383.14944	0.3
463.17108	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.1638
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96571	6.7
57.66455	1.0
69.58169	5.6
71.95295	0.9
84.96040	4.6
94.98911	0.8
97.02887	0.9
98.97591	70.5
110.97576	34.0
112.99197	1.3
116.98634	12.3
124.99147	2.8
128.98610	19.4
134.99680	1.3
140.98610	9.2
143.00183	12.8
144.98097	1.1
146.99670	4.9
150.54237	0.8
152.98630	7.7
158.99664	29.8
161.01286	5.2
170.99667	47.3
173.01163	0.9
174.99174	0.8
177.00726	9.8
182.99684	31.1
189.00731	22.1
189.02365	1.2
194.99707	2.1
201.00729	55.0
208.66963	1.0
213.00761	5.2
219.01778	39.4
231.01785	4.7
237.02858	15.9
243.01785	25.9
243.04247	1.4
252.22371	1.0
254.99443	2.9
261.02847	100.0
262.03183	1.6
273.00409	2.7
273.02911	7.1
279.03897	34.1
291.03867	14.2
301.19263	0.9
303.15536	0.8
314.38318	1.0
321.04947	32.9
333.04913	4.4
351.06024	10.6
363.05771	1.4
381.07056	19.4
399.08182	12.8
417.04755	87.9
418.04990	2.2
435.05936	7.6
441.09204	92.6
442.09567	3.3
453.09045	3.1
458.07172	1.0
471.10168	3.3
501.11316	4.5
525.11383	0.9
543.12146	2.2
604.19940	0.8
669.11475	1.8
723.18408	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	758.4691
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.7
55.01879	6.4
55.05518	26.6
57.03440	19.3
60.08152	3.0
61.02932	6.7
67.05512	86.3
69.03425	3.4
69.07077	25.2
70.57156	7.9
71.04975	4.9
73.02895	3.1
79.05073	4.7
79.05502	71.1
81.03429	12.1
81.06586	5.7
81.07063	88.2
83.01391	2.3
83.04994	27.8
83.08624	15.8
85.02909	12.0
86.09697	12.5
87.04449	3.4
91.05489	39.6
93.06484	4.4
93.07056	70.5
95.04986	16.1
95.08616	50.5
97.02885	9.6
97.06533	12.3
97.10168	6.4
99.04455	5.2
105.07043	26.9
107.05012	12.5
107.08604	39.7
109.06535	6.4
109.10149	20.2
111.04441	19.7
111.08100	8.2
117.07052	19.9
119.08588	25.9
121.06529	5.5
121.10145	30.7
123.08094	3.3
123.11702	7.9
125.00037	6.5
125.09621	5.3
129.06952	4.6
131.08578	18.5
133.10155	19.1
135.08134	3.2
135.11716	32.2
137.09624	7.1
143.08562	4.7
145.10133	27.1
147.08078	4.8
147.11674	10.5
149.09604	8.1
149.13266	8.1
151.11208	5.7
153.12755	9.6
154.34895	2.7
155.08482	2.4
159.11713	9.4
159.14238	2.4
161.13200	4.1
163.11205	30.6
163.14890	3.9
173.09653	7.7
173.13280	7.1
181.12292	11.7
184.07352	30.6
187.14857	5.9
191.10736	14.1
209.11736	33.7
211.14841	3.0
227.12784	22.5
243.21048	4.4
253.14352	3.3
261.22104	15.9
282.38818	3.0
283.15427	66.7
287.05942	3.1
301.16467	42.0
315.23218	3.7
317.24780	4.0
335.25818	100.0
336.26160	5.0
433.31006	3.8
451.32074	9.4
469.33221	7.3
525.35376	9.5
543.36804	60.1
561.37787	42.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.5048
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.2
55.01858	1.7
55.05276	1.0
55.05514	16.6
57.03440	7.0
57.07071	1.9
59.04998	2.4
60.08156	1.6
61.02923	2.6
65.03932	2.7
67.05508	75.2
69.03430	2.4
69.07073	11.9
71.04601	1.3
71.04998	18.7
71.24822	2.1
73.02938	1.0
73.67623	0.9
79.05496	40.9
80.16132	0.8
81.03437	1.2
81.07058	100.0
83.04973	3.4
83.08633	8.0
85.02908	2.6
85.06546	8.2
86.09702	4.1
87.04506	1.1
91.03966	1.4
91.05489	30.6
93.07049	41.8
95.04957	2.8
95.08616	29.4
97.02861	1.9
97.06525	4.7
97.10186	2.2
99.08083	1.1
99.13267	0.9
105.04548	1.0
105.07045	17.3
107.08601	22.3
109.06528	3.0
109.10159	14.3
111.08093	1.5
117.06997	6.3
119.08591	7.4
121.10143	18.1
123.08047	1.7
123.11703	13.1
125.00007	3.3
131.08560	9.5
133.10141	16.7
135.11693	9.5
137.13210	1.4
145.10178	4.5
147.11684	3.0
149.09720	0.8
149.13243	5.8
151.11185	5.9
153.12730	1.0
157.20546	0.9
159.11647	6.2
161.13252	3.9
164.35799	0.9
169.12199	1.4
173.13300	1.3
175.14844	1.0
177.12801	2.0
183.13812	2.7
184.07358	13.0
187.13318	3.8
187.14865	1.6
195.13773	1.8
201.14763	1.5
227.16467	1.8
243.15852	1.0
257.17453	1.2
261.22070	2.5
269.17502	5.7
282.72916	1.0
287.04446	0.9
301.20151	17.3
315.23038	1.1
335.25821	30.4
336.26431	1.2
485.36490	2.0
503.37332	89.1
504.37823	5.0
517.39307	4.7
529.38916	11.4
561.41522	78.7
562.41937	5.0
602.08044	1.0
745.21796	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.5246
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	6.0
55.01861	3.6
55.05515	17.2
57.03439	5.0
57.07074	3.3
57.92233	1.8
60.08159	6.1
61.77232	1.6
63.72255	1.9
64.76882	1.6
65.03929	2.6
67.05508	53.2
69.03439	14.9
69.07069	14.4
71.04985	5.8
71.07366	3.4
74.09721	1.8
79.05076	3.0
79.05502	42.8
81.03432	10.1
81.06595	3.1
81.07061	54.9
83.04976	5.2
83.08619	5.6
85.02905	4.6
85.06531	4.1
86.09716	37.6
91.05486	38.2
93.06487	3.3
93.07047	43.9
95.04955	7.2
95.08615	39.8
96.08920	2.1
97.02898	5.7
97.06539	2.5
98.98460	4.6
104.10750	1.8
105.04465	2.6
105.07031	29.2
105.69089	2.1
107.04975	3.5
107.08595	19.9
109.02882	4.0
109.06528	5.1
109.10160	15.7
111.04417	2.5
111.08071	2.8
117.07036	12.2
119.08598	16.0
121.06488	5.4
121.10151	16.3
123.08067	5.3
123.11691	3.9
125.00002	18.2
125.09641	3.8
126.97665	1.8
127.03946	2.3
129.07007	8.0
131.08554	19.5
133.06480	2.3
133.10153	12.6
135.08067	3.9
135.11679	15.6
137.05890	1.9
137.09602	2.5
141.06973	3.2
143.08582	7.1
145.06491	2.2
145.10124	14.3
147.08076	2.9
147.11674	9.3
149.09622	3.0
149.13229	3.5
151.11290	2.3
155.08563	3.4
157.10092	7.0
159.11659	9.6
161.09634	2.1
161.13248	5.3
163.14848	2.7
165.09062	2.4
169.10106	2.9
171.11707	5.6
173.13283	8.5
175.11218	4.2
175.14890	2.6
177.12723	2.3
183.11649	4.1
184.07353	100.0
185.07693	6.9
185.13214	5.2
187.14812	3.0
189.12743	2.5
195.57237	2.0
196.24026	1.9
197.13306	3.5
205.12338	2.1
205.15849	2.3
213.16461	2.9
214.90352	1.9
243.21275	2.4
249.16530	2.2
261.22116	7.7
273.22162	1.8
289.21786	2.3
301.21777	4.9
303.23236	2.4
306.27826	2.5
315.23218	2.8
327.23251	2.3
335.25775	22.8
345.24466	2.0
351.23190	4.2
369.24396	9.1
387.25073	4.8
405.26486	3.2
443.28030	4.8
461.28705	3.4
479.29819	5.4
595.46826	2.0
633.42462	1.9
637.07068	2.0
706.94965	2.0
721.50067	4.9
739.51160	2.5
757.51764	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	757.2186
Annotation	Kaempferol 3-glucosyl-(1->4)-rhamnosyl-(1->2)-glucoside
Peak:m/z	Relative Intensity
53.03936	0.4
55.01865	0.3
57.03432	0.9
61.02930	4.5
68.99793	0.4
69.03152	0.2
69.03438	2.3
71.01332	0.3
71.04997	3.8
73.02916	1.6
81.03394	0.7
83.04991	0.3
85.02912	14.0
87.04463	0.3
91.03424	0.2
91.03967	3.2
91.04515	0.3
97.02899	3.6
99.04439	0.8
103.04018	0.2
105.03417	0.2
109.02865	0.7
111.00784	0.6
111.04456	0.4
115.03907	0.4
121.02865	2.1
127.03931	2.0
129.05507	1.3
133.02866	0.4
135.04462	0.3
137.02368	1.2
145.04968	1.7
147.04422	0.5
147.06519	0.5
153.01826	2.5
153.56717	0.2
163.03876	0.2
163.06055	0.9
165.01837	2.0
183.02888	0.8
185.06018	0.4
197.05754	0.2
213.05441	1.0
229.05009	1.5
229.31226	0.3
231.06364	0.5
241.05003	0.6
247.06055	0.5
257.04361	1.1
258.05234	0.8
259.06067	0.2
269.04224	0.3
274.04648	0.2
285.03989	0.3
287.05518	100.0
288.05832	2.0
302.04263	0.3
303.05011	39.1
304.05313	0.8
317.06601	2.1
329.06747	0.3
433.11337	9.0
434.11594	0.4
449.10822	6.0
463.12683	0.2
463.85367	0.2
465.10291	0.5
655.39386	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.2186
Annotation	Kaempferol 3-glucosyl-(1->4)-rhamnosyl-(1->2)-glucoside
Peak:m/z	Relative Intensity
53.03928	0.2
57.03437	1.3
61.02933	1.5
68.99808	0.3
69.03426	0.5
69.55318	1.2
71.01338	0.2
71.05000	7.5
73.02923	0.5
74.75948	0.2
75.04485	0.4
81.03416	0.2
83.04971	0.4
85.02915	10.4
91.03983	0.9
97.02911	1.2
98.21551	0.2
99.04463	0.2
101.97716	0.2
105.03400	0.3
111.00799	0.4
111.04427	0.4
121.02867	2.0
127.03928	0.6
129.05507	2.1
133.02861	0.3
137.02347	0.6
144.34624	0.2
145.04959	0.3
147.04501	0.3
147.06532	0.7
153.01834	2.0
153.76178	0.2
157.06477	0.2
165.01842	1.3
168.39926	0.2
168.86928	0.2
171.04459	0.3
176.75903	0.2
176.84344	0.2
183.02924	0.5
185.05984	0.2
213.05469	0.7
231.06575	0.5
235.56664	0.2
241.04942	0.6
242.05617	0.2
258.05243	0.5
259.06018	0.3
287.05515	100.0
288.05792	2.5
299.05243	0.2
329.06546	0.5
353.06601	0.2
378.29590	0.2
433.11240	0.3
449.10834	16.3
450.11090	0.7
471.96332	0.2
728.27637	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.2187
Annotation	Kaempferol 3-glucosyl-(1->4)-rhamnosyl-(1->2)-glucoside
Peak:m/z	Relative Intensity
55.01862	0.3
57.03445	1.8
61.02910	0.6
63.61538	0.3
69.03448	1.3
69.40650	0.3
69.90442	1.5
71.04996	7.5
73.02912	0.6
75.04480	0.4
81.03414	0.5
83.04989	0.9
85.02912	12.5
87.04487	0.4
91.03962	0.5
97.02887	1.1
111.00826	0.4
121.02908	2.1
123.21173	0.2
127.03935	0.9
129.05495	2.8
133.02885	0.3
137.02325	0.6
145.04956	0.6
145.06551	0.3
147.04405	0.5
147.06442	0.3
153.01814	1.9
165.01814	1.5
169.01343	0.5
170.66559	0.3
183.02931	0.4
185.05962	0.4
213.05450	0.8
231.06544	0.7
240.54605	0.3
241.04956	0.7
258.05280	0.9
259.05954	0.5
275.25519	0.3
287.05518	100.0
288.05811	2.5
303.05023	8.9
304.05334	0.4
329.06390	0.6
420.30038	0.4
449.10840	18.2
450.11188	0.6
524.81598	0.3
542.74597	0.3
704.54272	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.5541
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	0.2
56.05029	0.6
57.07079	0.3
58.06637	0.5
59.05009	0.2
59.07388	0.2
60.08167	6.0
67.05510	0.4
69.07061	0.1
71.07376	3.6
71.29933	0.2
78.04723	0.1
79.05505	0.3
81.07067	0.3
83.08604	0.1
85.10181	0.1
86.09708	28.9
87.10058	0.2
91.05497	0.1
93.07043	0.2
95.08612	0.3
98.98473	3.2
104.10744	2.0
105.07047	0.1
107.08620	0.1
109.10175	0.1
111.83766	0.1
112.89634	0.1
119.08632	0.1
121.10163	0.1
122.94340	0.1
125.00011	21.0
139.82713	0.1
143.01054	0.2
166.02634	0.1
184.07347	100.0
185.07738	0.5
200.03680	0.1
245.44740	0.1
299.25735	0.3
335.25711	0.2
488.16980	0.1
496.33664	0.2
606.55701	0.1
756.55579	1.6
757.54919	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.2192
Annotation	Kaempferol 3-glucosyl-(1->4)-rhamnosyl-(1->2)-glucoside
Peak:m/z	Relative Intensity
53.03917	0.3
55.01852	0.6
57.01689	0.3
57.03439	2.2
57.54583	0.2
61.02932	3.6
68.99805	0.7
69.03432	1.6
69.19892	2.9
69.20232	0.5
71.05005	10.4
72.96417	0.3
73.02945	1.5
81.03388	1.0
83.04986	0.6
85.02917	16.7
87.04457	0.5
91.03976	2.5
97.02905	3.4
99.04393	0.4
109.02889	0.6
111.00783	0.7
111.04442	0.4
114.93298	0.3
115.07889	0.4
121.02866	2.0
127.03961	1.5
129.05495	2.8
137.02342	2.5
140.64114	0.3
145.04984	1.7
145.06013	0.3
147.06514	1.1
149.02287	0.4
151.03807	0.4
153.01845	3.7
163.03935	0.6
163.06104	0.5
165.01872	2.4
183.02913	1.4
195.02914	0.3
199.92723	0.4
201.05499	1.2
207.00020	0.3
213.05554	0.9
220.82243	0.3
229.05063	2.5
231.06413	0.5
241.05002	0.6
247.06204	0.7
257.04477	2.4
258.05249	0.7
261.89960	0.3
274.04794	0.5
285.03912	1.3
287.05539	98.4
288.05978	2.0
303.05032	100.0
304.05215	1.8
317.06680	0.9
323.40631	0.3
329.06573	0.5
337.19382	0.4
381.78275	0.3
433.11157	2.4
449.10864	38.5
450.11255	1.1
465.10086	0.4
595.16528	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	757.2192
Annotation	Quercetin-3-O-alpha-L-rhamnopyranosyl(1-2)-beta-D-glucopyranoside-7-O-alpha-L-rhamnopyranoside
Peak:m/z	Relative Intensity
53.03918	0.4
55.01851	0.3
57.03450	0.8
61.02935	1.4
68.99778	0.3
69.03437	2.3
70.71964	0.2
70.72295	0.3
71.01344	0.1
71.05009	2.1
73.02895	0.6
74.28295	0.1
81.03433	1.0
83.04963	0.3
85.02917	9.1
86.03225	0.1
87.04465	0.2
91.03953	0.6
95.54031	0.1
97.02908	2.7
99.04422	0.5
107.04947	0.2
109.02873	0.8
111.00828	0.6
121.02872	1.7
127.03942	1.6
129.05461	0.5
133.02873	0.3
133.52338	0.1
137.02298	0.5
145.04973	1.6
145.06122	0.2
145.06548	0.2
147.04396	0.5
147.06471	0.1
153.01842	2.4
154.89082	0.1
157.06447	0.3
161.05933	0.2
163.06116	0.1
165.01859	1.5
165.59575	0.1
183.02885	0.4
185.05963	0.4
213.05560	1.0
216.37502	0.1
229.04944	0.2
231.06665	0.6
241.04947	0.8
257.04495	0.1
258.05283	0.7
259.06076	0.5
269.04251	0.2
285.03699	0.2
287.05530	100.0
288.05875	2.1
303.05032	7.7
317.06592	0.4
329.06689	0.5
433.11334	2.0
449.10867	24.0
450.11267	0.8
570.71643	0.1
595.16730	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	756.4384
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72586	1.2
53.03947	4.2
54.08975	1.2
55.01879	4.2
55.05307	1.3
55.05521	14.2
57.03443	7.9
66.14870	1.1
67.05518	18.4
69.03427	5.5
69.07062	5.1
70.06603	1.5
71.04984	4.0
71.51585	2.0
72.08145	1.2
79.05501	21.3
81.03430	49.8
81.07067	19.7
83.04983	3.6
83.08640	14.4
84.08155	1.1
85.02908	4.5
85.06539	1.2
91.05495	17.0
93.07053	12.7
95.04980	19.5
95.08608	10.3
97.02871	2.2
97.06542	3.0
97.10194	16.6
99.04441	1.4
103.05497	1.5
105.07048	14.8
107.04981	13.8
107.08596	13.1
109.06529	7.4
109.10174	6.6
111.08100	6.5
115.05468	2.3
117.07031	5.6
119.08593	11.0
121.06506	10.5
121.10178	6.6
123.08086	5.5
123.11688	3.8
125.06033	1.7
125.09646	14.9
127.03931	2.2
129.07025	9.2
131.04935	4.4
131.08583	8.8
133.06505	4.8
133.10097	6.6
135.08067	5.0
135.11743	2.6
137.05994	2.0
141.07036	1.4
143.08574	3.0
145.06529	5.3
145.10147	5.4
147.04433	1.4
147.08081	5.3
147.11681	5.2
149.09674	5.8
151.07599	1.5
153.09120	2.5
155.08551	2.7
157.06558	1.9
157.10165	6.9
159.08105	2.2
161.09636	3.3
163.11227	3.7
165.09183	2.6
165.12814	2.0
167.07071	2.2
167.08470	1.2
169.09991	1.4
171.08098	2.1
171.10243	2.3
171.11665	2.2
173.09641	1.9
175.11194	6.4
181.10094	1.2
189.11256	7.0
193.12279	13.5
195.11702	2.3
197.13173	1.9
199.11226	1.5
201.12849	1.4
205.10216	2.1
205.12189	2.0
215.14314	2.8
219.13791	2.6
223.11102	1.2
225.12921	2.2
227.12881	3.2
231.13821	1.9
233.15453	4.6
235.13486	1.9
267.15948	38.2
273.14633	6.1
273.17502	1.6
287.05627	2.5
321.22214	1.4
339.23093	1.5
349.21689	4.8
357.24280	2.6
367.22757	14.5
385.23730	21.8
403.24631	7.9
441.26447	9.0
459.27463	100.0
460.27582	3.6
477.28564	84.9
478.28607	4.1
491.30121	11.8
501.28430	1.4
509.31403	6.2
567.29590	2.3
610.98669	1.2
719.70374	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	754.2555
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.1
55.01867	1.2
55.05501	1.1
57.03426	1.0
59.04991	0.5
61.02909	0.8
64.67172	0.4
67.05493	1.1
68.31789	0.3
68.99793	0.5
69.03429	4.6
69.07059	0.5
69.20470	0.4
70.93939	0.8
71.01338	0.5
71.04977	0.8
73.02903	0.7
78.03445	1.0
79.05486	1.1
80.04629	0.4
80.05020	4.4
81.03422	4.6
81.07048	1.3
83.01340	0.4
83.04989	3.1
83.08569	0.3
85.02910	5.9
85.06563	1.8
87.00836	2.6
88.85076	0.4
91.05479	2.3
93.07025	1.2
95.04989	0.9
95.08607	1.0
96.04485	3.0
97.02901	3.4
97.06531	0.6
99.04450	2.3
103.05482	1.0
104.83011	0.4
105.01858	1.7
105.07018	2.3
106.02914	0.8
107.04932	0.5
107.08585	1.3
109.02873	2.9
109.06515	0.7
109.10169	0.7
114.66727	0.3
117.07011	0.7
119.08584	2.1
121.06512	1.4
121.10121	0.8
123.04459	1.0
123.08059	1.1
124.03957	100.0
124.84222	0.4
125.04292	0.7
127.03912	4.9
128.06230	0.5
129.06985	2.0
131.04945	2.2
131.08577	2.8
132.05283	0.5
133.06448	0.7
133.10156	0.9
134.06004	0.3
135.04472	0.3
135.08046	1.9
137.09654	1.1
139.03886	0.8
141.06998	0.9
143.08562	0.9
144.05696	0.4
145.04988	1.3
145.06485	0.9
145.10107	1.2
147.08073	3.3
147.11720	0.6
149.05994	0.5
149.09644	1.3
151.07541	1.1
155.08582	0.5
156.09387	1.2
157.06502	1.4
157.10130	1.3
159.02890	1.3
159.06850	0.7
159.08069	9.5
159.11682	0.8
161.05980	1.1
161.09573	0.9
161.13336	0.9
163.07533	1.9
165.09097	0.6
167.07132	0.4
171.11644	1.7
173.09627	0.6
173.13234	0.5
175.07565	5.9
175.11214	1.1
177.09116	6.6
179.07014	0.8
181.10191	0.8
185.09677	0.5
187.07545	5.8
187.11086	0.7
189.12727	2.5
191.10652	0.6
192.55547	0.4
193.08614	12.4
193.10323	0.7
199.11203	2.9
201.12799	0.5
203.10738	1.3
205.08594	9.4
205.10335	0.7
205.12300	1.3
207.13902	0.4
212.08394	0.5
215.10754	1.3
217.12254	6.2
218.12701	0.4
219.13892	0.6
223.09654	1.4
227.10683	3.6
231.05074	1.0
233.11708	3.5
235.09703	4.2
235.13191	2.5
245.11708	4.7
247.09676	2.8
263.12793	5.5
264.13211	0.4
265.10699	0.9
277.14417	0.5
283.11893	0.6
287.12860	0.7
305.13974	1.1
311.14996	0.8
323.14853	3.3
365.15964	4.8
383.16931	1.0
506.20245	39.2
507.20377	2.0
597.25842	0.4
754.24738	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.445
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	1.4
57.03440	2.1
57.07096	0.4
61.02930	5.9
67.05508	5.7
67.57441	0.3
69.03429	3.5
69.07076	1.0
71.01373	0.5
71.05000	2.6
71.11927	0.4
71.12262	0.9
71.38898	0.3
73.02924	4.8
78.34428	0.4
79.05499	4.6
81.03423	1.6
81.07061	4.2
83.04998	0.5
83.08629	0.9
85.02915	4.5
87.03233	0.3
87.04478	0.6
89.84583	0.3
91.03960	3.6
91.05494	3.2
93.07050	4.6
95.08621	3.5
97.02899	4.4
97.06508	0.5
99.04469	1.0
101.02405	2.1
102.31496	0.4
102.89040	0.4
105.07052	1.5
107.08594	2.3
109.02889	1.4
109.10159	2.3
115.03912	0.5
117.07060	0.5
119.08584	1.8
119.29350	0.4
121.10161	1.5
123.11699	0.7
124.60455	0.3
127.03937	1.6
131.08600	0.6
133.10139	0.4
135.11732	1.6
137.09654	1.1
145.10173	0.5
147.11633	0.4
164.26486	0.4
173.11732	0.4
181.34436	0.4
185.04300	0.5
203.05336	0.4
209.07663	0.4
213.30670	0.4
243.08440	2.0
253.14175	1.6
259.07782	0.4
303.92807	0.4
335.25827	0.9
409.98389	0.4
471.21921	3.9
519.29303	7.9
520.29730	0.5
531.44647	0.4
749.44482	100.0
750.44812	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	749.4449
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	1.7
56.02481	0.9
57.03442	2.1
61.02920	5.3
67.05502	6.7
69.03426	3.3
69.07076	2.3
71.13383	1.0
73.02931	2.9
79.05508	3.7
81.03434	1.8
81.07080	6.6
83.04987	1.0
85.02908	5.6
87.04482	2.0
91.04005	2.8
91.05486	3.4
93.07029	4.6
93.51838	0.9
95.08619	2.3
97.02898	5.0
101.02385	1.4
103.03984	0.9
105.07043	2.4
107.08611	2.7
107.53578	1.1
109.02954	1.3
109.10148	2.0
115.81683	1.0
121.10178	1.6
123.11719	1.5
127.03963	1.8
133.10101	1.4
159.11761	1.5
184.07375	1.6
243.08731	1.7
253.14258	1.5
335.25848	2.1
427.19376	5.2
471.22156	2.4
519.29401	12.3
705.41949	6.9
749.44470	100.0
750.43878	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	748.4761
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.6
55.01619	0.6
55.01863	3.7
55.05272	0.4
55.05513	4.6
57.03437	0.7
57.07080	11.6
58.75764	0.3
59.04987	0.9
60.04515	0.6
62.06088	0.5
65.03915	0.6
67.05184	0.5
67.05514	7.9
67.36732	0.3
69.03421	0.6
69.06737	0.4
69.07076	6.2
69.85783	2.0
71.04973	0.4
71.08633	7.3
74.32497	0.3
79.05078	0.4
79.05501	5.4
81.07059	26.8
83.04988	2.4
83.08627	4.7
85.06526	0.4
85.10179	4.1
91.04572	0.4
91.05479	2.5
93.06500	0.5
93.07045	4.2
95.08611	12.0
97.06531	1.0
97.10159	1.4
98.20831	0.4
98.98485	0.5
99.11691	0.5
101.42455	0.4
105.07037	2.5
107.08599	3.3
109.06524	9.2
109.10175	5.4
109.10854	0.7
111.04448	15.7
111.08092	1.0
111.11732	0.5
117.06986	0.5
119.08575	5.0
119.74355	0.3
121.06542	0.4
121.10149	4.4
122.10516	0.4
123.08059	1.7
123.11697	2.8
125.06005	5.6
126.84525	0.3
129.07004	0.4
131.08548	2.0
133.10141	4.1
135.08052	2.8
135.11696	4.3
137.05984	100.0
137.09573	1.2
137.13261	2.7
138.06288	0.7
139.07536	0.5
142.07704	0.4
143.08556	1.6
145.10124	1.4
147.08063	1.6
147.11690	6.6
149.09639	4.3
149.13251	1.6
151.07545	3.1
151.11194	1.1
155.01093	0.6
157.10141	2.2
159.11694	0.5
161.09637	6.9
161.13295	2.5
163.11165	2.6
163.14821	0.9
165.09123	2.7
165.12746	0.7
167.10721	0.9
171.11700	1.3
173.09706	0.6
173.13339	0.6
175.11203	5.8
175.14835	1.1
177.12764	0.7
179.10678	2.3
179.14357	0.4
181.12268	0.8
184.07312	0.9
189.12766	1.4
193.12184	0.8
203.14275	0.8
203.17949	6.8
205.19536	1.3
213.16464	2.8
221.19040	1.8
223.14832	0.4
231.17455	8.2
232.17580	0.3
239.23785	0.8
241.15915	1.1
249.18517	5.6
274.17154	0.3
276.19608	0.7
277.17993	47.9
278.18344	0.8
278.97882	0.4
282.27789	2.6
295.19077	7.0
302.87030	0.4
313.27383	15.0
314.27798	0.4
320.22192	5.6
326.43982	0.4
338.23215	0.4
351.21671	9.6
364.54611	0.4
422.61496	0.4
431.18488	0.7
436.28253	0.7
446.47537	0.4
454.29376	0.6
550.48291	0.5
568.49469	0.5
589.44647	72.5
590.45209	4.2
607.45758	13.1
608.45929	0.7
680.62677	0.4
712.45477	1.3
730.46320	1.4
748.42377	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.4298
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.7
55.05517	1.4
57.03448	1.6
61.02932	6.5
65.03942	0.4
67.05517	5.0
69.03438	4.0
69.07065	1.8
70.07071	1.6
71.01353	0.6
71.04990	0.8
73.02930	4.8
77.86096	0.3
79.05502	3.5
81.03427	1.6
81.07066	7.1
85.02912	6.8
87.04487	0.4
91.03974	3.7
91.05502	2.5
93.07056	3.6
95.04991	0.3
95.08618	3.9
96.22595	0.3
97.02902	4.8
99.04482	1.0
101.01839	0.4
101.02384	2.0
105.07027	2.3
107.08611	2.1
109.02939	0.8
109.10186	1.4
112.03326	0.3
117.07063	0.4
119.08622	1.7
121.10162	2.4
123.11730	1.0
127.03951	1.8
130.86674	0.3
131.08603	0.5
133.10182	0.6
135.11746	1.0
137.13275	0.4
145.04930	0.3
145.10159	0.8
147.11716	2.5
149.13213	0.4
165.12814	0.7
167.79892	0.4
184.07321	0.4
185.04276	0.7
203.05389	0.6
243.08437	1.7
251.12630	1.3
307.15240	0.4
318.44104	0.4
335.25818	0.9
425.21762	0.4
469.20444	4.1
497.31293	0.7
519.29346	7.9
585.37885	0.4
690.78021	0.4
703.44061	0.8
747.42975	100.0
748.43390	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	747.43
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.5
55.05517	1.1
57.03436	1.3
57.07060	0.3
61.02942	5.1
67.05523	4.1
68.93838	0.3
69.03451	2.7
69.07077	1.4
69.92136	1.8
70.06068	0.3
71.05004	0.6
73.02930	4.3
75.04469	0.3
76.62943	0.3
79.05503	3.6
81.03433	1.3
81.07070	5.9
83.08633	0.8
85.02926	4.5
87.04469	0.5
91.03981	2.6
91.05473	2.5
93.07050	2.8
95.08620	2.8
97.02918	4.4
99.04479	1.0
99.08092	0.4
101.02397	2.0
103.03986	0.5
105.07052	2.4
107.08638	1.6
109.02865	0.9
109.10188	0.9
111.56230	0.3
119.08584	1.9
121.10224	1.9
123.11739	1.3
127.03981	1.1
131.08667	0.4
133.10159	0.4
135.11752	0.6
145.10121	0.4
147.11722	3.6
165.12811	0.5
185.04283	0.6
203.05336	0.5
243.08492	1.3
251.12776	1.1
268.32086	0.4
269.12653	0.4
272.04034	0.4
300.74780	0.3
307.15268	0.4
316.90976	0.4
335.25766	0.6
370.29724	0.4
425.21725	0.5
425.39124	0.5
469.20471	8.7
470.20789	0.6
519.29303	4.3
695.50470	0.4
703.44165	0.9
747.43024	100.0
748.43176	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.4292
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.5
55.05509	1.0
57.03443	1.7
61.02938	5.0
66.93442	0.3
67.05506	3.9
69.03423	3.2
69.07059	1.0
69.15287	3.2
71.01340	0.4
71.05001	0.9
73.02922	3.7
79.05498	3.5
79.86611	0.4
81.03424	2.8
81.07076	3.5
83.08636	0.9
85.02914	5.1
91.03954	2.8
91.05497	2.4
92.52594	0.4
93.07045	2.9
95.04976	1.3
95.08606	2.5
97.02899	3.7
99.04462	0.8
101.02402	1.7
105.07039	1.8
106.09677	0.3
107.04913	0.4
107.08610	1.3
109.02871	0.8
109.10180	0.6
111.08079	0.5
113.06109	0.3
115.48123	0.3
117.07046	0.4
119.08600	1.6
121.10161	1.2
123.08085	0.3
127.03955	1.5
129.06963	0.5
131.08611	0.6
133.10158	1.0
147.11723	0.9
157.10196	1.0
175.11304	0.4
185.04230	0.5
193.12256	1.1
211.13274	0.4
243.08449	1.5
246.03925	0.4
251.12537	0.6
307.15240	0.6
469.20465	8.0
519.29419	4.1
718.30725	0.4
747.42938	100.0
748.43280	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.43
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.8
54.99297	0.2
55.01884	0.4
55.05523	1.5
57.03446	2.4
61.02939	6.5
65.03928	0.3
67.05515	5.1
68.77364	0.2
69.03440	4.3
69.07066	1.1
69.81980	0.9
69.82394	0.4
71.01385	0.6
71.04998	0.5
73.02927	5.0
79.05507	4.9
81.03439	2.6
81.07069	5.7
82.93147	0.2
83.08647	1.0
85.02921	6.7
85.06575	0.2
87.04504	0.6
91.03973	3.6
91.05497	3.2
93.07059	4.1
95.04990	1.1
95.08625	3.5
97.02909	5.1
97.06562	0.3
97.10153	0.2
97.34788	0.2
99.04484	1.1
101.02412	1.6
101.76255	0.3
105.07035	1.9
105.66987	0.2
107.08605	2.3
109.02896	0.9
109.06540	0.6
109.10191	1.2
111.08144	0.3
115.03957	0.3
117.07117	0.3
119.08605	1.8
121.10143	2.0
123.08075	0.2
123.11733	0.5
126.59100	0.3
127.03943	2.0
129.07024	0.5
131.08603	0.9
133.10176	0.8
135.11780	0.9
145.10158	0.5
147.11769	0.9
149.13249	0.4
157.10194	0.5
161.13272	0.3
175.11215	0.5
185.04256	0.5
186.94589	0.3
193.12329	0.5
203.05354	0.5
211.13336	0.2
239.87364	0.2
243.08440	2.0
251.12695	0.9
281.95212	0.2
307.15338	0.4
335.25830	0.9
353.72812	0.3
367.70181	0.3
469.20432	3.8
519.29456	7.8
520.29810	0.3
546.50885	0.3
747.43005	100.0
748.43164	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	747.4073
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02688	1.1
53.44371	0.9
55.37322	0.8
57.07073	1.0
59.04983	2.9
63.30496	1.0
65.30706	1.3
67.05508	1.3
69.07044	0.9
71.51714	1.6
81.07091	1.2
82.99601	1.0
89.06016	2.0
92.60784	1.0
95.08620	1.3
108.61425	1.0
109.10147	1.1
124.88330	1.0
131.08546	1.0
133.08592	1.4
195.00378	1.8
324.46112	1.0
342.43353	1.2
453.72595	1.0
697.36731	1.6
747.40857	100.0
748.41296	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	745.4141
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.9
55.05515	1.4
57.03453	2.1
57.07080	0.4
61.02934	6.0
65.03918	0.4
67.05511	6.7
68.05850	0.5
69.03434	3.7
69.07090	1.8
69.57221	0.7
69.57618	2.5
71.01357	0.5
71.04994	0.9
73.02929	4.5
79.05506	5.5
81.03423	1.6
81.07077	7.0
82.03756	0.5
83.05026	0.4
83.08639	0.7
85.02914	4.9
86.09731	0.5
87.04496	0.6
91.03967	3.4
91.05505	2.6
93.07059	5.3
94.07399	0.5
95.04985	0.9
95.08619	5.3
97.02913	4.0
97.06543	0.6
99.04478	1.4
101.02409	1.3
103.03947	0.5
105.07047	1.9
107.04986	0.5
107.08608	3.8
109.02920	0.5
109.10199	1.9
117.07067	0.7
119.08598	1.5
121.10204	2.3
121.36599	0.5
127.03972	1.5
131.08607	1.0
133.10170	1.7
135.11726	2.3
145.10176	1.6
149.13341	0.6
159.11713	0.9
163.11223	1.9
184.07423	1.4
185.04294	0.6
193.34256	0.4
227.12790	0.9
242.51091	0.5
243.08444	2.5
249.11053	11.7
268.46872	0.4
284.95206	0.4
301.45154	0.4
305.13776	1.2
335.25882	1.1
336.26184	0.8
467.19028	5.2
504.37634	0.8
519.29395	8.4
548.40027	0.9
583.36444	0.6
745.41425	100.0
746.41571	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.4139
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.1
55.01866	0.8
55.05516	2.0
57.03436	1.7
57.07054	0.6
61.02708	0.3
61.02934	3.8
67.05513	4.5
69.03439	2.2
69.07069	1.3
69.26261	2.2
69.26675	1.2
73.02909	2.7
79.05495	4.7
81.03430	1.4
81.07070	4.9
83.04987	0.6
83.08604	0.8
85.02919	3.9
85.10814	0.4
91.03972	2.5
91.05478	2.1
93.07049	5.3
95.04990	0.8
95.08615	4.7
97.02891	4.1
97.06566	0.7
98.20895	1.3
99.04503	0.8
101.02396	1.7
105.07032	1.6
107.04984	0.6
107.08588	3.2
109.02905	0.6
109.10183	1.1
114.27237	0.4
117.07021	0.7
119.08604	1.7
121.06542	0.4
121.10140	2.4
127.03944	0.6
131.08607	0.6
133.10173	0.8
135.11687	3.8
145.10109	2.1
149.13286	0.4
159.11746	0.4
163.11194	4.2
181.12274	0.8
185.04366	0.4
194.72998	0.4
203.05273	0.4
219.09970	1.0
227.12804	2.7
243.08498	2.6
249.11032	8.2
287.18118	0.4
297.32309	0.4
305.13589	2.1
333.48062	0.5
335.25943	0.8
336.37515	0.4
467.18933	9.3
468.19162	0.5
507.54779	0.4
519.29297	4.7
583.35822	0.9
745.41357	100.0
746.41486	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	744.4899
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	3.2
54.11345	0.7
55.01883	1.2
55.05516	12.2
57.03445	6.3
57.07075	2.4
57.49816	0.7
59.05014	1.9
61.02933	2.6
65.03944	1.9
67.05510	96.1
69.03440	1.9
69.07073	11.2
69.47109	4.0
69.47513	1.3
71.05003	17.5
73.10128	0.7
77.03943	0.9
79.05498	33.7
79.87148	0.7
81.03426	2.0
81.07062	40.2
83.04993	4.2
83.08624	7.6
85.02913	2.6
85.06554	2.9
91.03994	0.8
91.04913	1.2
91.05486	23.0
93.07052	40.4
95.04990	5.1
95.08615	32.3
97.02909	2.5
97.06535	4.4
97.10165	3.5
99.08115	1.5
105.04557	1.0
105.07042	12.3
107.04971	1.7
107.08601	20.4
107.09299	1.2
109.06537	1.6
109.10165	62.5
111.08092	3.1
112.18745	0.7
117.07017	5.3
118.78286	0.7
119.08592	14.6
119.09369	1.4
121.10158	14.9
123.08121	1.3
123.11744	2.9
125.09631	1.0
129.07039	1.3
131.08597	6.5
133.10152	7.6
135.08122	0.8
135.11696	14.8
137.09613	8.7
143.08562	1.0
145.10144	6.5
147.11699	4.4
149.09601	1.3
149.13312	3.1
151.11189	1.2
155.10716	2.7
157.10181	1.2
159.11732	2.8
161.13303	2.9
163.11200	2.2
163.14883	1.6
165.12866	0.9
169.12283	1.2
171.11641	1.0
173.11783	7.1
173.13316	2.9
175.14841	1.7
181.12314	2.2
184.07391	2.7
187.14838	1.3
193.12146	0.8
199.13307	0.9
213.14711	0.9
229.14447	0.9
243.16000	2.5
255.15988	3.8
259.20926	0.9
261.22162	3.5
287.18546	16.6
317.24820	0.9
322.23376	0.7
335.25821	28.7
336.26233	0.9
337.27509	1.2
378.16501	0.8
391.27856	0.8
397.31345	1.6
471.34854	2.2
489.35776	100.0
490.36273	4.4
503.37375	4.3
505.30667	0.9
515.37311	10.0
547.39990	70.4
548.40845	3.7
726.61517	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.5759
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.2
55.05517	12.3
57.07084	3.6
59.05004	17.4
63.89066	2.1
64.15244	2.2
64.55624	2.1
65.03928	4.4
67.05233	2.4
67.05510	25.4
69.07072	25.0
71.08635	3.3
71.51631	2.9
73.06540	2.3
79.05504	18.7
81.07059	66.1
83.08626	7.2
88.38206	2.3
91.05473	20.8
93.07053	34.3
95.08614	52.1
97.06556	2.2
97.10145	4.0
102.49857	2.4
105.07029	33.4
107.08595	37.4
109.10161	30.7
109.46929	2.6
117.07072	5.2
117.09144	2.6
119.08593	36.6
121.10145	28.3
123.08052	9.6
123.11710	13.6
129.06989	2.4
131.08575	12.2
133.10159	19.3
135.08066	5.3
135.11682	17.7
137.13261	4.6
142.07797	5.1
143.08603	11.7
145.10121	20.9
147.11697	23.4
149.13249	9.9
151.07549	100.0
155.08589	4.2
156.09309	3.5
157.10130	16.8
159.11705	23.3
161.13240	14.9
163.14819	7.8
165.09167	4.4
167.08572	2.6
169.10205	5.8
171.11705	11.5
173.13297	14.8
175.07635	4.5
175.14838	9.0
177.09142	5.6
177.16341	3.3
181.10144	5.1
183.11699	6.7
185.13258	9.9
187.11165	2.4
187.14847	13.4
188.08238	2.7
188.34821	2.3
188.94781	2.1
189.09140	17.6
189.16447	7.4
191.10727	15.2
195.11606	3.5
197.13318	7.2
199.14777	7.7
201.16380	8.0
203.10698	10.6
203.18008	4.7
209.13297	3.9
211.14828	5.4
213.16402	7.5
215.10646	4.2
215.18016	6.4
217.12326	4.7
221.13298	2.9
223.14813	6.4
225.16422	4.2
226.09778	3.3
227.10701	4.4
227.17879	3.0
229.12259	4.0
229.19600	4.5
239.10776	2.8
239.18019	3.3
241.12190	3.8
243.20958	3.7
255.13814	3.3
255.21114	3.7
267.21207	3.4
269.22510	2.7
291.21198	3.1
293.22809	3.0
539.45642	2.9
613.09821	2.5
715.16193	2.6
729.95160	2.4
743.45874	3.6
743.57678	46.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.4343
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72633	0.4
53.03938	1.1
55.05505	1.6
57.03435	1.5
61.02935	5.8
67.05515	4.0
69.03439	2.4
69.07075	1.4
71.01343	0.6
71.04996	1.1
73.02919	3.9
79.05492	5.3
80.18079	0.4
81.03421	1.5
81.07064	5.5
83.08610	1.3
85.02903	4.8
86.09703	1.0
91.03968	3.0
91.05474	2.7
93.07038	4.6
95.04992	0.7
95.08598	3.8
97.02905	4.9
97.06527	0.6
97.10188	0.6
99.04456	1.1
101.02371	1.6
103.04004	0.5
105.07021	2.5
107.04954	0.5
107.08597	2.2
109.02930	0.5
109.10162	1.6
117.06992	0.6
119.08586	1.6
121.10191	1.7
125.00052	0.8
127.03917	1.0
131.08621	0.8
133.10152	1.3
135.11679	0.8
143.08580	0.6
144.90096	0.5
145.05083	0.5
145.10132	0.7
147.11734	1.0
149.13326	0.5
154.57126	0.4
171.11740	0.8
184.07368	3.2
185.04248	0.7
186.28885	0.5
228.95340	0.6
243.08456	2.1
247.13025	1.1
286.52872	0.5
335.25964	0.9
465.20868	3.8
519.29370	7.7
571.47137	0.6
591.00244	0.8
743.43451	100.0
744.43768	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	743.203
Annotation	Quercetin 3-glucosyl-(1->4)-xylosyl-(1->4)-rhamnoside
Peak:m/z	Relative Intensity
57.03443	2.8
61.02931	2.5
68.99784	0.5
69.03448	2.2
71.01342	0.3
71.05003	1.6
71.43039	0.4
71.43396	0.3
72.05308	0.3
73.02926	5.2
75.22434	0.3
81.03404	0.4
85.02912	7.0
91.03968	1.3
97.02908	3.7
109.02885	0.7
111.00804	0.7
115.03922	2.0
121.02857	1.0
127.03914	0.8
129.05508	1.0
133.04967	0.3
137.02342	2.2
145.04970	0.7
146.85086	0.3
149.02393	0.5
153.01848	2.4
158.17804	0.3
162.20157	0.3
163.03879	0.4
165.01904	1.5
183.02896	0.9
201.05467	1.3
204.47049	0.2
205.04898	0.3
219.02853	0.3
229.04982	3.3
232.06932	0.3
247.06090	0.5
257.04483	2.0
274.04776	0.3
276.92987	0.3
285.03958	1.2
287.02286	0.3
287.05536	9.3
288.05869	6.8
289.06110	5.0
303.05017	100.0
304.05438	1.8
315.04913	0.5
345.06122	0.5
369.06314	0.3
433.11002	0.4
434.11835	0.8
435.11816	1.1
449.10858	10.9
465.10287	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4737
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67747	0.9
53.03948	2.7
55.05518	11.8
57.03440	11.7
57.07076	1.5
61.02933	1.7
61.03451	0.8
65.03946	2.2
65.67628	0.8
67.05514	41.9
69.03419	1.7
69.07078	13.2
69.16021	9.9
71.04988	3.3
79.05502	26.6
81.07064	72.0
83.04980	3.0
83.08623	5.5
83.96629	1.1
85.02899	2.4
85.06554	3.7
91.05493	23.3
93.06482	1.6
93.07057	28.9
95.04992	1.5
95.08620	36.2
97.02911	2.0
97.06544	5.0
98.20872	3.9
98.21552	2.2
99.08124	2.3
105.07045	27.6
107.08612	17.3
109.06529	3.9
109.10181	9.3
111.08092	1.9
117.07028	3.0
119.08602	21.3
121.10150	21.5
123.08072	2.5
123.11732	20.1
127.34070	1.0
131.08574	4.4
133.10133	5.8
135.11743	5.5
137.09663	1.1
137.13313	1.6
145.10153	4.5
147.11702	41.5
149.13272	3.3
157.10153	1.4
159.11681	2.2
161.13266	2.9
163.14885	1.7
165.12775	13.7
173.13300	3.6
175.11191	1.6
183.13911	1.9
184.07448	1.1
187.14830	1.8
229.14363	3.1
243.21107	3.2
261.22186	12.0
267.15936	46.9
268.16385	1.5
279.23215	2.7
285.16995	46.1
286.17331	1.3
317.24707	2.0
335.25830	100.0
336.26190	2.2
407.57175	0.9
527.37244	2.7
545.38446	43.0
546.38318	2.8
605.43768	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4737
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	3.1
55.05270	1.4
55.05517	14.9
57.03221	1.0
57.03446	10.3
57.07069	1.7
59.38853	1.3
61.02943	2.3
65.03929	2.1
66.99134	1.1
67.05511	53.4
69.03429	2.1
69.06732	1.6
69.07076	19.3
70.98285	1.0
71.04982	3.4
77.03973	1.1
79.05502	34.6
81.07065	100.0
83.05006	5.7
83.08634	10.3
85.02897	3.5
85.06543	4.8
91.05489	30.8
93.06488	2.3
93.07055	39.1
93.80708	1.1
95.04964	2.8
95.08620	41.4
97.02883	1.5
97.06568	6.8
97.10178	2.8
98.21301	6.2
99.08090	3.5
105.07042	33.4
107.08611	23.7
109.04686	1.2
109.06506	4.9
109.10159	9.7
111.08119	1.2
117.07035	4.6
119.08602	31.4
119.09449	1.3
121.09344	1.6
121.10160	27.3
123.08048	3.0
123.11716	27.6
125.09566	1.2
127.07527	2.1
129.07025	1.9
131.08577	6.2
133.10162	9.2
135.08086	1.2
135.11722	8.0
137.09593	1.3
137.13246	3.2
145.10156	6.0
147.11707	58.6
148.11975	1.8
149.09770	1.1
149.13264	4.8
157.10175	3.5
159.11658	4.7
161.13222	2.2
163.14804	2.4
165.12767	26.6
173.13287	4.6
175.11192	1.9
175.14850	1.7
177.16409	1.7
183.13774	3.2
184.07169	1.1
187.14865	1.4
188.33195	1.1
193.12257	1.9
195.70650	1.2
215.17874	1.1
219.20901	1.5
229.14421	5.8
243.21094	6.8
261.22168	19.1
267.15939	68.4
279.23364	1.5
285.16989	85.4
286.17368	3.2
313.21793	1.3
317.24582	3.5
335.25839	82.8
336.26224	2.2
353.26965	2.4
453.33237	1.6
471.34167	1.6
527.37244	4.1
545.38434	60.1
546.38635	1.8
563.39612	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4742
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97881	0.6
53.03950	5.5
55.01860	3.0
55.05517	23.1
55.12479	0.9
57.03440	18.6
57.07076	2.0
61.02927	4.7
65.03938	3.3
67.05510	62.7
69.03437	4.2
69.06729	1.1
69.07072	17.5
71.01604	0.9
71.05002	6.6
71.08609	1.0
73.02906	1.2
77.03911	1.6
79.05499	52.6
81.03423	50.3
81.07062	65.0
82.07384	1.1
83.04985	13.0
83.08153	1.4
83.08625	25.6
85.02910	22.1
85.06577	1.8
86.05823	0.7
86.09705	1.1
87.03578	0.8
87.50590	0.8
91.03978	1.5
91.05486	43.8
93.07048	47.0
95.04977	25.4
95.08611	42.9
97.02889	4.3
97.06561	4.7
97.10191	4.6
99.08095	1.8
105.04514	2.4
105.07037	31.5
107.04972	5.4
107.08601	21.5
109.06520	4.9
109.10152	15.9
111.04426	2.1
111.08094	9.2
113.06025	1.5
115.05482	1.8
117.07025	7.4
119.08590	27.3
121.06482	1.7
121.10149	21.6
123.08064	2.4
123.11735	4.5
125.00040	1.0
125.09626	2.8
129.07010	10.2
131.08578	17.5
133.06488	1.7
133.10147	15.1
135.11716	9.6
137.09636	2.6
137.13277	1.3
142.07770	2.5
143.08562	1.4
145.10153	6.9
147.08069	3.2
147.11696	12.8
149.09599	4.6
149.13252	4.5
151.11220	0.9
155.08659	0.9
157.10146	10.7
159.11726	4.5
161.13309	3.8
163.11212	0.8
163.14862	2.6
165.12773	2.2
173.13318	3.7
175.11188	11.3
175.14873	1.3
183.11723	1.0
184.07384	2.1
187.14828	1.4
189.16406	1.2
193.12259	35.6
194.12543	0.8
211.13303	50.4
212.13594	1.0
233.22571	0.9
243.21082	3.4
259.20663	1.1
261.22180	11.0
264.72604	0.8
267.15952	14.3
285.16980	52.5
287.05368	0.9
299.24091	1.1
317.24783	2.7
335.25821	97.3
336.26187	2.1
378.73834	0.9
421.91818	1.0
435.32529	2.5
453.33527	1.5
471.34494	1.0
527.37323	13.1
545.38403	100.0
546.38416	4.5
622.04712	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4737
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	7.4
53.91636	1.7
55.01870	5.1
55.05513	24.5
57.03444	23.8
57.07080	1.7
61.02929	4.7
65.03947	5.5
67.05509	67.6
68.24825	1.7
69.03423	7.0
69.07070	16.6
69.15305	19.0
71.04986	5.3
75.28095	1.6
79.05499	59.7
80.01318	1.5
81.03423	73.9
81.07062	65.2
83.04984	18.7
83.08630	25.7
85.02914	34.2
85.06551	2.9
91.03952	3.2
91.05488	48.7
93.07056	50.8
95.04975	30.1
95.07996	2.2
95.08608	41.2
95.09184	3.2
95.77374	1.7
97.02361	1.7
97.02902	7.1
97.06520	4.4
97.10165	4.2
99.08096	2.6
105.07040	40.3
107.04948	8.0
107.08611	24.2
109.06518	5.8
109.10174	15.2
110.88972	1.6
111.04376	2.4
111.08087	12.2
113.05966	2.2
115.05408	1.8
116.59516	1.5
117.07034	6.6
119.08582	30.9
121.10161	22.0
123.08086	4.3
123.11710	5.6
129.07013	12.4
131.08591	19.8
133.06454	3.4
133.10141	18.8
135.11711	11.2
142.07840	1.8
145.10159	7.7
147.08061	2.6
147.11678	22.0
149.09627	5.4
149.13295	4.9
157.10127	18.0
159.11693	3.5
160.88441	2.1
161.13344	3.7
163.11266	2.6
165.12741	3.7
173.13300	4.9
175.11220	14.7
187.14828	2.6
193.12256	59.5
211.13304	98.4
212.13670	3.0
243.20903	2.4
261.22150	11.9
267.15958	18.1
268.46429	1.7
285.16974	97.2
286.17587	1.9
317.24670	3.0
335.25827	88.4
336.26178	3.1
435.32645	2.9
471.34430	1.9
527.37372	13.5
545.38434	100.0
546.38556	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	741.2241
Annotation	Kaempferol-3-Glucoside-2''-Rhamnoside-7-Rhamnoside
Peak:m/z	Relative Intensity
53.03947	1.2
55.01881	0.8
55.05517	3.9
57.03445	3.7
59.05005	0.5
61.02664	0.2
61.02933	1.7
68.99796	0.2
69.03436	5.4
70.49730	0.7
71.01360	0.5
71.05000	9.8
73.02925	0.9
75.04486	1.4
75.59586	0.2
78.14494	0.2
81.03424	2.3
83.04991	29.6
85.02914	29.0
87.04491	0.6
91.03941	0.5
95.04974	0.2
97.02901	5.9
97.04976	0.2
99.04459	1.4
101.06048	0.5
103.03965	0.4
103.05478	0.2
105.03429	0.2
107.04953	0.3
109.02911	2.1
111.00809	0.4
111.04456	13.1
113.95692	0.2
114.76643	0.2
121.02887	1.7
121.06483	0.3
125.02335	0.3
125.69382	0.2
127.03923	4.6
129.05493	9.5
131.04903	0.4
133.02876	0.4
137.02362	0.5
145.04977	3.1
145.06091	0.3
145.06551	0.2
147.04449	0.8
147.06549	1.8
149.05998	0.3
153.01845	2.2
153.05458	0.3
163.06050	0.3
163.07597	0.2
165.01891	1.5
169.20889	0.2
175.03848	0.2
183.02913	0.7
185.06102	0.3
189.05580	0.3
213.05499	0.6
231.06572	0.7
237.07651	0.8
241.05070	0.7
255.08612	1.1
258.05283	0.9
258.55865	0.2
259.06195	0.5
269.04285	0.3
273.09683	0.4
287.05530	100.0
288.05865	2.4
299.05591	0.8
322.16241	0.3
329.06534	1.8
397.09430	0.5
415.10022	0.5
433.11353	8.2
434.11505	0.3
439.74496	0.2
595.16638	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.2246
Annotation	Kaempferol-3-Galactoside-6''-Rhamnoside-3'''-Rhamnoside
Peak:m/z	Relative Intensity
53.03955	0.3
55.01880	0.2
55.05524	0.4
57.03451	2.7
59.05028	0.2
61.02935	0.4
68.99818	0.2
69.03436	0.7
69.45978	0.9
71.01380	0.3
71.05006	19.4
73.02930	0.3
73.83818	0.1
75.04513	0.8
76.14830	0.1
81.03436	0.3
83.04992	0.9
84.08178	0.2
85.02921	20.6
87.04507	0.5
87.11919	0.1
95.04987	0.2
97.02906	0.6
99.04478	0.3
105.03415	0.1
107.04988	0.2
109.02835	0.2
111.00836	0.5
111.04466	0.5
121.02892	1.4
127.03938	0.4
129.05502	4.8
133.02864	0.3
137.02408	0.2
145.04968	0.4
147.04443	0.4
147.06563	0.8
153.01851	1.9
157.06561	0.2
165.01910	1.1
183.02942	0.5
185.06038	0.2
213.05505	0.9
231.06630	0.4
241.05035	0.7
258.05310	0.7
259.06174	0.2
269.04562	0.3
287.05545	100.0
288.05881	1.9
299.05713	0.2
329.06680	0.7
397.09552	0.2
433.11349	2.2
449.10880	30.2
450.11188	1.1
495.72177	0.1
595.16687	6.8
596.17358	0.2
733.79639	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.2239
Annotation	Kaempferol-3-O-alpha-L-rhamnopyranosyl(1-2)-beta-D-glucopyranoside-7-O-alpha-L-rhamnopyranoside
Peak:m/z	Relative Intensity
55.05492	0.2
57.03445	1.2
61.02929	1.6
67.04279	0.1
68.99787	0.3
69.03428	0.3
69.17501	1.2
69.17919	0.6
71.01370	0.2
71.04995	7.9
73.02906	0.6
75.04472	0.6
81.03418	0.2
83.04984	0.5
85.02908	10.2
91.03947	0.6
97.02887	0.9
99.04452	0.2
105.03427	0.2
107.04974	0.2
111.00792	0.5
111.04443	0.5
121.02851	1.5
127.03909	0.5
129.05489	3.1
133.02864	0.4
137.02351	0.4
137.04575	0.2
137.87344	0.2
145.04980	0.4
147.04422	0.4
147.06508	0.8
150.65140	0.1
153.01823	1.8
157.06541	0.3
162.69412	0.1
165.01836	1.4
171.04414	0.2
183.02927	0.3
185.05980	0.3
213.05484	1.0
231.06493	0.3
241.05026	0.7
258.05246	0.9
259.06036	0.4
287.05505	100.0
288.05893	1.9
325.06601	0.2
329.06573	0.3
388.72397	0.2
433.11337	12.8
434.11676	0.2
449.10947	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.224
Annotation	Kaempferol-3-Glucoside-2''-Rhamnoside-7-Rhamnoside
Peak:m/z	Relative Intensity
55.05503	0.1
57.03439	1.4
61.02934	1.2
68.99796	0.2
69.03397	0.3
69.47992	0.5
69.48400	0.2
71.04996	7.9
72.90633	0.1
73.02931	0.5
75.04452	0.4
75.30237	0.1
81.03394	0.2
83.04994	0.5
85.02909	10.0
91.03964	0.7
95.16808	0.1
97.02893	0.9
98.21510	0.1
99.04448	0.2
107.04919	0.3
109.02859	0.1
111.00764	0.4
111.04408	0.3
120.79298	0.1
121.02878	1.4
127.03905	0.4
127.94648	0.1
129.05482	2.3
132.45380	0.1
133.02806	0.2
135.04439	0.1
137.02330	0.4
145.06538	0.1
147.04376	0.4
147.06537	0.7
153.01823	1.7
157.06412	0.2
161.05975	0.1
163.07526	0.1
165.01833	0.9
171.04448	0.1
183.02882	0.5
185.05873	0.3
204.06612	0.1
213.05481	0.7
213.07161	0.1
231.06503	0.5
231.08598	0.1
241.05038	0.5
258.05249	0.6
259.06158	0.3
269.04431	0.2
270.05154	0.1
287.05505	100.0
288.05829	2.2
329.06506	0.2
433.11334	14.2
434.11862	0.3
449.10837	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.2238
Annotation	Kaempferol-3-Glucoside-2''-Rhamnoside-7-Rhamnoside
Peak:m/z	Relative Intensity
53.03918	0.3
55.05495	0.3
57.03443	1.8
61.02920	0.7
68.99796	0.3
69.03426	0.6
69.16471	0.5
69.16807	2.7
71.04997	8.6
73.02908	0.4
75.04470	0.6
77.17592	0.2
79.84029	0.2
81.03416	0.4
82.88634	0.2
83.04980	0.6
85.02909	12.5
86.06098	0.3
86.92604	0.2
97.02914	1.2
98.20749	0.6
107.04984	0.3
109.02878	0.4
111.00800	0.4
111.04441	0.5
121.02892	1.7
127.03915	0.7
129.05487	2.9
133.02864	0.4
137.02400	0.5
145.04955	0.5
147.04431	0.5
147.06555	0.4
153.01852	1.8
165.01830	1.1
183.02904	0.6
185.05908	0.3
197.05949	0.3
213.05457	0.6
214.05838	0.2
231.06534	0.6
241.04878	0.9
258.05270	0.6
287.05511	100.0
288.05832	2.7
297.44138	0.3
329.06329	0.4
402.37540	0.3
430.17020	0.2
433.11346	13.1
434.11755	0.3
449.10577	1.3
595.17371	0.3
607.60693	0.3
685.43744	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4582
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.2
55.01883	2.9
55.05511	16.4
57.03439	11.2
57.07079	2.3
58.63013	0.9
59.04997	0.9
61.02934	1.3
65.03954	2.4
67.05506	42.6
69.03423	1.2
69.07067	13.6
71.05002	3.5
73.02948	1.3
79.05496	43.1
79.88359	0.9
81.03439	2.5
81.07057	47.2
83.05000	3.8
83.08635	10.8
85.02922	1.3
85.73569	0.8
91.05485	17.9
93.07048	56.7
95.04977	7.6
95.08611	56.0
97.02911	3.3
97.06531	5.2
97.10184	1.7
98.21579	1.4
99.04475	3.7
105.04523	1.0
105.07038	12.8
107.04956	8.5
107.08598	35.6
107.09305	1.9
109.06534	3.3
109.10161	11.4
111.04448	1.1
111.08131	1.5
111.11792	0.9
117.07018	11.7
119.08581	14.1
121.06502	4.7
121.10148	22.5
123.11711	2.8
125.06004	4.0
130.07816	2.2
131.08594	4.0
133.10159	7.2
135.08076	2.5
135.11702	52.0
137.09622	1.0
137.13327	1.4
139.07558	1.4
145.10130	30.5
147.11691	2.8
149.13300	3.1
153.12715	1.6
159.11705	2.7
161.13254	2.2
163.11186	62.2
173.13312	2.1
181.12241	9.9
184.07509	1.1
209.11790	2.4
227.12793	87.0
228.13226	1.8
229.07130	0.9
243.21144	3.4
261.22147	9.7
283.15408	99.3
284.15720	1.3
306.28009	3.5
308.29382	0.9
317.24863	2.9
327.62210	1.0
335.25809	100.0
336.26144	2.3
337.27115	0.9
457.33887	1.3
543.36847	89.9
544.37305	3.8
599.50562	4.2
696.38953	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4584
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	3.3
55.01866	2.7
55.05518	12.0
57.03450	7.2
57.07080	1.6
57.57983	0.6
65.03939	2.3
67.05511	40.4
68.05846	0.9
69.03448	0.7
69.06735	1.0
69.07076	12.4
71.04995	2.7
73.02911	1.3
79.05501	34.0
81.03426	2.1
81.07066	42.1
83.04996	3.3
83.08618	7.9
85.02914	1.1
85.06568	0.8
89.80425	0.6
90.51556	0.6
91.03899	0.6
91.05492	16.2
93.07052	45.4
95.04980	6.1
95.08616	48.4
97.02893	3.1
97.06541	4.4
97.10178	2.1
99.04459	2.8
103.05476	0.7
105.04488	0.8
105.07034	10.7
107.04969	5.7
107.08606	29.1
109.06519	1.2
109.10172	11.9
111.04449	0.8
111.08087	1.3
113.09676	0.7
117.07038	7.2
119.08588	9.2
121.06548	4.3
121.10156	16.6
123.08042	0.9
123.11723	2.7
125.05990	1.8
130.07779	1.0
131.08557	4.4
133.10121	5.6
135.08058	1.8
135.11705	39.4
136.11961	0.7
139.07587	1.1
145.10136	25.2
147.11707	2.3
149.13283	3.8
153.12730	0.8
154.20889	0.7
158.75328	0.7
159.11691	1.9
161.13268	2.4
163.11198	42.9
163.14847	1.0
173.13280	1.7
175.14934	0.8
181.12257	8.2
184.07542	0.9
209.11763	1.2
218.47557	0.7
227.12802	53.2
228.13153	1.2
229.28784	0.6
243.21111	2.1
261.22195	6.0
283.15424	48.6
284.15945	0.9
306.27881	2.5
311.58612	0.9
317.24728	2.1
335.25836	100.0
336.26114	4.2
337.27032	0.9
543.36871	72.6
544.37152	4.3
599.50201	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.2768
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.7
55.01874	0.8
55.05529	0.4
57.03444	0.9
67.05514	0.9
69.03441	1.6
70.06588	0.6
71.01376	1.0
71.04992	0.5
71.51832	0.5
79.05499	1.1
81.03436	0.5
81.07071	1.0
83.01348	0.5
83.04977	0.9
85.02917	3.3
85.06548	0.4
89.02412	0.4
91.05485	2.7
93.07040	0.9
95.04989	1.7
95.08626	0.9
97.02905	3.1
99.00838	0.8
99.04472	0.4
103.05489	6.7
105.07049	1.8
107.04945	0.7
107.08587	0.7
108.04479	1.1
109.02893	0.5
109.06518	0.8
109.10184	0.7
111.04409	0.6
113.02385	1.5
115.03950	0.4
115.05496	1.0
117.01872	0.4
117.05781	10.7
117.07035	0.8
118.06575	0.8
119.04957	0.6
119.08607	1.0
121.05627	0.3
121.06533	1.4
121.10122	0.5
122.06059	0.6
123.04433	0.6
123.08109	0.5
125.05992	0.4
127.03944	0.9
128.06281	0.6
129.07022	0.9
130.06522	2.3
131.04950	20.5
131.07321	2.9
131.08585	1.1
132.04466	1.4
132.05318	1.0
132.08109	32.9
133.06523	0.9
133.10158	1.0
135.04475	0.6
135.08058	0.5
136.07610	1.1
137.05957	1.1
141.01863	0.8
142.07724	0.9
143.08505	0.8
145.05231	5.5
145.06476	1.4
147.04465	0.8
147.08072	1.2
149.05991	0.7
150.05527	0.4
151.03952	0.4
151.07535	0.6
157.06549	0.6
157.10146	1.3
158.06064	0.4
159.08035	1.0
160.07599	57.6
161.06013	0.9
161.07994	0.9
161.09598	1.0
163.06325	0.4
163.07578	0.5
165.05556	0.4
165.09145	1.2
167.08507	0.5
170.07378	0.5
171.08119	0.7
173.06070	0.6
173.09645	0.9
174.06903	0.3
175.07547	1.1
175.11195	0.5
177.05435	0.4
178.08658	70.0
179.09033	0.8
185.06061	0.3
185.09631	1.5
187.02415	0.4
187.07558	0.7
188.07063	2.8
189.09131	1.1
191.06964	0.7
198.06668	0.4
201.09088	1.2
203.07022	0.7
203.10663	0.8
205.10170	0.9
206.08150	100.0
207.08470	2.5
213.09096	1.2
215.08572	1.1
217.08649	0.6
219.06520	1.2
219.10109	0.6
224.09157	3.7
229.08577	0.8
231.10188	1.6
233.09746	1.1
259.09720	1.2
262.10748	0.6
271.04303	0.4
277.10748	0.4
287.05414	1.9
289.07016	0.8
458.71466	0.4
479.13437	0.4
542.20245	0.4
543.42303	0.4
584.20758	0.9
602.22015	1.7
602.37170	0.4
637.14850	0.5
644.23462	2.7
662.24329	4.5
680.25055	1.4
704.25525	5.3
705.25482	0.5
722.26599	40.7
723.27155	2.3
740.26666	2.8
763.94745	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.3193
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80450	0.9
53.03940	2.5
55.01872	1.3
57.03435	2.3
65.03957	1.0
67.05483	2.9
69.03427	3.8
69.06670	0.8
69.07059	1.3
70.06598	2.1
71.51830	1.4
72.08153	1.1
73.02905	1.3
77.17636	1.0
78.50561	1.0
79.05492	3.3
81.03438	1.8
81.07043	2.4
83.05020	1.0
85.02922	5.2
87.00848	1.4
91.05482	3.7
93.07036	3.3
94.06573	1.7
95.04967	2.5
95.08617	2.6
96.08136	1.7
96.56660	1.0
97.02882	5.1
97.06529	1.0
99.00847	1.1
99.04488	1.2
103.05489	11.3
105.07027	2.9
106.06567	1.2
107.04974	2.4
107.08569	1.3
108.08129	5.6
109.02885	1.2
109.10149	2.2
110.09647	1.8
110.81419	1.0
112.02888	1.0
113.02390	3.1
116.05138	1.0
118.06531	1.0
119.08606	1.9
120.08112	3.2
121.10130	1.8
122.06013	2.9
122.09694	1.6
123.04440	1.2
124.07638	1.2
127.03874	2.0
131.04939	25.9
132.08084	1.2
135.06807	1.1
135.07962	1.2
135.11600	1.3
136.07600	8.9
137.06001	1.9
137.08394	1.1
137.09607	1.9
138.09155	9.9
142.93855	1.0
145.10086	1.3
146.06070	2.1
147.04364	1.5
148.07607	2.8
150.09177	6.3
151.06265	2.2
151.07541	1.4
152.07051	1.7
152.10692	3.2
159.02913	1.5
160.03966	1.5
162.09116	1.3
164.07111	2.1
164.10760	1.5
165.09160	9.0
166.08661	30.8
167.07057	2.1
168.10260	1.3
172.03911	3.8
176.07019	1.1
180.10229	3.6
182.11768	9.1
190.05083	2.4
190.07813	1.1
200.83821	1.1
204.06618	5.4
205.12221	1.8
209.10814	1.3
213.10269	1.8
215.08521	1.6
225.10286	2.3
226.10973	1.9
227.11726	1.8
228.12584	1.3
233.09723	2.0
236.09459	1.7
237.10222	4.7
241.09781	1.5
249.10262	3.3
250.11072	1.5
251.08096	1.4
251.11810	1.4
255.11406	1.9
259.14297	1.8
261.09915	1.0
263.08224	2.1
265.09818	6.7
266.10394	1.3
267.07758	2.8
267.11142	2.2
269.12766	1.5
271.06134	1.3
276.09216	1.1
277.09756	4.5
278.10571	2.1
279.07602	1.3
279.11301	3.2
281.09164	1.5
281.12857	1.6
285.12527	1.7
287.05505	4.5
287.13907	12.2
291.07602	3.3
293.09137	4.5
293.12851	2.0
295.10870	2.7
297.12259	2.1
303.04965	7.4
307.10889	1.3
309.08832	6.2
310.09540	1.2
311.10312	1.9
311.13745	1.5
313.15433	5.3
323.10281	9.1
325.11911	3.1
337.08154	1.8
337.11960	1.4
339.13370	4.1
341.11426	1.4
343.16306	1.1
355.13046	1.3
356.13800	1.2
357.14786	1.9
371.16138	14.6
372.16986	2.0
374.15091	1.4
383.12354	1.4
386.14951	1.4
400.16553	2.5
402.14328	1.4
415.15009	4.1
428.16159	1.2
429.23035	1.2
430.17896	1.8
450.19846	1.9
458.17029	2.9
473.19168	1.1
474.20251	2.9
476.18082	2.1
490.19751	6.0
500.18170	4.5
504.17657	1.7
518.19366	17.3
536.19800	1.2
550.21918	78.0
551.22424	5.0
582.24542	100.0
583.24780	6.6
657.25507	8.3
739.35596	4.2
769.71259	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.3193
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80450	0.9
53.03940	2.5
55.01872	1.3
57.03435	2.3
65.03957	1.0
67.05483	2.9
69.03427	3.8
69.06670	0.8
69.07059	1.3
70.06598	2.1
71.51830	1.4
72.08153	1.1
73.02905	1.3
77.17636	1.0
78.50561	1.0
79.05492	3.3
81.03438	1.8
81.07043	2.4
83.05020	1.0
85.02922	5.2
87.00848	1.4
91.05482	3.7
93.07036	3.3
94.06573	1.7
95.04967	2.5
95.08617	2.6
96.08136	1.7
96.56660	1.0
97.02882	5.1
97.06529	1.0
99.00847	1.1
99.04488	1.2
103.05489	11.3
105.07027	2.9
106.06567	1.2
107.04974	2.4
107.08569	1.3
108.08129	5.6
109.02885	1.2
109.10149	2.2
110.09647	1.8
110.81419	1.0
112.02888	1.0
113.02390	3.1
116.05138	1.0
118.06531	1.0
119.08606	1.9
120.08112	3.2
121.10130	1.8
122.06013	2.9
122.09694	1.6
123.04440	1.2
124.07638	1.2
127.03874	2.0
131.04939	25.9
132.08084	1.2
135.06807	1.1
135.07962	1.2
135.11600	1.3
136.07600	8.9
137.06001	1.9
137.08394	1.1
137.09607	1.9
138.09155	9.9
142.93855	1.0
145.10086	1.3
146.06070	2.1
147.04364	1.5
148.07607	2.8
150.09177	6.3
151.06265	2.2
151.07541	1.4
152.07051	1.7
152.10692	3.2
159.02913	1.5
160.03966	1.5
162.09116	1.3
164.07111	2.1
164.10760	1.5
165.09160	9.0
166.08661	30.8
167.07057	2.1
168.10260	1.3
172.03911	3.8
176.07019	1.1
180.10229	3.6
182.11768	9.1
190.05083	2.4
190.07813	1.1
200.83821	1.1
204.06618	5.4
205.12221	1.8
209.10814	1.3
213.10269	1.8
215.08521	1.6
225.10286	2.3
226.10973	1.9
227.11726	1.8
228.12584	1.3
233.09723	2.0
236.09459	1.7
237.10222	4.7
241.09781	1.5
249.10262	3.3
250.11072	1.5
251.08096	1.4
251.11810	1.4
255.11406	1.9
259.14297	1.8
261.09915	1.0
263.08224	2.1
265.09818	6.7
266.10394	1.3
267.07758	2.8
267.11142	2.2
269.12766	1.5
271.06134	1.3
276.09216	1.1
277.09756	4.5
278.10571	2.1
279.07602	1.3
279.11301	3.2
281.09164	1.5
281.12857	1.6
285.12527	1.7
287.05505	4.5
287.13907	12.2
291.07602	3.3
293.09137	4.5
293.12851	2.0
295.10870	2.7
297.12259	2.1
303.04965	7.4
307.10889	1.3
309.08832	6.2
310.09540	1.2
311.10312	1.9
311.13745	1.5
313.15433	5.3
323.10281	9.1
325.11911	3.1
337.08154	1.8
337.11960	1.4
339.13370	4.1
341.11426	1.4
343.16306	1.1
355.13046	1.3
356.13800	1.2
357.14786	1.9
371.16138	14.6
372.16986	2.0
374.15091	1.4
383.12354	1.4
386.14951	1.4
400.16553	2.5
402.14328	1.4
415.15009	4.1
428.16159	1.2
429.23035	1.2
430.17896	1.8
450.19846	1.9
458.17029	2.9
473.19168	1.1
474.20251	2.9
476.18082	2.1
490.19751	6.0
500.18170	4.5
504.17657	1.7
518.19366	17.3
536.19800	1.2
550.21918	78.0
551.22424	5.0
582.24542	100.0
583.24780	6.6
657.25507	8.3
739.35596	4.2
769.71259	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.4791
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.9
55.05517	13.9
57.03422	4.8
57.07062	3.0
59.04985	4.6
59.54278	1.9
65.03922	2.5
65.61691	1.8
67.05511	44.7
69.07057	7.9
79.05499	42.9
81.03410	3.7
81.07060	34.2
83.04972	7.8
83.08617	6.0
91.05484	29.4
93.07055	47.2
95.04970	8.7
95.08612	25.5
96.48598	1.8
97.06546	2.2
102.05574	2.8
105.04518	4.0
105.07046	21.3
107.04975	2.3
107.08605	18.9
109.10146	8.9
117.06985	5.3
119.08592	11.8
121.10144	7.6
123.11735	2.2
129.07001	6.3
131.08582	5.0
133.10126	7.0
135.11690	2.5
143.08583	2.5
145.10098	7.1
147.11690	17.1
149.13240	2.7
159.11719	4.7
161.13223	3.5
171.11665	8.0
173.13416	2.1
189.12749	2.6
207.13803	8.7
226.97110	2.1
227.30836	2.2
261.22037	3.8
281.14752	2.5
281.17538	25.6
317.24701	2.4
335.25845	44.0
336.84387	2.1
361.00504	2.3
522.88599	2.5
541.38959	100.0
542.38843	4.8
597.48627	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	736.4919
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.7
54.50203	1.2
55.01864	1.7
55.05513	13.3
57.03420	2.8
57.07071	1.8
59.04991	3.4
65.03942	1.9
65.70165	1.3
67.05509	40.7
68.34721	1.2
69.07066	11.7
70.81802	4.1
74.06059	1.4
74.09722	40.8
79.05496	33.0
79.05909	0.7
81.06594	2.1
81.07056	37.0
81.35455	1.1
83.04967	2.4
83.08614	4.9
85.05275	1.5
91.05489	16.5
93.06483	2.2
93.07046	33.9
95.04953	2.7
95.08607	26.3
97.06547	1.4
98.05549	1.1
98.06059	10.3
105.07049	7.9
107.08593	12.1
109.10156	10.9
112.07555	1.7
117.07024	3.3
117.50294	1.1
119.08601	7.5
121.10159	11.6
123.11706	2.7
131.08563	5.8
133.10101	4.1
135.11682	5.3
144.75647	1.3
145.10150	2.7
147.11702	2.8
149.13248	2.1
159.11612	2.3
161.13318	2.3
163.14886	2.0
175.14864	1.5
217.63876	1.3
261.22058	2.2
302.24515	1.2
304.26346	100.0
305.26590	3.5
306.28009	2.2
335.25800	38.7
341.71985	1.2
439.19907	1.5
595.47198	68.5
596.47028	3.8
635.57928	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	736.4912
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.3
55.01859	1.5
55.05522	8.2
57.03425	3.6
58.90518	0.9
65.03937	1.5
67.05514	30.8
68.89722	0.9
69.07076	9.7
71.51963	1.5
72.04512	0.9
79.05077	1.1
79.05497	12.1
81.07066	23.1
83.08633	1.5
85.05280	2.0
86.06075	1.2
86.09750	0.9
91.05495	7.0
93.07047	11.9
95.04968	0.9
95.08614	19.4
97.10169	0.9
98.06064	15.5
101.25433	0.8
105.07040	4.2
107.08604	5.8
109.10191	6.8
112.07579	1.3
117.07042	0.9
119.08578	5.0
121.10167	4.2
123.23898	0.7
127.83048	0.8
131.08572	1.1
133.10143	2.9
135.11688	2.9
140.10678	1.3
145.10086	1.2
152.10699	1.3
159.11694	1.2
161.13297	1.5
184.07471	0.9
208.16930	1.5
222.18616	1.6
227.29991	0.8
262.89163	0.9
262.98453	0.9
302.24765	8.9
304.26373	100.0
305.26688	1.9
306.27927	12.2
320.25812	2.0
333.24347	1.1
335.25845	41.8
336.26028	1.6
337.27353	4.0
400.22238	0.9
493.38037	1.0
743.01147	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.4508
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.6
55.05518	1.7
57.03451	2.0
61.02937	6.1
67.05516	5.8
69.03433	3.0
69.07080	2.0
69.39538	0.4
71.01360	0.4
71.05012	1.1
71.51852	0.6
73.02930	3.8
79.05503	4.0
81.03436	1.2
81.07070	6.7
83.08643	1.2
85.02919	6.7
87.04479	0.7
89.06060	0.6
91.03961	3.7
91.05491	2.5
93.07069	4.1
95.08629	5.5
97.02915	5.9
97.06573	0.7
99.04464	0.8
101.02388	1.9
103.03925	0.4
105.07053	1.5
107.08610	1.9
109.02912	0.9
109.10176	1.6
111.08108	0.5
115.03988	0.6
117.06991	0.5
119.08639	1.7
121.10197	1.6
123.11748	0.5
127.03942	1.8
131.08603	0.6
133.10178	1.2
135.11783	0.9
143.40176	0.3
145.10161	0.6
149.13341	0.6
161.13303	0.9
179.14447	0.4
185.04405	0.4
203.05322	0.7
243.08614	1.5
318.60117	0.4
335.25833	0.5
455.22690	4.5
519.29388	9.3
597.20575	0.4
733.45166	100.0
734.45422	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	736.4764
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.1
55.01869	1.6
55.05518	7.7
56.71284	0.8
57.03448	0.9
57.07080	15.1
57.53382	0.7
59.04995	2.7
67.05509	16.1
69.07076	9.9
71.04986	1.8
71.08637	10.5
72.00980	0.9
74.09708	1.4
76.23286	0.8
79.05497	7.7
81.07063	21.6
83.08625	12.9
85.06552	2.5
85.10197	6.0
87.04520	0.8
91.05473	3.5
92.36734	1.2
92.65163	0.7
93.07047	9.2
95.05001	1.1
95.08607	15.4
97.06518	2.8
97.10168	2.4
103.22773	0.7
105.06995	1.6
107.08594	9.6
109.10155	5.3
111.08076	2.4
119.08567	1.1
121.10126	4.2
123.11690	2.5
125.09578	1.0
131.41060	0.8
147.11693	1.4
149.13246	9.4
153.07396	0.9
167.14330	2.3
177.12640	1.1
180.43729	0.8
200.44363	0.8
213.14902	1.6
223.16884	1.9
226.56900	0.9
228.95888	0.8
231.15909	3.5
238.17943	1.8
239.23686	1.9
241.17941	1.3
265.18018	2.0
274.19299	0.8
283.19104	5.5
313.27286	2.5
326.23148	2.5
357.22629	1.9
595.45740	100.0
596.45978	5.8
736.47089	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	732.5622
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05191	0.9
53.03939	2.1
55.05516	8.4
56.05046	5.3
57.03437	1.0
57.07074	5.1
58.06594	1.3
59.05005	0.7
60.04530	70.7
65.03946	0.8
67.05510	14.7
68.05025	0.8
69.06734	0.9
69.07076	12.5
69.82342	4.0
70.06577	2.5
71.08630	2.9
72.04523	5.2
74.06080	2.8
79.05499	10.2
80.05041	1.6
81.03419	1.9
81.07063	15.5
82.06570	3.3
83.05001	1.4
83.08623	8.2
84.08141	1.4
85.02911	2.0
85.10206	1.7
86.06075	2.9
86.57656	0.7
90.05560	4.2
91.05492	8.3
91.66084	0.8
93.07042	8.4
94.06581	4.5
95.04958	2.2
95.07363	2.2
95.08612	16.0
96.08121	1.5
97.06501	1.3
97.10150	4.5
98.06066	2.5
98.20746	1.0
99.06830	0.9
100.07622	1.5
104.71850	0.6
105.07043	5.7
107.08578	4.9
108.08157	1.2
109.06560	0.9
109.10164	6.3
110.09698	1.0
111.08105	1.2
111.11738	1.5
113.85787	0.7
119.08585	4.8
121.10153	2.7
122.09636	1.5
123.08036	1.3
123.11684	2.0
133.10158	5.9
135.11714	3.1
136.11308	1.1
137.13257	0.9
147.11708	2.2
161.13280	1.4
238.25552	0.9
245.22704	3.3
250.25330	2.7
262.25314	25.0
263.23715	4.7
268.26367	0.9
272.25961	5.9
276.27582	0.8
280.26349	26.7
285.29489	0.8
286.61044	0.8
298.27448	9.0
314.26962	3.1
316.01328	0.8
316.28491	2.2
344.28177	1.2
359.06549	0.8
372.39636	0.8
516.47888	3.9
534.48816	13.6
535.49011	0.8
552.49915	100.0
553.50043	4.1
559.96033	0.8
570.50909	25.7
570.59869	1.3
571.51166	1.6
707.12628	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	732.5622
Annotation	Aralia cerebroside
Peak:m/z	Relative Intensity
55.01877	1.1
55.05516	8.7
56.05045	3.7
57.03444	0.9
57.07070	6.4
59.05004	0.7
60.04530	74.6
62.78777	0.8
63.67453	0.8
64.41434	0.7
65.03935	1.5
67.05175	1.4
67.05505	16.4
67.20277	0.8
68.05042	1.1
69.07066	13.5
70.06580	3.2
70.63202	0.7
71.04982	1.6
71.08620	4.4
71.12468	1.3
72.04518	4.4
74.06068	3.4
79.05496	10.0
80.05024	1.0
81.03423	3.8
81.07059	16.0
82.06575	3.0
83.04982	1.6
83.08628	8.5
84.08154	0.9
85.10170	1.5
86.06077	1.8
90.05551	2.5
91.05483	10.8
93.07045	10.3
94.06580	5.9
95.04955	1.5
95.07330	1.0
95.08617	15.7
96.08135	3.5
97.06537	2.2
97.10158	5.3
98.06058	1.7
100.07624	0.8
105.07047	6.0
107.08621	5.3
108.08146	1.1
108.83904	0.7
109.10163	4.7
110.09663	0.9
111.08102	1.0
111.11730	1.6
112.07613	1.4
119.08575	6.6
121.10148	4.6
122.09696	1.5
122.24224	0.7
123.08058	1.6
123.11687	2.1
130.56432	0.9
133.10168	4.7
135.11703	3.0
136.11226	1.3
137.09641	1.3
137.13193	0.7
142.50391	0.8
147.11719	1.8
149.13269	1.7
161.13251	1.8
163.14755	0.9
226.97456	0.8
233.22693	0.7
234.22157	1.1
245.22668	4.2
250.25346	1.9
262.25320	28.2
263.23676	5.4
266.24820	0.9
268.26532	1.6
272.25876	7.5
280.26389	25.9
298.27402	9.5
308.03064	0.9
314.26886	2.8
316.28442	1.9
321.13977	0.8
344.28076	1.5
504.47433	1.3
516.47687	4.1
534.48834	16.6
552.49902	100.0
553.50385	5.0
570.42419	1.6
570.50983	25.7
679.41992	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.434
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.5
55.05517	1.0
57.03437	1.4
61.02928	4.0
62.36226	0.4
67.05508	5.8
69.03429	2.2
69.07064	1.2
70.10536	1.5
71.01381	0.4
71.04996	0.4
73.02922	3.5
75.17057	0.3
79.05494	3.4
79.98854	0.3
81.03426	1.2
81.07066	5.8
83.05013	0.4
83.08624	0.9
85.02908	4.4
91.03946	2.4
91.05482	1.6
93.07050	4.3
95.08620	2.8
97.02904	3.9
97.06533	0.8
97.18335	0.4
99.04454	1.0
101.02399	2.1
105.07033	0.8
105.62377	0.5
107.08605	2.4
109.02877	0.8
109.10168	1.3
115.03927	0.4
117.07011	0.5
119.08617	0.7
121.10165	1.8
123.50555	0.3
127.03938	1.2
131.08606	0.8
133.10144	0.7
135.11737	0.6
149.13287	2.2
159.11716	0.9
161.41051	0.4
185.04242	0.6
193.72568	0.4
193.84189	0.4
195.13972	0.4
209.71205	0.4
235.13031	0.7
243.08389	1.8
291.15930	0.4
417.70676	0.4
453.20959	7.4
519.29333	5.2
666.49402	0.5
731.43427	100.0
732.43896	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.4343
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.8
55.05526	0.9
57.03436	1.8
59.04998	0.7
60.55319	0.3
61.02935	4.5
64.35621	0.4
64.98526	0.4
67.05508	5.3
69.03429	3.0
69.07082	1.2
69.42480	1.2
69.42912	1.7
71.01355	0.6
73.02927	3.5
75.12794	0.4
79.05506	3.5
81.03410	1.5
81.07063	5.6
83.08631	0.8
85.02914	4.7
85.03394	0.6
85.06525	0.4
87.04458	0.5
87.83774	0.4
91.03948	3.4
91.05476	2.1
93.07062	4.5
95.01269	0.4
95.04992	0.4
95.08605	3.4
97.02901	5.4
99.04477	0.9
101.02393	1.7
105.07045	1.2
107.08621	2.2
109.02883	0.6
109.10184	1.3
117.07030	0.7
119.08588	0.8
121.10181	1.9
127.03937	1.5
128.04405	0.4
131.08592	0.9
133.10156	0.8
135.11696	1.0
149.13327	1.1
155.27179	0.3
159.11800	0.4
161.13338	0.4
177.12642	0.5
184.07338	0.7
187.16452	0.4
195.13795	0.5
210.71207	0.4
235.13071	1.1
243.08566	1.7
269.17599	0.5
335.25781	0.5
453.21082	4.3
519.29346	9.0
630.62775	0.4
731.43451	100.0
732.43329	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	730.5465
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	1.6
55.05521	9.0
56.05034	1.7
57.07090	6.4
57.07304	1.3
59.05009	5.4
60.04531	38.6
67.05177	1.7
67.05507	22.2
69.03432	1.7
69.06800	1.0
69.07073	11.9
69.34367	10.2
70.06599	1.6
71.08632	3.5
72.04505	4.7
73.02898	1.3
74.06079	2.8
79.05496	12.1
81.03410	4.7
81.06660	1.5
81.07066	20.0
82.06561	3.0
83.04983	2.3
83.08627	7.1
83.19189	1.1
84.04486	3.8
85.02862	1.7
85.10217	1.3
89.06025	2.2
90.07224	1.1
91.05499	8.5
93.07052	13.3
94.06561	1.2
95.04959	5.8
95.08615	14.2
96.04531	1.1
96.08121	1.3
97.06547	1.9
97.10176	4.1
100.07587	1.9
103.12231	1.1
105.07040	6.9
107.08607	5.6
108.08130	1.3
109.06533	1.2
109.10168	6.0
110.06046	1.0
111.08073	2.1
111.11734	1.9
117.07022	4.5
119.08584	5.1
121.06488	3.0
121.10165	7.8
123.11713	2.9
131.08563	8.3
133.08609	1.9
133.10147	2.9
135.08070	3.0
135.11719	3.0
143.08592	1.3
145.10117	3.9
147.11615	1.2
148.11253	1.2
149.09612	2.2
159.11664	1.5
184.07359	5.1
243.21066	4.4
260.23642	8.7
261.22153	10.8
266.24850	2.0
272.26001	5.4
278.24820	13.9
279.23163	1.9
296.25803	4.2
314.27072	2.3
445.81354	1.2
514.45789	2.8
532.47369	6.1
550.48334	100.0
551.48389	5.2
568.49316	26.7
569.49377	1.5
574.75311	1.5
601.51300	2.0
730.41669	2.7
731.43512	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.3666
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	1.8
57.03432	2.8
59.04989	0.7
61.02937	4.7
62.77708	0.6
67.05506	2.5
69.03435	3.7
69.07069	1.6
70.06605	1.1
70.09617	3.1
71.04987	0.7
73.02918	1.9
78.74488	0.7
79.05503	3.8
83.04969	3.2
83.08620	1.5
84.08148	0.7
85.02912	6.9
86.09695	0.7
91.03970	2.0
91.05479	5.2
93.07053	2.3
95.04973	3.2
95.08610	2.1
97.02917	4.0
97.06560	1.0
99.00835	0.8
99.04464	1.4
101.02392	1.5
103.05473	2.1
105.03367	0.9
105.07032	3.5
107.04990	1.5
107.08618	1.7
109.02919	0.9
109.10190	0.8
111.04456	0.7
111.08090	1.3
113.02401	1.8
115.05450	0.8
119.08599	2.9
121.10150	2.5
123.04437	0.8
127.03938	2.5
129.07014	1.2
131.04942	3.0
131.08560	2.2
133.10106	1.4
135.04398	0.8
137.05980	0.9
139.03899	1.4
141.01834	0.6
147.11653	1.5
149.09651	1.6
157.10159	1.6
163.03969	1.3
175.11247	1.2
193.12303	2.1
205.10150	0.9
215.08777	0.8
243.08452	1.9
283.15182	2.8
339.12418	1.1
445.01270	0.7
469.20532	8.1
470.20200	0.7
501.23105	8.7
553.42499	0.7
729.36652	100.0
730.37201	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	729.2761
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79037	0.9
51.02398	1.1
53.03951	2.8
55.01868	3.0
57.03451	1.4
57.05724	0.8
58.61405	1.0
61.02925	1.1
65.03949	14.0
67.05521	1.9
69.03432	2.7
69.62506	6.1
70.55224	1.0
71.05005	1.3
73.02927	0.9
73.60610	1.1
76.39161	1.0
77.03938	1.7
78.04726	1.4
79.05508	7.8
81.03419	2.3
81.07055	2.8
82.04179	2.2
85.02930	6.0
91.05498	9.2
93.03418	9.5
93.07071	1.0
95.01344	3.4
95.04974	3.2
97.02901	3.3
97.06573	1.4
98.21482	2.2
103.05477	5.8
105.07041	8.0
107.04952	10.6
108.02081	1.6
109.02882	1.0
110.03686	12.1
111.04480	14.8
115.05476	4.8
118.04147	2.5
119.04978	6.3
119.08589	1.9
121.06499	2.2
121.12492	1.0
123.04438	5.5
124.05210	3.2
125.06026	14.4
128.06230	3.3
129.07013	4.6
131.04955	9.0
132.05754	2.1
133.02855	3.0
133.06502	6.4
135.04388	1.2
137.06012	12.0
138.03145	1.8
143.04947	1.5
144.05731	1.3
145.06517	2.8
147.04448	7.8
147.08073	1.4
148.22624	1.0
149.06017	2.8
151.03902	2.0
151.07555	3.8
152.04718	1.7
153.05490	77.4
155.04939	2.7
159.08128	6.9
160.05180	3.0
161.06038	8.0
163.07596	2.8
164.04765	1.3
165.05518	1.5
165.07048	1.6
166.98712	1.0
167.07069	57.5
171.04413	1.9
172.05272	2.7
175.07574	12.9
176.04677	1.3
177.05495	3.9
178.07823	3.5
179.07152	5.4
179.08514	1.6
181.05058	1.8
184.05235	2.1
185.06017	2.4
186.06766	2.9
187.07584	14.3
189.05458	4.5
189.07030	2.9
190.07805	3.7
191.07057	6.4
191.08627	5.1
193.06584	1.5
195.08133	1.2
198.06734	1.3
199.07571	5.6
201.05502	1.3
202.07822	4.3
203.08650	5.4
205.06535	3.6
206.07318	4.4
207.06436	1.9
207.08116	3.8
208.08875	2.1
209.08058	1.9
215.07028	2.8
215.08777	1.7
216.07829	7.8
217.06548	2.4
218.07239	6.9
219.08142	10.9
219.10173	1.6
220.08878	7.0
221.05975	2.3
221.09621	5.0
223.07623	2.1
229.08684	8.7
231.08040	5.1
232.08919	2.5
233.06007	4.0
233.09682	4.6
234.06836	4.0
235.07579	7.2
236.08369	7.3
237.09119	3.3
243.08078	1.5
245.06024	3.4
246.06828	2.5
247.07527	7.2
248.08293	7.3
249.05606	1.4
249.09142	7.6
250.06259	1.9
250.09720	1.2
251.07080	3.2
251.10719	10.8
253.08611	1.9
258.06845	1.5
259.07516	2.8
260.08432	2.6
261.05508	3.5
261.09097	5.5
262.06247	1.5
262.09918	2.3
263.07080	4.1
263.10690	3.4
264.07858	11.4
265.08609	10.8
266.09332	1.3
267.10013	1.0
274.06003	1.2
275.06955	3.4
276.07880	9.7
277.08661	9.8
278.09421	5.1
279.10095	7.8
280.10950	1.3
281.08517	1.6
281.11728	6.0
287.05463	6.2
288.07919	1.8
289.08655	4.6
290.09460	2.7
291.07037	1.3
291.10144	7.2
292.07346	2.3
292.10803	1.2
293.08133	7.9
293.11798	3.0
294.08939	2.3
295.09818	1.4
304.07336	3.2
305.08148	2.8
305.11472	1.4
306.08929	2.1
307.06210	2.2
307.09705	40.1
307.13193	2.3
308.10413	9.7
309.08035	1.7
309.11227	8.9
311.12659	2.1
319.09686	10.2
320.10382	2.3
321.07864	1.8
321.11145	5.8
323.12729	7.8
324.09973	1.6
326.11707	1.7
336.10013	1.7
336.13464	1.5
337.10782	1.4
339.12320	100.0
340.12720	3.7
341.13925	13.9
351.12360	37.4
352.12872	1.1
353.13843	6.1
369.13495	2.7
435.10901	3.1
501.18356	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.276
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02398	0.9
53.03941	2.2
55.01874	0.9
57.03427	0.8
61.02922	0.8
65.03947	11.4
67.05503	1.5
69.03423	2.5
69.35932	3.3
69.36355	2.7
71.04993	0.7
75.04488	0.8
78.04711	1.3
79.05505	5.1
81.07047	1.7
82.04208	3.1
84.08158	0.8
84.43222	0.8
85.02915	4.6
91.05487	8.5
93.03412	9.1
93.07031	0.7
93.20280	0.6
94.04177	0.9
95.01342	2.1
95.04965	2.2
96.15392	0.7
97.02896	2.3
103.05476	4.3
104.06268	1.1
105.03413	1.1
105.07065	7.0
106.04155	1.2
107.04961	7.4
108.02103	1.0
110.03670	13.7
111.04461	12.5
115.05454	4.6
117.07026	0.9
118.04165	1.3
119.04962	7.4
119.08592	1.5
121.06544	1.0
122.03657	1.1
123.04472	4.2
124.05222	1.6
125.06007	17.0
127.03979	1.1
128.06224	2.7
129.07039	5.0
130.04179	0.8
131.04948	8.5
132.05757	1.1
133.02863	2.7
133.06493	5.0
136.05260	0.9
137.05981	9.3
138.03125	1.5
144.05727	0.8
145.06511	2.2
147.04413	7.0
147.08061	2.0
149.06017	1.4
151.07568	2.2
153.05479	73.8
155.04929	1.4
157.06488	1.2
159.08086	6.7
160.05194	1.0
161.06006	7.1
163.03969	1.1
163.07520	0.9
165.05527	1.4
165.06917	1.3
167.07057	45.1
168.07367	1.0
171.04437	1.8
171.08040	1.0
172.05193	2.0
175.07570	11.1
176.04813	0.9
176.06241	0.9
177.05464	2.2
177.06952	1.1
178.07809	2.2
179.07133	4.8
179.08492	1.3
181.04951	0.9
184.05165	1.2
185.06010	2.8
186.06831	3.3
187.07564	10.1
189.05479	5.0
189.07043	2.9
189.09084	1.1
190.07813	2.7
191.07104	4.2
191.08400	3.9
193.06615	1.1
194.07298	1.7
195.08148	1.2
198.06760	1.0
199.07550	5.5
201.05447	0.9
202.07777	3.8
203.06998	0.9
203.08633	4.6
205.06512	3.1
205.10252	1.4
206.07318	3.0
207.06464	1.8
207.08134	2.1
208.08778	1.4
209.07924	1.0
209.09756	0.9
214.06291	1.6
215.07063	2.7
215.08833	0.9
216.07787	7.3
217.06500	2.1
217.08466	1.0
218.07301	6.6
219.08054	11.2
220.08867	5.2
221.06056	2.5
221.09503	3.8
222.06651	1.4
223.07558	1.4
225.09192	1.1
229.08620	7.5
230.07318	1.2
231.08051	3.7
232.08838	1.9
233.06041	3.5
233.09564	4.1
234.06839	4.5
234.10393	1.1
235.07541	7.6
236.08261	6.4
237.09113	2.5
239.07098	0.9
245.06047	1.1
245.09790	1.1
246.06740	3.4
247.07587	7.3
248.08249	5.5
249.05464	1.3
249.09100	7.2
250.06310	1.0
250.09906	1.9
251.07062	2.5
251.10699	11.2
253.08609	1.3
259.07605	2.6
260.08395	2.2
261.05585	3.6
261.09100	5.2
262.06253	2.1
262.09872	2.3
263.07019	4.8
263.10660	2.8
264.07834	8.8
265.08603	11.5
266.09189	1.3
274.06128	1.2
275.07117	3.7
275.10474	0.9
276.07809	9.7
277.08679	7.7
278.09277	4.5
279.06860	1.2
279.10162	8.9
280.10797	0.9
281.08316	1.5
281.11758	5.8
283.12903	0.8
288.07745	1.6
289.08685	4.4
290.09344	1.8
291.06857	1.3
291.10199	4.5
292.07333	3.3
292.10614	1.3
293.08121	6.1
293.11478	1.7
294.08768	1.2
295.09811	1.4
296.10495	1.3
304.07352	2.2
305.08197	2.6
305.11813	1.0
306.08887	2.7
307.09665	38.3
308.10446	9.0
309.07773	1.3
309.11066	5.6
311.09271	0.8
311.12756	2.4
319.09641	11.3
320.10272	2.0
321.07657	1.5
321.11270	5.6
323.12769	7.6
324.10010	1.6
324.13458	1.1
326.11636	1.2
326.98328	0.8
336.09683	1.7
336.32425	0.9
337.10703	2.3
339.12299	100.0
340.12631	3.6
341.13901	10.0
351.12308	36.4
352.12897	2.2
353.13916	6.4
369.13214	3.2
499.17590	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.1881
Annotation	Primflaside
Peak:m/z	Relative Intensity
52.01374	0.2
52.12093	0.2
55.01870	0.7
57.03191	0.3
57.03446	4.1
61.02937	1.7
62.41295	0.2
65.03938	0.2
69.03441	7.3
70.06590	0.3
70.17148	0.8
71.01351	0.8
72.37305	0.2
73.02927	12.0
79.05476	0.2
81.03413	0.3
85.02435	0.3
85.02917	4.5
87.04483	0.4
97.02905	11.3
98.03183	0.2
99.04482	1.4
103.03964	0.5
109.02907	0.3
111.00817	0.8
113.02385	0.2
115.03950	6.6
117.05528	0.3
121.02878	0.8
123.04433	0.4
127.03935	0.5
133.04994	1.2
137.02347	3.4
143.03375	0.3
149.02382	0.2
151.27148	0.2
153.01852	2.7
157.04990	0.4
162.44246	0.2
163.03929	0.7
165.01866	1.7
166.02664	0.3
169.04820	0.3
177.01918	0.3
181.05099	0.5
183.02919	0.8
183.04419	0.4
195.02980	0.3
201.05519	0.8
211.06023	2.6
219.06474	0.3
221.88020	0.2
229.04999	2.9
229.07138	0.6
247.06033	0.7
257.04446	2.6
274.04749	0.8
285.03931	1.3
287.05524	1.8
288.05859	1.0
289.06042	0.8
303.05032	100.0
304.05405	2.4
315.05014	2.9
320.48071	0.3
327.05084	1.0
329.06702	0.3
341.06750	0.7
345.06100	4.3
353.06625	0.6
357.05920	0.4
369.06189	2.4
381.05865	1.1
399.07153	3.1
417.08261	1.9
435.09296	4.6
444.45190	0.2
465.10373	17.2
466.10660	0.4
494.80219	0.2
567.13623	0.7
615.75745	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.4786
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.9
54.93889	0.8
55.01862	1.7
55.05517	12.1
57.03438	14.6
57.05838	0.9
57.07072	2.6
61.02922	1.9
65.03930	2.2
67.05507	54.3
69.07066	15.1
70.81385	1.8
70.81714	0.9
71.04993	2.0
79.05497	40.1
81.03413	1.1
81.07059	66.6
82.07401	1.2
83.04998	5.5
83.08625	10.1
85.02906	2.2
85.06525	3.4
87.87434	0.9
91.05482	20.2
93.07046	52.2
95.04967	4.1
95.07989	1.3
95.08607	26.8
97.02893	1.5
97.06543	7.4
97.10164	2.3
99.08076	2.3
105.07023	11.5
107.08600	26.7
109.06528	1.9
109.10158	9.4
111.08078	3.6
117.07008	5.7
117.43641	0.9
119.08588	7.2
121.10154	17.6
123.08094	1.3
123.11696	4.4
128.62927	1.1
131.08551	10.3
133.10107	6.9
135.11694	11.3
137.09669	1.0
145.10155	3.8
147.11685	4.2
149.13261	24.1
149.14400	1.9
157.10066	1.0
159.11705	9.1
161.13248	2.1
163.14825	1.8
173.13261	3.0
177.12730	5.0
187.14978	1.4
195.13809	9.6
213.14687	1.1
243.21138	2.6
261.22110	9.5
267.15927	1.4
269.17487	84.0
270.17892	1.9
317.24725	1.8
335.25818	61.1
336.26111	2.2
437.34021	1.2
441.92987	1.1
455.34882	1.5
529.38910	100.0
530.39417	4.6
726.44977	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	727.209
Annotation	Helieianeoside A
Peak:m/z	Relative Intensity
52.49401	0.2
53.03954	0.3
57.03453	2.0
61.02937	1.4
68.99809	0.3
69.03439	2.0
69.69242	0.7
69.69651	0.4
71.01343	0.2
71.05001	0.9
72.91043	0.2
73.02508	0.2
73.02928	3.7
79.94872	0.2
81.03405	0.3
85.02445	0.2
85.02920	4.4
91.03981	1.0
96.84398	0.2
97.02912	3.3
99.04417	0.2
109.02899	0.3
111.00809	0.4
115.03961	1.5
121.02900	1.7
127.03944	1.0
129.05545	0.4
133.02885	0.4
137.02376	0.4
145.04985	0.7
147.04448	0.4
153.01851	1.6
158.64076	0.2
165.01898	1.3
183.02902	0.6
185.06021	0.3
213.05495	1.0
231.06561	0.3
241.04991	0.6
258.05209	0.9
259.06018	0.3
269.04831	0.2
287.05545	100.0
288.05881	2.2
303.05115	0.7
329.06586	0.5
431.10168	0.2
433.11383	8.5
449.10785	0.7
500.32898	0.2
596.41553	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.2087
Annotation	Kaempferol 3-xylosyl-(1->3)-rhamnosyl-(1->6)-galactoside
Peak:m/z	Relative Intensity
55.01885	0.5
55.05513	0.3
57.03444	2.3
60.05626	0.2
61.02929	0.5
61.96328	0.2
68.99799	0.3
69.03437	2.9
69.69898	0.8
69.70314	0.4
71.01343	0.5
71.05003	10.6
73.02926	4.0
73.05414	0.2
75.04494	0.5
81.03424	0.5
83.04994	1.4
85.02917	14.8
87.04485	0.5
87.77001	0.2
95.04959	0.4
97.02911	2.4
98.21555	0.3
99.04462	0.7
107.04957	0.3
109.02846	0.3
111.00797	0.6
111.04454	1.2
115.03922	1.9
117.05515	0.4
121.02893	2.1
127.03937	0.5
129.05501	3.3
133.02914	0.4
133.04985	0.6
135.04433	0.3
137.02380	0.4
145.04933	0.5
147.06537	1.3
153.01836	2.2
157.06532	0.3
163.06065	0.2
165.01884	1.4
169.05038	0.3
171.06569	0.4
177.04501	0.2
183.02960	0.6
185.06009	0.3
213.05461	0.9
225.07553	0.6
227.19252	0.2
230.40845	0.2
231.06534	0.5
241.04913	0.8
258.05341	0.7
259.05994	0.3
283.05969	0.2
287.05539	100.0
288.05899	2.5
298.66583	0.3
299.05450	1.2
299.25305	0.2
300.06461	0.2
311.05569	0.3
325.06995	0.6
329.06583	1.9
334.45493	0.3
337.07050	0.5
353.06693	1.3
383.07623	1.9
391.32358	0.2
401.08804	0.7
419.09732	1.8
433.11438	0.4
449.10880	18.1
450.11234	0.4
581.15021	0.3
619.43579	0.2
731.78436	0.3
736.23297	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.479
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.2
55.01874	1.9
55.05274	1.4
55.05519	17.9
56.00216	0.9
56.11897	1.1
57.03198	1.4
57.03442	14.3
57.07066	2.4
59.05003	1.7
61.02935	5.3
65.03937	3.1
67.05510	70.4
69.03424	1.9
69.06731	1.6
69.07075	20.5
69.07429	2.2
71.05007	5.0
79.05499	44.6
81.03414	2.7
81.07063	89.0
83.04978	4.8
83.08625	14.4
85.02918	5.5
85.06552	2.6
91.03957	2.4
91.04906	1.6
91.05486	28.5
93.07053	59.7
95.04961	5.2
95.08617	40.7
97.02899	3.4
97.06533	6.2
97.10165	2.6
98.21548	2.0
99.08105	1.6
105.07049	11.6
107.08602	33.0
109.06529	1.7
109.10167	12.1
111.08094	4.9
117.07027	10.3
119.06190	1.0
119.08564	7.4
121.06496	1.4
121.10159	18.4
123.08055	1.3
123.11693	6.5
131.08560	12.0
133.10139	15.5
135.08037	1.1
135.11699	13.0
139.11191	1.1
145.10092	5.1
147.11676	5.0
149.09598	1.1
149.13264	16.0
151.11240	2.3
159.11720	9.4
159.81491	0.9
161.13269	3.6
163.14836	2.3
173.13263	4.4
175.14761	1.7
177.12775	3.1
187.14806	1.8
195.13873	11.2
201.16422	1.4
213.14769	2.5
243.21144	3.0
245.99074	1.3
261.22113	11.4
267.15897	1.8
269.17499	72.2
270.17828	2.2
276.53226	1.0
317.24744	2.6
335.25830	92.3
336.26160	2.8
437.34357	1.6
461.89746	1.2
529.38928	100.0
530.39069	4.4
649.17847	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.3034
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.8
55.05505	3.1
65.05093	1.3
67.05488	2.5
69.03424	2.4
69.07010	1.4
70.06590	1.4
70.90810	1.2
71.52285	2.0
79.05518	1.8
80.04980	1.5
81.03420	2.1
81.07066	2.3
82.06571	2.2
84.08134	3.5
85.02883	3.9
86.09686	1.6
89.04111	1.2
91.05470	4.7
93.07047	6.9
94.06549	5.7
95.04985	3.1
95.07339	5.0
95.08591	2.5
96.08139	12.0
97.02886	4.6
100.11230	3.0
103.05466	18.6
105.07002	2.5
106.06558	1.5
108.08121	7.0
110.09689	21.9
113.02399	1.8
119.08588	2.7
120.08119	25.2
121.10192	1.3
122.09686	2.2
124.26759	1.3
131.04939	43.4
131.07324	1.8
136.07585	3.5
138.08157	2.2
138.09160	38.1
140.07104	1.8
145.10060	1.3
146.09627	6.0
148.07570	3.4
150.09187	2.6
162.09169	1.2
164.07072	2.2
166.08655	21.7
167.07039	4.7
174.09142	13.2
181.04976	1.2
182.15385	1.8
191.08539	1.3
192.10219	2.0
194.09677	1.5
202.20668	1.4
204.06512	1.5
205.10205	1.8
209.10753	2.4
210.14964	2.3
213.10149	3.0
220.09727	10.8
222.07738	2.5
223.08696	2.3
225.06458	3.1
226.07376	1.7
229.09633	1.7
233.09654	1.7
237.06577	1.5
237.10197	15.7
239.08017	3.9
239.11829	2.1
241.09744	1.9
243.07651	1.5
250.07434	2.3
251.08118	8.4
252.08904	4.6
253.09702	5.2
254.10451	1.7
255.11255	1.9
257.09186	1.2
259.10748	1.7
265.09741	24.0
266.06747	1.4
266.10480	1.9
267.07620	4.7
267.11218	9.5
269.09326	2.1
269.12729	1.3
277.09869	1.6
279.07635	4.1
280.08524	3.4
281.09201	4.6
283.10687	5.1
285.08774	9.7
285.11469	1.8
287.10202	2.4
293.09186	8.0
295.07553	1.3
295.10754	22.4
297.08807	2.6
297.12360	1.8
298.09570	4.0
307.07922	1.9
309.08694	2.6
311.10233	25.7
313.11682	6.2
317.11447	6.3
321.08716	10.4
323.10257	2.7
325.11792	2.5
326.09064	3.2
327.89764	1.5
329.11423	2.6
339.09753	65.9
340.10037	2.3
341.11365	21.1
343.13181	3.1
350.90463	1.5
353.11340	2.4
357.10834	23.9
369.10825	29.4
370.11392	3.1
371.12405	100.0
372.12863	3.5
401.13470	30.3
402.13773	1.6
403.14648	1.5
430.17538	2.8
441.26843	2.3
442.17752	7.1
458.17059	7.9
460.14859	8.3
476.18143	4.7
478.15656	2.4
492.17654	5.4
496.17206	20.0
504.17883	16.9
506.19049	2.5
508.20389	5.2
518.19452	2.3
522.18719	11.7
528.19830	13.0
532.00848	1.6
536.20288	55.6
537.20764	1.8
564.69128	1.5
568.14471	2.0
568.22943	32.0
611.25153	2.0
625.22980	4.7
629.26117	1.5
633.25580	2.1
639.24432	7.0
643.24512	5.7
657.25006	4.3
661.25781	5.9
675.26843	2.3
725.38184	2.1
725.51422	2.4
737.91321	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.445
Annotation	Trungapeptin B
Peak:m/z	Relative Intensity
55.05516	1.6
57.03431	1.9
57.07075	3.0
57.90886	0.9
59.05012	2.1
61.02927	4.2
67.05494	3.5
69.03435	2.4
69.07073	2.2
71.08630	1.8
71.20943	1.0
71.52837	1.0
73.02927	2.6
79.05478	1.4
81.07066	5.5
85.02906	3.5
88.21037	1.0
89.06062	1.1
91.03951	2.0
91.05485	1.9
93.07027	1.3
95.08629	3.1
97.02898	3.6
98.21288	1.0
101.02391	2.3
105.07047	1.3
108.80345	0.8
109.10152	2.1
119.08604	1.2
135.11734	1.0
147.11728	4.5
165.12827	1.9
185.04260	1.1
203.05246	1.1
223.66794	1.0
243.08449	1.8
360.77609	1.0
469.20471	7.2
482.06305	1.0
497.31186	4.0
599.24817	1.1
725.44495	100.0
726.45160	6.2
727.78406	1.1
751.53314	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	1.7
57.03445	5.7
59.04998	1.1
61.02919	0.9
67.05505	0.6
69.03441	3.5
70.06597	0.9
71.05002	30.2
72.08147	0.7
73.02921	4.6
75.04481	0.8
79.05453	0.6
81.03422	0.8
83.04988	6.4
84.08115	0.9
85.02914	35.6
87.04446	0.5
95.04956	1.0
97.02905	0.6
97.06541	0.7
98.21517	1.3
99.04455	2.2
103.05445	1.4
105.03396	0.7
105.07009	0.6
105.28709	0.6
109.02895	0.9
111.00912	0.6
111.04450	5.0
113.05990	1.0
117.05524	2.6
119.08649	0.5
121.02871	3.9
123.04464	0.6
127.03926	1.7
129.05499	11.3
129.06970	0.5
131.04912	3.9
137.02362	1.1
145.05013	0.6
147.04449	1.1
147.06538	2.7
149.05853	0.6
153.01851	2.4
153.05478	2.2
157.06512	0.6
163.06073	3.1
163.07256	0.6
165.01868	0.9
166.90465	0.5
167.07100	1.4
171.06509	0.6
183.02930	0.6
201.07669	0.8
213.05519	1.0
221.07954	0.6
229.49921	0.6
239.09135	0.7
241.04851	0.8
258.05402	0.7
283.06082	0.6
287.05527	100.0
288.05856	2.0
299.05487	3.3
311.05621	1.5
329.06598	9.1
329.10419	0.7
351.08716	0.7
353.06604	2.3
369.11014	0.6
379.08148	2.1
387.14539	0.6
397.09137	5.0
415.10364	4.2
433.11377	12.5
579.17047	1.8
582.67065	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.303
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.0
55.01882	1.8
55.05499	3.7
57.03417	1.9
63.73418	1.6
64.39440	1.4
67.05479	2.5
69.03447	1.7
71.02893	3.1
74.54727	1.2
78.03741	1.2
79.05479	4.9
81.03407	1.6
81.07068	2.0
82.06569	1.7
83.08620	2.7
84.08143	2.1
85.02890	5.5
85.06539	2.0
91.05472	5.2
93.07030	5.1
94.06564	5.0
95.04948	2.2
95.07333	6.3
95.07881	1.3
95.08561	1.9
96.04528	1.3
96.08135	10.0
97.02884	7.1
100.11227	2.7
103.05471	23.0
105.07037	1.9
106.06552	1.3
107.07393	1.5
108.08118	8.8
109.63885	1.4
110.09689	22.5
113.02367	1.5
120.08118	25.0
122.09709	2.6
124.07582	2.1
128.10710	1.8
131.04941	45.9
131.07320	4.6
132.05289	1.4
133.00681	1.4
136.07584	2.7
137.06024	1.4
138.09155	34.8
140.07085	2.4
141.01828	2.5
144.08000	1.5
146.09621	6.1
147.04344	2.2
148.07527	2.5
150.09132	2.2
161.06004	1.8
164.07057	3.1
166.08656	21.8
167.07047	5.2
174.09181	11.3
182.15410	4.2
192.10162	3.5
205.10071	2.4
209.10681	2.5
210.14952	5.6
213.10275	2.9
220.09689	12.5
222.07840	4.4
223.08507	2.3
225.06567	3.2
225.10187	3.4
228.06747	1.7
233.09550	2.0
236.09279	2.5
237.10225	16.2
239.08112	4.8
239.11836	2.3
241.09628	2.6
243.07744	2.9
251.08281	8.9
252.09012	5.5
253.09677	5.7
255.11299	2.6
259.10764	2.0
264.08954	2.1
265.09726	22.7
266.10452	2.4
267.07730	4.4
267.11234	7.4
269.09232	3.7
278.08273	1.7
279.07632	5.2
280.08301	3.4
281.09268	3.4
282.09940	2.0
283.10770	4.0
285.08698	10.7
287.09991	1.7
293.09335	9.4
294.10110	2.0
295.10806	19.8
296.08026	1.8
297.08810	3.5
297.12228	1.7
298.09424	2.2
311.10275	27.7
313.11792	4.3
317.11261	6.0
321.08737	9.6
325.11838	2.6
329.11310	3.4
333.14505	3.0
339.09775	68.3
340.09985	3.2
341.11365	17.8
342.11755	1.8
343.12793	3.4
351.09662	1.9
353.11172	2.1
357.10861	24.6
369.10825	29.8
369.15109	3.2
371.12381	100.0
372.12891	4.0
401.08423	1.7
401.13477	25.7
414.18298	3.8
416.15912	2.1
430.17804	3.2
441.26929	1.5
442.17447	5.7
458.16937	5.1
460.14346	4.2
460.19266	4.8
476.18188	5.2
478.15826	2.1
492.17496	4.9
496.17206	20.7
504.17691	17.0
505.18149	1.6
506.19083	2.0
508.20847	2.9
522.18848	12.7
528.19855	14.0
536.20319	57.2
537.20862	3.2
540.23840	2.1
568.22906	28.0
625.22595	6.1
639.24237	6.6
643.24579	5.1
647.26917	2.1
657.25574	4.2
661.25708	5.0
679.50415	1.6
725.51166	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	725.2291
Annotation	Kaempferol 3-rhamnosyl-(1->4)-rhamnoside-7-rhamnoside
Peak:m/z	Relative Intensity
55.05503	1.7
57.03445	5.7
59.04998	1.1
61.02919	0.9
67.05505	0.6
69.03441	3.5
70.06597	0.9
71.05002	30.2
72.08147	0.7
73.02921	4.6
75.04481	0.8
79.05453	0.6
81.03422	0.8
83.04988	6.4
84.08115	0.9
85.02914	35.6
87.04446	0.5
95.04956	1.0
97.02905	0.6
97.06541	0.7
98.21517	1.3
99.04455	2.2
103.05445	1.4
105.03396	0.7
105.07009	0.6
105.28709	0.6
109.02895	0.9
111.00912	0.6
111.04450	5.0
113.05990	1.0
117.05524	2.6
119.08649	0.5
121.02871	3.9
123.04464	0.6
127.03926	1.7
129.05499	11.3
129.06970	0.5
131.04912	3.9
137.02362	1.1
145.05013	0.6
147.04449	1.1
147.06538	2.7
149.05853	0.6
153.01851	2.4
153.05478	2.2
157.06512	0.6
163.06073	3.1
163.07256	0.6
165.01868	0.9
166.90465	0.5
167.07100	1.4
171.06509	0.6
183.02930	0.6
201.07669	0.8
213.05519	1.0
221.07954	0.6
229.49921	0.6
239.09135	0.7
241.04851	0.8
258.05402	0.7
283.06082	0.6
287.05527	100.0
288.05856	2.0
299.05487	3.3
311.05621	1.5
329.06598	9.1
329.10419	0.7
351.08716	0.7
353.06604	2.3
369.11014	0.6
379.08148	2.1
387.14539	0.6
397.09137	5.0
415.10364	4.2
433.11377	12.5
579.17047	1.8
582.67065	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.2067
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83016	0.2
53.03941	0.7
55.01870	0.5
55.05502	0.9
57.03428	1.3
61.02930	2.9
63.00675	0.2
65.03939	0.5
67.05505	1.5
68.99812	0.6
69.03439	1.8
69.07071	0.4
70.06602	0.3
71.50371	0.3
71.50761	0.2
72.08134	0.3
73.02914	1.1
77.03904	0.6
79.05502	1.1
81.03421	4.0
81.07081	1.3
82.03773	0.4
83.04984	1.4
83.08627	0.9
84.08138	0.3
85.02905	5.7
86.09749	0.3
91.03949	1.4
91.05482	2.3
93.07043	1.0
95.01318	0.5
95.04967	2.1
95.08610	0.9
97.02896	3.1
97.06542	0.3
97.10191	0.3
99.00803	0.5
103.03966	0.5
103.05470	14.7
105.03369	0.4
105.07039	0.9
107.04959	1.0
107.08585	0.5
109.02842	0.4
109.06493	0.4
109.10170	0.4
111.00796	0.7
111.04458	1.0
111.08092	0.6
113.02364	0.9
119.08588	0.7
121.02869	2.4
121.06538	0.4
121.10126	0.4
122.03339	0.2
123.04427	0.3
127.03928	0.5
129.05481	0.4
129.06993	0.6
131.04932	62.9
131.08591	0.7
132.05260	0.6
133.02812	0.8
133.06488	0.4
133.10136	0.5
135.04330	0.3
137.02347	0.7
141.01860	0.7
143.08524	0.3
145.04965	0.4
145.06488	0.4
145.10104	0.3
147.04468	0.6
147.08086	0.3
147.11702	0.5
148.62024	0.2
149.05992	0.5
149.09641	0.4
153.01836	3.5
157.06532	0.6
157.10112	0.6
163.03789	0.3
165.01884	1.6
166.07849	0.4
171.04344	0.3
175.11209	0.7
181.10144	0.6
183.02864	0.8
185.05948	0.5
189.05412	0.2
193.12245	1.5
194.12341	0.2
205.10190	0.9
211.13278	1.0
213.05479	1.2
215.08614	1.1
231.06467	0.6
233.09583	0.8
241.04950	0.6
258.05246	1.0
259.06348	0.4
259.09653	4.5
261.09210	0.5
267.15912	4.6
268.16342	1.2
277.10709	9.2
285.17001	0.9
287.05505	100.0
288.05786	1.9
303.04980	0.2
367.22766	0.5
385.24020	0.6
433.25430	0.5
434.26089	0.4
459.27365	3.2
460.27621	1.7
477.28326	1.6
478.28970	0.8
563.15002	0.5
725.35175	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.4115
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.4
55.01865	2.1
55.05516	10.8
57.03435	9.7
65.03954	1.5
67.05505	17.4
69.03426	5.7
69.07070	5.3
70.96240	2.8
71.04996	3.2
79.05499	18.5
81.03423	79.2
81.07059	17.9
83.04990	10.4
83.08624	21.5
85.02908	13.2
91.05485	22.4
93.07050	11.2
95.04975	23.0
95.08636	6.5
97.02908	4.6
97.06544	2.5
97.10167	3.7
103.05446	5.9
105.04509	1.7
105.07046	16.1
107.04961	6.6
107.08613	6.3
109.06520	5.9
109.10170	3.0
111.04433	2.3
111.08112	8.3
113.02475	1.7
117.07026	3.0
119.04905	1.7
119.08579	16.0
121.06490	3.5
121.10136	7.1
123.08099	2.2
124.94135	1.5
125.09650	3.8
129.07018	13.5
131.04944	24.3
131.08575	10.6
133.06523	3.5
133.10133	8.3
135.08174	1.4
137.06041	1.8
137.09650	1.7
142.07814	3.2
145.06500	4.5
147.08057	4.0
147.11655	8.8
148.11974	1.2
149.09624	5.7
155.08604	1.5
157.10114	11.9
159.11711	1.4
165.12793	3.4
167.08516	1.3
175.11200	11.9
183.36124	1.4
193.12254	30.1
211.13312	15.0
215.08556	1.9
233.15431	1.6
249.14857	2.9
255.13789	3.3
259.09546	2.4
267.15933	100.0
268.16272	3.0
273.14838	3.6
277.10736	2.7
285.16931	16.2
287.05542	9.2
309.17065	1.5
341.21188	1.5
349.21622	2.8
367.22601	9.7
385.23697	10.9
403.24771	3.4
433.25897	15.4
441.26413	7.5
459.27420	63.8
460.27701	2.5
477.28479	36.9
517.50250	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.4635
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	7.1
55.01849	4.1
55.05517	19.9
57.03445	18.9
57.07072	4.3
58.40294	3.9
59.04995	19.7
61.15184	3.7
67.04926	3.9
67.05510	76.5
69.07067	14.3
70.15987	7.3
70.16388	8.5
71.27131	3.6
79.05489	35.7
79.15464	3.8
80.96826	4.2
81.03425	77.5
81.07063	62.3
83.08629	16.1
85.91885	4.0
91.05493	39.3
93.07051	58.6
95.04970	26.0
95.08612	41.8
97.02877	7.5
97.06514	5.2
97.10138	6.2
104.20057	4.4
105.07030	25.3
107.04903	4.2
107.08613	33.1
109.06559	4.4
109.10176	16.9
109.87803	4.3
111.08088	11.0
114.02509	3.6
117.07044	7.5
117.09230	3.8
119.08595	23.0
121.06399	3.9
121.10149	29.0
123.11723	7.3
129.07021	10.7
131.08582	16.5
133.10158	14.9
133.74229	4.0
135.11696	16.0
145.10114	12.2
147.11697	10.0
149.13293	8.9
157.10129	18.6
161.13254	8.1
163.14778	4.1
173.13280	5.2
175.11157	4.9
187.14861	4.5
193.12286	22.5
200.85944	4.0
217.91455	4.0
220.61012	4.0
227.12772	5.2
243.21106	5.6
249.14751	4.7
261.22156	16.4
267.15927	100.0
301.25058	6.4
335.25818	92.4
527.37299	34.7
545.38153	14.6
584.59155	4.0
595.47192	11.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.4897
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	2.9
55.05510	11.5
57.03441	13.2
57.06840	1.7
57.07078	22.6
59.04984	2.4
61.02926	3.2
65.03965	1.4
67.05510	22.0
69.03436	2.9
69.07069	11.1
71.04980	3.9
71.08636	17.6
79.05489	15.5
81.03420	37.9
81.07055	25.2
83.04987	11.9
83.08622	20.5
85.02908	17.4
85.10204	9.3
89.06037	2.3
91.05491	19.8
93.07043	13.0
95.04977	17.9
95.08617	18.8
97.02889	3.0
97.06557	2.6
97.10158	5.7
105.07025	12.6
107.04942	4.7
107.08597	4.7
109.06518	3.9
109.10162	7.8
111.08058	5.6
113.06059	2.0
119.08578	13.7
121.10152	5.6
123.08027	1.6
123.11710	2.6
129.06993	5.3
131.08559	8.7
133.06451	1.7
133.10133	9.0
147.08102	2.3
147.11667	8.0
149.09648	3.3
157.10135	10.2
165.12770	1.9
175.11221	9.8
184.07335	1.9
193.12250	29.9
211.13307	52.9
244.91963	1.3
249.14780	1.9
267.15921	15.6
285.16989	65.3
313.27374	76.9
314.27866	2.4
465.35846	2.0
505.38950	14.9
523.39978	100.0
524.40137	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.469
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62038	2.5
53.03957	6.3
55.05523	20.2
57.03452	6.1
57.07092	2.8
59.05000	4.1
63.70976	2.3
65.03944	3.6
66.75770	2.6
67.05519	73.3
69.03436	9.1
69.07094	15.6
71.05000	18.9
79.05513	38.8
81.03437	20.7
81.07074	100.0
83.04996	18.8
83.08636	10.6
85.06562	11.2
87.04471	4.1
91.05494	32.7
93.07062	41.1
95.08620	34.0
97.02946	4.0
97.06544	5.0
98.21507	7.8
105.07048	28.7
107.08611	25.0
109.02850	3.1
109.06564	4.4
109.10186	15.9
111.04437	5.5
111.08109	3.6
114.65578	2.9
117.07065	7.5
119.08627	11.3
121.10218	18.6
123.11739	11.9
129.05504	8.2
129.07086	3.0
131.08594	14.7
133.10168	24.0
135.11716	9.5
145.10161	7.6
147.11740	13.2
149.13286	8.2
151.11203	8.4
159.11710	13.9
161.13245	4.1
171.11702	3.4
173.04524	5.3
173.13312	3.9
177.12729	3.6
179.14339	3.1
181.10275	2.7
183.13876	3.1
184.07463	3.1
187.13336	10.3
201.14935	5.0
216.89912	2.7
225.14944	4.7
235.10599	2.4
242.02640	3.3
242.05075	3.3
243.15991	5.8
252.08702	2.7
266.55463	2.6
269.17560	7.5
327.71280	3.2
335.25909	21.8
369.24200	3.4
387.25552	6.5
394.14301	2.6
439.69125	2.6
445.24411	3.2
503.37366	36.0
505.39084	9.3
517.38818	4.1
529.38940	9.3
552.50153	3.2
561.41711	36.4
673.42963	7.7
705.45605	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	718.5466
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.9
55.01878	1.9
55.05513	11.4
56.05035	4.6
57.07062	5.5
58.06606	2.1
59.04995	2.0
59.47062	1.7
60.04530	71.1
61.28809	1.7
67.05508	19.3
69.07072	19.6
70.06613	2.8
71.08625	6.0
71.52372	2.0
71.52756	2.1
72.04507	4.5
74.06088	1.7
79.05495	11.8
81.03422	3.7
81.07070	22.8
82.06580	3.1
83.04958	2.1
83.08617	12.0
85.02860	1.6
85.74774	1.6
86.06071	3.8
86.09681	1.8
91.05502	9.1
93.07038	12.9
94.06563	3.2
95.04968	2.4
95.07397	2.3
95.08613	21.4
96.08132	3.6
97.06524	2.3
97.10170	5.6
98.06049	10.5
105.07026	6.2
107.08591	9.0
108.08094	2.9
109.10159	9.0
111.08115	2.0
112.07623	2.6
119.08567	6.2
121.10156	5.2
133.10130	5.7
135.11693	3.4
137.06027	2.0
137.09583	2.0
147.99152	1.8
167.62909	1.6
175.14806	1.8
184.07344	4.4
207.35994	1.7
215.65579	1.7
245.22623	2.6
248.23764	9.1
258.24356	3.7
262.25342	18.3
263.23553	2.7
266.24844	5.5
272.26132	2.1
277.17902	2.0
280.26410	19.1
284.25751	3.2
292.04840	1.7
298.27417	7.1
304.26343	54.3
306.27988	2.9
502.45917	4.5
520.47321	19.1
538.48309	100.0
539.48578	5.9
556.49304	28.7
575.50037	2.3
589.43921	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	719.3449
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07076	1.2
59.05007	5.3
67.05509	1.5
70.23801	0.7
71.52026	1.0
81.07081	1.9
87.63683	0.7
89.06019	1.0
91.05472	0.7
95.08596	1.8
151.77928	0.8
160.43512	0.7
166.06763	0.7
175.13281	0.8
219.70898	0.7
221.94714	1.0
242.50537	0.9
387.16486	0.7
389.18515	1.2
400.17154	0.9
401.17688	2.2
402.19098	0.9
403.19461	1.4
405.20258	1.0
415.19385	5.0
416.20187	4.2
417.20840	2.5
419.22275	1.7
429.15948	1.1
429.20728	3.0
430.22046	5.0
431.17960	4.6
433.23923	3.0
443.18271	1.5
443.23431	1.0
444.19418	3.0
444.24210	1.2
445.19928	4.6
445.24417	3.3
446.21011	3.3
447.21652	1.7
458.21039	2.2
459.21689	40.5
460.22485	11.2
461.23718	4.7
471.21646	0.9
472.22379	1.8
473.23517	47.6
474.23764	2.5
487.25073	21.4
488.25580	3.0
492.24908	2.7
503.24426	2.8
504.19037	0.8
505.21991	4.1
515.24524	27.3
516.24695	1.2
519.23877	2.3
533.25861	1.0
543.23511	2.4
547.27020	9.4
552.81061	1.1
575.26611	100.0
576.27002	5.3
593.27222	1.1
701.33221	7.1
701.45813	1.3
719.34595	11.4
719.46649	0.9
740.64893	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.4891
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49338	1.5
54.12096	1.5
55.05511	8.4
57.03438	10.8
57.06844	1.7
57.07080	24.9
59.05009	13.6
61.02924	4.0
67.05511	20.9
69.07076	16.0
69.21950	1.6
69.28861	9.4
69.29285	5.8
71.05008	1.8
71.08636	21.6
72.34058	1.6
79.05498	11.9
81.07060	75.1
83.04965	2.8
83.08614	13.8
85.02907	3.6
85.06525	4.4
85.10194	10.3
89.06010	1.8
91.05488	19.5
93.07042	7.9
95.08614	29.2
97.02881	2.1
97.06522	4.6
97.10154	3.6
105.07026	25.8
107.08611	9.0
109.06497	3.4
109.10159	7.5
111.08074	2.0
117.09118	2.5
119.08585	17.8
121.10156	16.8
123.08033	4.1
123.11721	24.5
131.08546	1.6
133.10162	2.7
137.13210	2.4
141.09062	2.3
147.11700	49.7
165.12746	21.9
173.15469	1.7
183.13823	2.9
229.14250	4.7
230.10446	1.7
239.23563	3.4
267.15930	78.3
277.67728	1.5
285.16983	88.7
313.27380	100.0
314.27570	2.9
331.28534	1.8
459.79239	2.0
499.14215	1.6
523.40015	84.9
524.40088	4.0
623.27777	4.8
666.91473	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.5465
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.5
55.01861	1.1
55.05517	10.7
56.05029	4.4
57.03440	1.4
57.07072	4.6
59.04994	3.5
60.03018	0.9
60.04532	73.2
67.05181	1.3
67.05508	17.7
69.07075	12.3
70.06595	2.4
70.11929	4.5
71.08624	3.1
72.04507	4.4
74.06068	2.4
77.81982	1.1
79.05492	10.3
80.05024	1.0
81.03421	4.8
81.06593	1.2
81.07062	18.0
82.06573	3.1
83.04964	1.1
83.08628	8.4
84.08110	1.3
85.02888	1.3
85.10182	1.5
86.06071	3.3
90.05552	3.3
91.05495	10.3
93.07053	11.9
94.06575	7.2
95.05000	1.7
95.07355	1.9
95.08618	14.2
96.08118	2.1
97.06505	1.4
97.10179	4.0
98.06041	2.6
105.07040	7.1
107.08598	5.7
109.06501	1.6
109.10188	7.0
111.08072	1.3
111.11749	1.3
119.08596	5.3
121.10136	3.7
122.09667	2.1
123.08132	1.7
123.11701	2.3
126.83678	0.9
133.10152	5.8
135.11688	3.1
147.11664	2.1
149.13277	1.4
151.14838	1.3
153.17093	0.9
161.13286	1.6
177.87587	1.1
245.22575	3.8
248.23810	7.0
249.22072	1.6
250.25444	1.9
252.23289	1.2
258.24298	5.4
262.25323	22.8
263.23718	3.4
266.24725	7.4
268.26428	1.4
280.26398	18.4
284.25919	2.9
298.27322	8.2
300.25345	3.9
304.26297	3.9
314.26978	1.4
316.28525	1.2
330.26492	1.3
487.42377	1.0
502.46118	3.6
520.47351	14.6
538.48364	100.0
539.48828	4.7
556.41248	2.0
556.49420	28.1
557.49780	1.6
618.82239	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.2711
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	1.1
52.85878	0.6
53.03939	3.1
53.57107	0.7
57.03408	0.9
67.05500	0.8
69.03410	1.2
69.40884	5.6
70.06577	1.1
71.04997	0.7
78.56244	0.7
79.05491	1.4
81.03412	0.7
81.07054	1.7
83.04987	0.9
85.02911	1.0
86.09740	0.7
91.05479	1.5
93.05772	0.8
93.66819	0.8
95.04978	5.3
95.08626	1.0
97.02888	1.3
103.05458	1.3
105.03403	39.9
105.04515	2.1
105.07032	2.4
107.04906	1.1
107.08610	0.9
107.54771	0.6
108.04449	0.7
109.10175	0.8
115.05491	0.9
117.05774	8.8
117.07011	1.6
119.04949	0.7
119.08607	1.1
121.06487	1.2
124.66109	0.8
125.05909	0.8
129.06960	0.8
130.06514	1.6
131.04892	2.0
131.07315	1.9
131.08574	1.4
132.04419	1.3
132.08109	29.8
133.06523	1.0
133.10178	1.0
135.08003	1.3
136.07538	0.9
137.05927	1.9
143.08531	1.1
145.05205	3.8
145.06483	1.9
147.08038	0.8
147.11725	0.9
149.06006	1.5
157.10118	1.0
160.07599	55.1
161.09555	0.8
165.09114	1.3
165.72939	0.7
167.07074	1.6
178.08653	64.3
185.09648	1.3
187.07620	0.9
188.07109	2.2
189.09195	1.1
197.38724	0.7
201.09146	1.7
206.08145	100.0
207.08543	1.0
224.09198	9.7
231.10204	1.5
259.09509	1.3
262.10770	3.9
277.10583	0.8
280.11823	2.7
287.05405	0.7
304.55011	0.7
310.10760	2.0
315.73682	0.7
347.30460	0.6
398.64731	0.7
560.20844	1.6
578.22162	1.5
640.23505	1.6
664.23572	1.4
682.25073	7.7
700.26099	38.3
701.26459	1.5
718.26831	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	718.2712
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00000	0.6
51.02378	1.5
51.07881	0.6
51.55502	0.6
53.03950	4.7
53.96760	0.6
54.73433	0.7
55.01852	0.6
67.05504	1.1
69.03424	1.0
70.06592	1.2
77.03921	0.9
79.05482	0.9
81.03424	1.3
81.07044	1.0
84.08118	1.0
85.02909	1.3
91.05489	1.7
93.07040	1.0
95.04962	4.2
95.08572	1.3
97.02879	1.1
97.06526	0.9
105.03403	42.3
105.04523	2.9
105.07016	2.1
107.04979	1.1
107.08607	1.5
109.06532	1.1
115.05455	1.3
117.05769	8.7
117.07025	1.3
119.08591	1.0
121.06519	1.7
127.32999	0.6
128.06250	1.1
129.06975	1.1
130.06519	2.2
131.04942	1.4
131.07314	2.6
131.08450	0.7
132.04514	1.3
132.08101	31.6
133.10179	0.9
135.08064	0.8
136.07619	1.2
142.07730	0.7
143.08481	0.7
145.05214	4.4
145.06319	1.1
145.10152	1.0
147.08008	1.1
147.11665	0.7
157.06531	0.7
159.08086	0.9
160.07599	58.3
161.09579	1.1
163.07571	1.1
177.09058	1.1
178.08647	65.3
185.09621	1.1
187.07498	0.9
188.07088	2.2
189.09174	0.9
206.08144	100.0
207.08502	1.6
219.10263	1.3
224.09201	10.2
229.08684	0.8
262.10706	3.5
277.10721	1.2
280.11786	3.0
310.10751	2.1
314.92276	0.8
500.19171	1.0
530.20386	0.7
560.20959	1.0
578.22491	2.7
640.23560	2.7
658.24115	1.0
664.23462	2.0
682.25177	8.3
700.26038	40.4
701.26038	2.5
718.26746	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	717.4189
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.7
55.05508	1.5
57.03435	2.3
58.70826	0.4
61.02925	5.0
67.05505	4.2
69.03421	3.4
69.07070	1.5
71.01342	0.7
71.05010	0.6
71.20276	0.4
71.51949	0.6
73.02927	4.1
74.92146	0.4
79.05496	4.6
81.03416	1.2
81.07067	4.7
83.04979	0.7
83.08639	0.6
85.02909	5.9
87.04469	0.6
91.03981	3.0
91.05480	2.4
93.07053	4.1
94.16644	0.5
95.04985	0.5
95.08605	3.6
97.02895	4.9
97.06487	0.6
99.04491	0.8
101.02389	1.6
105.07059	1.3
107.08599	2.4
109.02903	1.2
109.10172	1.3
115.03959	0.5
119.08608	1.0
121.10115	0.9
127.03947	1.1
130.95494	0.5
131.08624	0.6
133.10118	0.5
135.11719	2.5
145.10141	0.8
153.12784	0.8
166.38451	0.4
177.31346	0.4
180.86453	0.5
185.04144	0.7
209.92833	0.5
221.11613	1.3
221.69626	0.5
243.08463	1.9
256.51318	0.5
335.25592	0.7
439.19406	4.2
476.02844	0.5
503.14554	0.5
519.29407	8.5
537.50452	0.7
717.41852	100.0
718.42206	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	717.2372
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.1
55.05502	1.0
67.05506	2.3
69.03429	4.3
70.50092	1.0
70.50450	2.5
73.02908	0.8
79.05493	1.0
81.03422	2.2
81.07078	2.2
83.04987	1.6
85.02913	3.3
91.05476	1.4
93.07084	1.0
95.04976	2.9
95.08640	2.0
97.02901	2.2
99.04467	1.4
103.05496	1.2
105.03397	6.2
105.07011	3.9
107.08603	1.8
109.02891	1.2
109.06515	1.4
119.08627	2.7
121.06526	1.9
121.10144	0.9
123.08098	2.0
125.13272	0.7
127.03922	2.5
129.06978	1.1
131.04941	2.2
131.08589	2.5
133.10176	2.2
135.08067	1.6
137.09709	1.5
143.08572	1.6
145.10141	1.9
147.08057	0.9
149.09700	1.0
159.02855	0.9
159.08127	1.7
159.11723	1.1
161.09607	1.2
173.13327	1.5
191.37987	0.8
198.10443	0.9
201.12759	1.0
219.13841	1.9
221.88048	1.0
227.05647	0.8
229.12326	1.8
347.14703	5.3
383.99054	0.8
469.18384	8.3
497.17767	4.4
591.28766	0.9
631.23755	9.0
673.24774	38.7
674.24426	1.5
717.23706	100.0
718.24121	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	716.5681
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02390	0.7
53.03951	1.1
55.05272	0.7
55.05520	10.5
56.05051	3.2
57.03465	0.7
57.07089	6.2
59.04998	1.8
60.04535	24.0
65.03938	0.8
67.05516	19.7
69.07078	14.2
69.86371	2.4
70.06604	3.6
71.08638	2.9
75.54104	0.6
79.05508	15.6
81.07070	19.8
82.06599	1.0
83.08634	10.2
84.08154	0.6
85.10176	1.0
86.06078	0.9
88.29214	0.5
89.06044	1.4
91.05500	2.5
93.07059	16.3
95.08622	14.9
96.08134	3.2
97.06574	1.2
97.10181	6.5
100.07632	0.9
105.04510	0.6
107.08619	8.6
107.42709	0.5
109.10167	6.4
110.09708	0.8
111.08064	0.7
111.11736	1.7
113.89337	0.5
114.09208	1.0
121.10158	11.9
123.11729	2.3
125.09731	0.8
135.11726	7.0
137.13272	0.9
149.13292	2.5
156.63098	0.5
163.14848	0.8
182.19135	0.6
183.11903	0.6
247.24304	2.5
252.27020	1.0
264.26898	12.1
266.24805	0.7
272.25861	6.8
277.36774	0.5
282.27957	16.5
300.29065	1.5
305.26740	0.6
306.27847	0.7
335.10229	0.5
438.32916	0.6
473.62042	0.6
488.48660	0.9
500.27985	0.7
518.49316	5.6
536.50482	100.0
537.50909	4.3
554.51593	22.7
555.51642	0.9
572.32458	0.6
575.50171	1.0
670.25690	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.2978
Annotation	Neobeguin
Peak:m/z	Relative Intensity
59.05005	3.0
61.36756	1.2
67.05526	2.0
69.30785	1.7
69.31192	9.3
81.07056	1.7
93.07071	2.0
94.06606	1.4
95.08616	1.5
95.74612	1.3
98.20729	2.6
105.78651	1.2
124.99847	1.1
134.31123	1.3
134.38406	1.2
195.02922	1.2
239.12209	1.2
262.25296	1.4
304.14792	1.3
409.20328	3.3
421.20258	2.1
437.19931	4.0
449.19791	2.5
451.21426	2.3
461.19623	1.8
475.17270	1.5
477.19125	2.8
489.19769	1.7
499.17480	1.6
499.56940	1.4
505.18619	1.9
537.24768	3.5
563.22913	1.8
564.24194	1.9
565.24561	3.5
593.24274	3.2
597.27356	2.0
609.23560	2.0
623.25366	1.5
641.26050	1.6
651.24628	2.1
655.27515	2.4
683.27179	48.1
684.27557	4.8
687.30511	1.8
715.29791	100.0
716.29675	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	716.5678
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	1.0
55.05272	0.7
55.05519	8.6
56.05033	2.7
57.07081	3.5
58.52441	0.5
59.05003	1.8
60.04535	19.6
65.03944	0.7
67.05180	1.1
67.05515	16.1
68.31784	0.6
69.07076	12.5
70.06595	2.9
70.10871	1.4
70.11260	1.2
71.04987	0.8
71.08640	2.7
79.05503	14.3
81.07071	16.6
81.07537	1.3
81.28553	0.6
82.06601	1.7
83.08626	8.5
84.08143	0.7
85.10217	1.2
89.06041	0.7
91.05499	3.2
93.07057	13.5
95.08617	14.3
96.08143	1.6
96.24292	0.6
97.06533	1.5
97.10185	4.7
100.07626	1.9
105.07016	0.6
107.08614	9.0
109.10179	5.5
111.11729	1.2
114.09180	0.7
121.10158	11.6
123.11733	1.6
124.11253	0.9
125.09698	0.8
126.02707	0.6
135.11714	6.7
137.13203	0.6
145.51939	0.8
149.13312	2.0
192.74342	0.6
205.05904	0.5
247.24249	1.8
252.26964	0.9
262.25458	0.6
263.25699	1.0
264.26874	10.9
266.24786	0.9
272.25894	6.1
282.27969	13.5
300.29111	1.7
306.28003	1.4
488.48242	1.1
518.49182	4.5
536.50458	100.0
537.50665	4.1
554.51495	23.0
555.51953	1.2
575.50348	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.2978
Annotation	Unknow
Peak:m/z	Relative Intensity
58.15534	1.5
67.05513	3.2
69.07071	2.3
69.18497	4.4
69.18902	11.5
79.05520	2.6
81.07072	2.3
93.07077	3.0
95.08641	2.2
98.21551	2.6
119.90661	1.4
134.30119	1.5
160.09845	1.5
167.73195	1.6
237.10474	1.7
291.14597	1.6
302.06223	1.6
303.14893	1.7
304.14581	2.0
304.26239	1.7
351.85815	1.8
409.20517	2.7
417.17422	1.8
419.19131	1.8
422.21082	1.8
423.22366	1.9
431.19455	2.3
437.20068	2.9
449.20035	2.5
461.19684	3.5
517.18323	2.0
521.21442	2.8
537.25311	2.9
539.23309	2.0
554.25067	2.2
563.22321	3.4
565.24036	2.7
591.22302	3.1
597.26947	2.0
613.26721	2.2
625.26410	2.9
630.19153	1.9
633.23535	4.4
637.26074	2.7
641.26587	2.8
655.27679	1.9
665.26093	50.2
666.27118	2.1
683.27197	26.8
684.27509	3.1
687.30499	3.8
699.79987	1.8
715.29730	100.0
716.30206	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	714.5514
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88394	0.6
53.03933	1.7
55.05511	5.1
56.05042	4.0
57.07080	3.0
58.06591	0.8
59.77257	0.5
60.04517	2.6
63.15654	0.6
65.03938	0.8
65.51038	0.6
67.05187	0.8
67.05511	11.5
68.05017	0.9
69.03436	0.9
69.07077	8.3
70.06579	1.1
70.32469	0.8
71.08640	1.7
71.43309	1.3
76.67087	0.6
79.05495	9.3
80.05021	3.0
81.03413	1.0
81.05785	1.3
81.07065	10.7
81.80159	0.6
82.06586	6.1
83.08627	3.2
85.02908	2.4
85.10181	1.2
91.05484	7.9
93.07050	8.2
94.06573	15.7
95.04980	0.9
95.07346	7.1
95.08607	8.5
96.08144	4.4
97.02851	0.9
97.06524	0.6
97.10161	2.8
97.72247	0.6
105.07055	4.4
107.08601	5.1
108.08167	3.6
108.08761	0.8
109.10189	3.9
119.08584	6.7
121.10165	5.5
122.09657	2.2
123.11707	1.2
133.10121	3.4
135.10643	0.6
135.11752	3.8
136.11272	0.8
147.11696	1.0
149.13290	1.3
161.33186	0.7
174.39386	0.7
205.19260	0.7
209.82431	0.6
233.22676	4.8
243.97716	0.6
245.22661	4.9
247.24136	0.8
250.25359	8.0
254.24756	1.1
262.25317	100.0
263.25790	1.5
272.25821	4.9
280.26379	7.1
401.46323	0.6
504.47855	5.4
516.47784	27.7
518.49323	5.1
534.48889	15.1
654.70276	0.7
696.53729	3.6
714.48987	0.7
732.40088	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	714.5515
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.9
55.05515	6.4
56.05046	4.6
56.05277	1.0
56.17566	0.8
57.07064	2.7
58.06591	1.0
60.04514	1.4
64.51293	0.6
65.03931	0.9
67.05193	0.9
67.05515	10.8
69.03415	0.8
69.06747	0.6
69.07081	7.8
70.06579	2.9
71.08625	1.5
71.25571	1.0
79.05496	9.2
80.05012	2.4
81.05794	1.1
81.07061	8.6
82.06579	5.8
83.08623	5.0
85.02907	2.5
85.10196	0.8
91.05487	8.4
93.07040	8.9
94.06574	18.3
95.04961	1.2
95.07355	7.8
95.07899	1.0
95.08611	6.2
96.08130	5.1
97.02888	1.4
97.10162	2.5
99.18803	0.6
105.07029	4.1
107.08584	4.5
108.08106	2.9
109.07516	0.6
109.10156	2.9
111.11741	0.7
111.16734	0.6
119.08582	5.3
121.10167	4.3
122.09662	1.9
123.11801	1.3
133.10158	3.5
135.10565	0.7
135.11700	3.1
147.11705	1.3
149.13249	1.0
161.13330	0.6
229.95744	0.7
233.22563	3.8
245.22659	5.1
250.25282	7.2
254.24931	1.1
262.25311	100.0
263.25665	2.2
272.25876	5.6
280.26385	7.1
295.39325	0.6
319.33655	0.6
504.47964	5.0
516.47809	27.0
516.55524	1.5
517.48187	1.2
518.49408	4.6
534.48938	14.3
696.54181	3.5
704.82977	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	714.4798
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	24.3
57.03447	13.0
57.07078	10.5
67.05511	57.1
67.69818	9.1
69.07065	24.5
71.51799	10.4
76.97269	9.1
79.05499	33.7
81.07069	100.0
83.04971	12.1
83.08628	19.1
85.69147	8.7
86.09713	13.2
91.05473	24.9
93.07057	43.3
95.08615	57.0
105.07043	28.2
107.08604	26.7
109.10176	25.1
117.07064	13.5
119.08604	30.2
121.10158	30.8
131.08578	18.7
133.10146	19.1
135.11710	21.0
145.10081	12.5
147.11705	19.7
147.53703	8.0
172.89735	9.0
173.13257	9.5
184.07352	16.6
218.69850	12.2
229.14334	13.6
239.16364	15.3
292.49792	9.2
304.26398	14.7
314.18408	8.5
335.25946	39.9
365.82019	8.6
425.34033	10.9
443.35583	10.4
499.38107	25.7
517.38867	57.8
569.61359	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	713.1927
Annotation	Primflasine
Peak:m/z	Relative Intensity
55.01869	0.6
57.03439	4.8
60.95792	0.3
61.02931	1.7
68.99799	0.4
69.03432	7.9
71.01349	1.0
71.05000	0.3
73.02925	12.1
79.05480	0.3
81.03426	0.5
84.40601	0.2
85.02911	5.5
87.04467	0.4
88.36086	0.2
95.05008	0.3
97.02897	11.9
98.20817	0.7
99.04458	1.3
103.03958	0.6
107.04976	0.4
109.02844	0.3
109.26176	0.3
111.00814	0.4
115.03177	0.5
115.03939	7.3
121.02879	2.5
123.04461	0.4
125.00428	0.2
126.09341	0.2
127.03931	0.5
133.02879	0.5
133.04996	1.4
135.04408	0.5
137.02344	1.1
137.05994	0.4
143.03394	0.5
145.04980	0.5
147.04443	0.4
147.05612	0.2
151.03918	0.3
153.01842	2.4
165.01866	1.5
183.02887	0.7
185.06004	0.3
211.06062	2.6
213.05464	0.9
219.75107	0.3
229.05182	0.3
229.07126	0.8
241.04933	0.6
247.08252	0.3
257.04437	0.3
258.05304	0.8
259.05838	0.4
269.04419	0.4
283.06024	0.4
287.05518	100.0
288.05930	2.2
299.05533	3.0
303.05017	12.7
311.05518	0.7
313.07144	0.5
315.04977	0.5
325.07159	1.0
329.06622	3.6
337.07037	0.9
341.06497	0.6
345.05951	0.6
353.06589	2.6
365.06470	1.3
369.05966	0.4
383.07642	3.0
399.06836	0.6
401.08603	1.7
417.08420	0.4
419.09872	4.1
435.09235	1.0
449.10828	18.5
450.11020	0.7
551.13690	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	714.4795
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17186	8.9
55.05509	21.6
57.03446	14.0
57.07061	13.2
59.04989	34.9
64.76276	7.3
67.05234	7.5
67.05511	81.3
68.74994	7.4
69.07057	26.0
75.66745	7.3
79.05495	57.1
81.07064	100.0
86.85321	7.2
89.78497	8.3
91.05483	55.9
93.07059	61.7
95.08604	59.3
105.07052	38.5
107.08595	33.7
109.10138	26.2
117.06989	9.0
117.71127	7.8
119.08577	25.2
121.10146	27.3
123.11712	9.1
126.62558	8.2
131.08572	14.7
131.85799	8.3
133.10104	18.3
135.11668	14.5
145.10129	23.2
147.11700	23.5
150.96938	7.5
161.13280	10.3
167.43987	9.9
173.13266	8.3
182.32202	7.2
184.07329	14.2
239.16402	20.8
262.25308	31.2
317.84229	7.7
335.25919	23.9
425.34616	8.2
499.37646	24.9
503.00037	8.9
517.38861	61.4
573.48651	14.9
599.49817	8.3
616.40826	8.1
683.26953	13.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.1933
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05824	0.3
55.01867	0.9
57.03448	7.7
59.05000	0.4
61.02940	1.7
65.57608	0.3
69.03442	11.3
69.03821	0.6
70.29563	1.2
71.01363	1.5
71.05007	3.1
73.02930	16.5
81.03403	0.5
83.04971	0.5
85.02920	8.7
87.04478	0.9
93.03407	0.4
97.02909	17.2
98.03196	0.3
99.04468	2.1
103.03946	0.8
111.00819	1.0
111.04476	0.3
115.03948	9.7
121.02895	1.4
127.03951	0.6
129.05496	0.8
133.04980	1.8
137.02362	3.8
137.05981	0.4
139.03958	0.6
143.03391	0.5
147.04419	0.5
149.02386	0.4
149.04414	0.9
153.01823	2.1
155.48482	0.3
161.05972	0.3
162.55869	0.3
163.03922	0.7
165.01866	1.8
183.02933	0.6
187.03951	0.3
195.02939	0.4
201.05521	0.9
211.06036	4.5
219.06580	0.3
229.05009	2.4
229.07123	1.0
247.05965	0.6
247.08286	0.6
257.04446	2.1
274.04642	0.7
285.04080	1.1
299.05518	0.6
301.51910	0.3
302.04242	0.3
303.05035	100.0
304.05450	2.1
315.04971	3.6
327.04965	0.9
329.06302	0.4
339.04913	0.4
341.06677	1.2
345.06082	3.6
353.06534	1.0
357.06381	0.4
369.06177	3.5
381.06131	1.1
399.07227	4.3
417.08133	3.2
435.09302	7.8
449.10913	10.3
534.15411	0.3
567.13855	1.5
581.15167	0.5
653.55365	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	712.5359
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12663	0.8
53.03942	2.4
55.05521	5.3
55.76725	0.9
56.05038	2.2
57.07072	3.6
59.05004	4.6
60.04523	1.8
65.03941	1.7
67.04239	1.1
67.05505	11.8
68.05016	1.2
69.03433	1.5
69.07069	5.9
70.06607	1.3
70.11288	3.1
71.08633	2.3
79.05501	10.0
80.05024	2.6
81.07056	10.2
82.06580	5.8
83.08625	3.5
85.02874	2.2
85.10221	1.3
89.06058	1.2
91.05495	16.1
93.07048	10.9
94.06577	20.9
95.04995	1.6
95.07352	5.6
95.08615	6.8
96.08146	2.8
97.10195	2.3
98.21304	1.5
105.07034	12.4
106.06567	3.8
107.07360	1.9
107.08583	5.8
108.08125	8.8
109.10165	4.0
117.07014	7.3
117.09133	1.4
119.08591	12.0
120.08118	2.8
121.10171	5.3
122.09666	6.4
129.07031	1.0
131.08566	8.8
132.08096	3.0
133.08902	2.5
133.10139	6.8
134.09665	4.7
135.10504	0.9
135.11684	2.9
136.11185	1.2
145.10159	4.2
146.09648	2.1
147.10429	3.2
147.11725	2.6
148.11211	4.3
149.13264	1.6
151.32808	1.0
159.11703	2.4
161.13228	1.3
173.13278	2.0
174.46004	1.0
184.07407	1.4
187.14815	1.0
201.16472	1.3
205.57584	0.9
231.21109	9.2
243.21100	8.9
248.23723	9.7
260.23758	100.0
261.24176	2.3
272.25867	4.8
278.24802	8.0
312.25345	0.9
348.41101	0.8
358.60165	0.9
502.46210	6.5
514.46191	8.4
516.47754	4.1
532.47266	20.8
533.47211	1.1
694.52490	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	712.5369
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	4.2
55.05518	15.0
56.05032	8.4
57.07076	7.9
59.05011	16.4
60.04515	12.2
60.04801	3.4
67.05514	67.5
69.03444	3.3
69.07076	11.8
71.08636	4.5
71.51893	4.0
71.52286	4.4
74.23259	2.9
79.05508	24.0
79.05891	4.6
80.05017	5.7
81.07066	45.2
82.06592	33.8
83.08631	12.1
83.63011	3.2
84.54610	3.0
91.05491	32.6
93.07062	19.2
94.06595	10.8
95.04990	3.8
95.08617	38.2
96.08148	10.1
97.10210	4.3
105.07054	19.6
106.06500	3.7
107.08601	12.4
109.10162	19.6
117.07040	24.9
117.09068	4.0
119.08628	20.8
120.08074	7.5
121.08877	9.0
121.10162	3.8
123.11727	11.6
131.08588	20.4
133.10121	8.5
134.09671	4.7
135.11728	6.7
137.05977	3.7
145.10161	13.8
149.09737	3.0
159.11708	17.7
173.13229	3.2
175.77809	2.9
184.07356	6.5
189.16362	5.0
215.17813	3.9
231.21144	7.4
233.55055	2.8
243.21089	40.8
248.23671	3.8
260.23767	100.0
261.22202	10.3
272.25995	19.9
278.24823	17.2
314.26764	3.8
336.28967	5.5
368.31424	19.0
502.45963	4.2
511.99460	3.9
514.46045	23.1
516.47803	10.4
532.47375	30.7
570.49683	3.1
600.50311	5.0
694.51776	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	712.4635
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	1.5
53.03951	3.6
54.45015	1.1
55.01880	6.7
55.05517	19.0
57.03442	18.1
57.07057	2.6
59.04986	2.2
61.02929	2.7
65.03940	3.3
67.05511	66.3
69.03424	1.9
69.07069	16.8
69.82726	6.6
71.01363	2.5
71.04984	4.5
71.08622	1.2
77.03963	1.1
79.05499	51.5
79.77975	1.2
81.03425	3.9
81.07063	52.2
83.04990	15.1
83.08629	8.9
85.02897	2.9
85.06551	3.5
91.05490	26.2
93.07053	62.4
95.04964	3.8
95.08614	35.9
95.09064	1.1
96.08984	1.7
97.02944	1.3
97.06541	10.7
97.10177	8.5
98.20952	2.3
99.08100	2.2
105.07047	11.6
107.04970	1.5
107.08604	35.2
109.06523	1.3
109.10168	14.4
111.08085	3.7
113.06011	1.2
117.06988	6.0
119.08575	9.0
121.10160	18.8
123.11727	2.8
125.09643	2.6
131.08548	7.9
133.10141	9.4
135.11700	50.3
136.12033	1.3
137.09662	1.8
137.13264	2.2
145.10118	11.9
147.11691	4.2
149.13301	4.1
153.12759	6.2
159.11661	3.1
161.13263	4.0
163.11200	6.1
163.14810	2.8
163.23434	1.2
171.11803	1.2
173.13293	3.6
177.80222	1.4
181.12260	12.9
187.14877	2.3
189.11249	1.5
199.13223	2.6
220.80653	1.0
243.21155	4.0
253.14427	2.6
255.15939	100.0
256.16193	1.5
261.22159	13.4
269.17435	2.0
317.24716	2.7
321.24228	2.5
335.25830	62.3
336.26126	2.7
423.32465	2.6
441.33902	1.9
497.36731	1.7
515.37396	75.3
516.37689	3.0
533.37860	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	712.2816
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01604	0.9
51.02380	1.2
53.03949	5.5
53.60749	0.4
55.01868	3.1
55.05504	2.2
57.03445	0.6
57.07072	0.5
59.05007	3.5
61.02929	1.0
65.03931	0.9
67.05509	3.6
68.99778	0.5
69.03429	5.1
69.07070	1.2
71.02570	0.9
71.04957	0.7
73.02930	1.2
77.03936	1.0
79.05483	3.7
81.03429	6.4
81.07049	3.9
83.04987	6.4
83.08588	0.4
85.02908	8.8
85.06526	1.0
87.00842	4.2
91.03945	0.6
91.05486	11.0
91.06023	0.8
93.07050	5.3
95.04973	8.4
95.08611	2.5
97.02907	4.9
97.06508	1.4
99.04458	1.6
103.05499	1.2
103.33223	0.4
105.01969	2.8
105.03399	100.0
105.04538	2.9
105.07036	17.7
106.03712	0.6
107.04963	4.4
107.08615	4.3
109.02889	3.6
109.06525	2.1
109.10154	1.3
111.04438	0.5
111.08080	0.8
115.05456	2.0
117.01880	1.1
117.07031	3.7
119.04961	0.8
119.08590	11.2
121.06520	2.6
121.10165	0.9
123.04459	2.6
123.08050	1.3
125.05980	0.6
127.03920	4.3
128.06224	5.3
129.06998	3.3
130.07779	0.8
131.04945	1.5
131.08578	14.3
133.06512	2.6
133.10141	16.5
135.08066	2.7
137.05969	1.1
137.09618	1.5
139.03885	0.5
139.07536	0.6
141.07013	2.3
142.07779	2.0
143.07509	0.8
143.08571	14.6
144.05724	0.9
145.04977	1.7
145.06454	4.0
145.10132	12.4
146.07230	1.5
147.04390	1.0
147.08060	11.0
147.11693	2.0
149.05971	1.9
149.09621	2.2
151.03944	0.6
151.07536	1.5
153.05449	0.7
153.06958	1.0
155.08559	3.6
156.09354	1.0
157.06493	1.1
157.10153	2.7
158.10899	1.0
159.02890	1.7
159.08066	16.9
159.11697	3.3
161.06050	2.2
161.09627	84.5
162.09985	1.2
163.03857	0.6
163.07570	1.4
163.11180	0.6
163.14745	0.4
165.05423	0.7
165.09132	2.9
165.12743	0.5
168.09341	4.1
169.10158	0.6
170.10982	0.6
171.08044	6.3
171.11723	2.5
172.08839	1.4
173.09607	3.4
173.13272	8.6
175.07573	2.1
175.11171	1.5
175.14832	0.7
177.09114	17.2
177.12668	0.6
179.10648	1.8
181.10069	0.5
183.08109	0.9
183.11714	8.3
185.09659	0.8
185.13258	1.9
186.10419	1.4
187.07535	2.2
187.11209	2.2
189.09122	53.7
189.12691	5.7
190.09442	0.6
191.07175	0.7
191.14268	1.8
193.08565	0.9
193.10114	1.3
196.08829	1.2
199.11220	4.3
201.12758	32.6
202.13171	0.6
203.14220	2.2
205.08607	1.0
205.12228	0.7
207.10184	21.4
207.13763	1.6
208.10579	0.4
211.11214	6.6
213.03908	1.5
214.09914	0.5
214.73994	0.5
217.12251	9.1
219.10220	5.6
219.13788	7.2
225.11253	1.2
229.12253	38.1
230.12296	0.6
235.13329	6.0
237.14989	0.8
247.13321	29.3
248.13591	0.8
249.11183	2.6
259.29053	0.4
261.14948	0.6
265.12045	0.6
265.14371	5.4
277.14362	3.7
281.11813	2.7
289.14316	1.2
295.15253	2.1
303.13840	0.7
307.15430	6.0
311.12778	3.7
321.14813	1.9
325.16449	12.0
329.13626	0.9
339.16110	0.5
351.15836	1.7
369.16995	1.8
399.18008	2.5
429.19138	45.1
430.19614	2.5
447.20172	20.9
448.20285	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	712.2817
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02392	2.5
53.03959	10.5
55.01878	5.6
55.05516	4.6
57.03436	2.0
57.45152	1.9
63.23717	2.0
63.44934	1.9
67.05504	3.7
69.03434	13.9
71.12009	4.2
73.02914	2.7
77.03921	2.0
79.05496	6.5
81.03423	12.5
81.07068	10.9
83.04993	9.6
85.02909	22.8
87.00829	7.9
91.05460	13.3
93.07053	7.6
95.04971	9.1
95.08628	6.1
97.02879	11.4
97.06528	2.4
99.04477	4.3
103.05441	4.4
105.01889	8.1
105.03403	100.0
105.07050	13.7
107.04951	2.4
107.08599	4.7
109.02892	10.5
109.06570	2.7
109.10152	2.7
111.04395	3.2
111.08057	2.7
115.05511	2.2
117.01910	2.3
117.07026	3.4
119.08575	12.2
121.06515	3.9
123.04454	9.1
127.03910	13.8
128.06258	6.0
129.07039	4.6
131.04921	6.7
131.08571	11.9
131.41879	2.2
133.06494	4.8
133.10132	7.5
135.08037	5.1
137.06023	3.5
137.09621	3.5
142.07726	2.4
143.08580	17.0
145.05003	4.3
145.06512	5.6
145.10172	5.8
147.04271	2.1
147.08055	8.0
147.11705	2.8
149.05971	4.9
149.09650	10.4
151.07646	2.4
155.08559	3.3
157.10150	2.9
159.08066	13.4
159.11713	3.0
161.05937	4.3
161.09630	47.4
163.07565	2.5
163.11189	2.0
165.09155	5.5
168.09453	2.8
171.08084	7.5
171.11771	3.5
173.13306	7.9
177.09099	13.3
183.11716	8.7
187.07541	2.4
187.11157	3.4
189.09119	92.8
189.12808	4.2
196.46796	2.0
199.11200	7.8
201.12782	18.5
207.10176	38.0
211.11217	6.8
217.12305	8.8
219.13733	6.4
229.12244	14.5
235.13470	3.2
247.13344	22.8
265.14334	3.5
289.14355	3.4
307.15414	5.2
322.70691	2.2
325.16476	33.4
367.73889	2.1
369.16980	5.6
429.19128	46.9
447.20386	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	711.2132
Annotation	hermannioside B
Peak:m/z	Relative Intensity
55.01863	0.4
55.05494	0.7
57.03442	2.6
61.02925	0.7
66.33032	0.2
68.99812	0.4
69.03433	3.7
69.22708	2.3
71.01349	0.7
71.04998	15.9
73.02920	3.1
75.04462	1.0
79.05470	0.3
81.03394	0.5
81.96878	0.2
83.04991	2.2
85.02910	23.2
87.04449	0.7
95.04958	0.3
97.02893	4.2
99.04463	1.6
103.03877	0.3
107.04894	0.2
108.00283	0.2
109.02863	0.3
109.06547	0.2
111.00786	0.4
111.04449	1.7
113.06086	0.3
115.03940	3.0
117.05476	0.8
121.02856	2.2
123.04419	0.3
127.03917	0.6
129.05490	5.8
131.04883	0.4
133.02827	0.3
133.05006	0.3
137.02347	0.4
137.06027	0.3
139.03911	0.5
145.04971	0.4
147.04420	0.5
147.06552	2.3
153.01866	2.2
161.05972	0.2
161.61313	0.2
163.06134	0.3
163.47635	0.2
165.01811	1.3
165.45003	0.2
166.19771	0.3
171.06509	0.6
183.02896	0.4
185.05968	0.4
199.06073	0.3
209.01620	0.2
213.05521	0.9
225.07597	0.8
231.06477	0.4
241.05017	0.8
243.08711	0.3
258.05347	0.5
287.05515	100.0
288.05875	2.0
299.05493	1.3
311.05563	0.6
313.06885	0.4
325.07065	0.6
329.06577	1.5
337.06985	0.6
353.06570	1.9
365.06601	0.7
383.07791	1.8
401.08780	1.2
419.09802	3.1
433.11334	13.9
434.11652	0.4
565.15735	0.8
641.59906	0.3
691.82935	0.3
717.79669	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.4691
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	5.9
55.01859	2.6
55.05519	20.0
57.03440	14.1
61.02950	3.2
65.03936	4.5
67.05508	76.6
69.07079	21.6
71.04982	6.9
71.52639	2.7
79.05499	53.5
81.03402	2.7
81.07059	84.5
83.04964	4.1
83.08619	14.3
85.02905	3.2
85.06551	5.7
91.05481	38.7
93.07046	52.9
95.04948	3.2
95.08615	80.0
96.87445	2.1
97.06536	10.8
97.10157	4.8
99.08092	5.9
105.07044	19.1
107.08608	24.0
109.06529	4.2
109.10167	20.7
111.08093	3.5
117.07027	5.1
119.08578	21.3
121.10148	19.4
123.08096	4.2
123.11736	5.9
124.09813	2.2
131.08582	9.8
133.10147	24.3
134.10509	2.5
135.11707	22.7
137.13242	3.6
143.08586	2.2
145.10141	10.4
147.11703	4.2
149.13258	7.4
149.75357	2.1
159.11638	4.9
161.13266	22.6
163.11256	2.5
163.14801	3.5
164.45468	2.4
173.13307	5.3
175.14906	2.9
179.14345	11.8
187.14806	2.2
243.21170	5.7
253.14465	6.1
253.18060	14.8
255.15898	12.2
261.22192	18.1
271.19049	28.4
312.43817	2.1
335.25812	100.0
336.26108	6.0
337.27194	2.9
353.27185	2.3
513.39056	3.9
514.36072	8.1
515.37610	23.6
531.40326	33.1
650.54810	2.2
694.52026	2.4
711.38477	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	709.4523
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37440	3.2
53.03947	7.1
55.05532	21.1
57.03434	15.1
57.07082	7.0
59.05008	6.7
65.03962	3.1
67.05509	76.7
69.03418	8.8
69.07069	14.2
70.85254	3.4
70.88774	3.1
71.04978	4.5
71.51580	5.2
79.05496	41.8
81.03426	29.2
81.07059	100.0
83.04993	15.3
83.08627	13.9
85.02911	6.1
85.06542	6.0
91.05486	28.8
93.07053	50.9
95.04974	8.9
95.08624	33.3
97.02884	5.3
97.06553	5.5
99.04449	4.1
105.07045	14.2
107.08604	27.8
109.10173	18.4
111.08074	4.7
117.06992	6.2
119.08606	15.1
121.10166	15.4
123.11742	15.2
127.03945	5.5
129.05499	12.7
131.08582	11.8
133.10121	17.6
135.11705	10.7
145.10132	5.3
147.11740	6.3
149.13300	10.2
156.41359	3.4
159.11700	11.5
169.02452	3.3
173.04494	9.4
177.12808	5.3
187.13300	8.8
195.13922	5.6
243.15855	25.1
258.08420	3.5
261.22229	9.8
269.17490	10.3
305.78058	3.6
317.24332	3.8
335.25809	59.4
380.75369	4.6
483.97348	3.5
503.37344	48.1
529.38873	17.2
542.63043	3.6
547.39496	5.2
597.48083	5.8
673.43231	5.8
691.43762	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	709.3086
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	0.6
65.03938	0.6
69.07047	0.7
71.52169	0.9
72.08149	0.6
75.00042	0.5
81.07072	1.0
84.08155	1.8
85.02932	1.1
88.31747	0.6
91.05502	0.8
93.07052	1.4
94.06573	1.3
95.04961	0.6
95.07363	0.7
96.08148	2.1
97.02857	0.8
97.06509	0.6
103.05489	1.8
105.06979	0.6
105.63192	0.5
106.06562	0.6
106.49617	0.6
108.08114	2.2
110.09686	3.3
119.04967	0.6
120.04480	0.9
120.08124	2.4
122.06063	0.8
122.09675	0.7
124.07621	1.2
126.35239	0.6
127.03923	0.7
131.04932	2.9
132.08141	0.6
136.07581	2.6
137.05968	1.3
138.09164	5.3
146.06026	0.6
148.07568	0.7
152.07065	0.6
157.05736	0.6
164.07057	0.9
166.08684	7.2
167.07150	0.9
172.03986	1.0
177.07809	0.6
181.04987	0.5
182.11795	0.9
190.04999	0.7
204.06648	1.6
210.11475	0.7
223.08716	0.9
225.10217	1.5
236.09387	0.9
237.10298	2.4
238.11040	0.7
239.08185	1.1
239.11858	1.4
246.23712	0.5
248.09305	0.7
249.10255	2.2
250.10994	0.8
251.08333	2.0
251.11823	2.3
253.09834	1.9
254.10678	0.7
255.11276	0.6
261.10431	0.8
263.08929	0.6
263.11853	1.3
265.09821	4.0
266.10519	0.5
267.11285	2.3
271.10748	1.2
277.09839	1.0
278.10553	2.2
279.07678	1.6
279.11374	3.6
280.11993	1.4
281.09286	0.8
281.12900	0.7
283.10797	3.0
285.12354	0.7
287.14038	2.0
289.09753	1.8
291.11240	0.9
293.09360	1.5
293.12912	1.7
294.10089	2.5
295.10880	2.1
296.11694	0.8
297.12469	1.5
299.10413	1.2
303.13553	0.7
306.09949	0.7
307.10660	1.1
309.12366	1.3
311.10327	4.3
311.13718	1.2
312.11154	1.7
313.11911	1.3
314.12659	1.7
323.10306	1.2
324.11154	1.3
325.11768	1.4
326.12637	1.9
327.13486	5.1
335.10181	3.4
339.13412	23.8
340.10559	0.8
351.12274	0.6
354.12186	2.1
355.12955	6.2
367.12946	11.8
371.12357	1.0
385.14435	0.6
386.14807	1.7
387.15594	1.7
388.16318	0.6
399.15524	3.3
460.19019	1.0
479.20590	1.6
488.18127	1.0
492.21439	2.1
520.20959	7.4
552.23468	100.0
553.23682	4.4
709.39551	0.7
734.45959	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.3084
Annotation	Unknow
Peak:m/z	Relative Intensity
58.04713	1.7
65.07517	1.4
65.59279	1.3
69.52227	11.1
94.06551	2.2
98.21493	2.5
103.05419	1.5
107.31711	1.4
108.08115	3.9
110.09683	5.8
120.04458	4.0
120.08127	4.6
124.07610	1.2
131.04924	4.1
136.07568	3.9
138.09143	9.1
166.08667	8.6
172.03882	3.9
190.05045	2.1
204.06557	3.6
225.10327	3.6
228.79872	1.3
237.10266	4.6
239.11760	3.4
249.10187	3.9
251.08186	2.3
251.11810	5.5
253.09698	4.0
261.10123	1.8
263.11749	3.1
265.09668	6.5
267.11176	3.9
277.09741	2.2
278.10605	3.5
279.07889	3.3
279.11319	9.5
280.11984	2.2
281.09097	2.7
283.10785	3.9
285.12341	2.3
289.09744	3.8
291.11365	2.5
293.12802	3.8
294.09946	5.4
295.10733	3.5
296.11725	2.1
297.12469	2.5
307.10654	2.3
309.12296	3.7
311.10199	6.0
312.11035	1.8
314.12692	2.4
315.13321	1.7
323.10281	1.8
323.13760	1.6
325.11761	3.8
326.12689	3.4
327.13309	7.7
335.10355	7.1
339.13428	45.1
340.10382	2.0
350.28076	1.5
354.12097	4.7
355.12857	14.3
367.12970	27.7
386.15115	2.4
415.15475	2.5
432.15424	1.8
474.16925	3.3
479.20450	2.0
479.89102	1.6
488.17899	7.5
492.21106	5.8
520.20856	100.0
521.21033	4.6
541.52954	1.5
552.23480	45.2
553.23236	2.1
627.24548	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	707.4371
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42636	4.1
53.03945	16.0
55.01872	12.1
55.05515	33.5
57.03434	17.1
57.07064	17.2
59.05001	18.2
65.03947	5.5
67.05511	89.5
69.03427	23.2
69.07072	21.5
71.04991	14.4
71.51591	4.9
72.60728	3.5
73.02921	4.3
79.05502	72.0
81.03424	100.0
81.07061	99.2
83.04984	55.1
83.08630	30.7
85.02930	19.3
85.06545	5.9
87.04478	99.8
88.04817	12.3
89.06005	4.3
91.05497	58.9
93.07054	61.7
95.04989	29.5
95.08617	61.9
97.02907	31.2
97.06536	11.6
97.10191	9.0
99.04459	8.3
102.89780	4.6
105.07046	45.1
107.04963	7.9
107.08598	35.7
109.02889	14.8
109.06521	9.2
109.10157	33.2
111.04458	27.2
111.08094	15.0
117.07042	17.1
119.08593	40.3
121.06509	13.9
121.10151	37.0
123.08060	7.2
123.11689	12.8
125.09657	5.1
127.03931	10.0
129.05508	12.9
129.06981	12.5
131.08601	31.9
133.10144	26.2
135.08113	6.6
135.11699	21.0
137.09642	5.3
143.08578	8.0
145.06436	7.2
145.10136	27.7
147.04359	4.8
147.08041	5.4
147.11685	24.2
149.09622	10.2
149.13271	12.9
151.11168	5.1
153.12764	8.3
155.08551	5.1
157.10155	12.0
159.11700	14.3
161.13275	11.1
163.11220	13.3
165.12816	7.0
170.76527	4.8
171.11783	5.1
173.13306	8.1
175.11186	15.6
181.12271	11.4
184.07330	6.9
187.14882	8.8
191.10701	11.2
193.12248	40.0
211.13307	62.9
211.15155	3.0
227.12845	20.3
261.22113	8.4
267.15921	16.0
277.21555	4.9
283.15411	7.7
285.16974	17.7
293.01111	4.0
303.23108	5.2
319.15384	4.3
335.25925	26.9
337.27286	14.3
355.17334	6.0
369.24240	6.2
429.21014	11.9
527.37305	12.9
545.38165	26.7
595.47229	7.7
609.72943	4.2
653.39783	10.0
671.41156	4.2
689.42725	19.3
707.45508	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	707.3777
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89465	1.5
52.48255	1.2
67.05515	2.7
69.38279	1.4
71.51537	1.9
74.99113	1.3
75.34123	1.4
79.05506	2.1
79.06296	1.6
81.07072	3.6
86.09684	2.1
87.04476	5.9
91.05496	2.8
93.07060	3.0
95.08605	2.0
104.04773	1.5
105.07059	2.2
114.30633	1.4
119.08603	2.6
133.10156	1.6
144.78091	1.4
184.07425	5.6
707.37677	100.0
708.37726	4.6
729.01727	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.377
Annotation	Tetrastachynine
Peak:m/z	Relative Intensity
57.07072	1.1
67.05501	3.1
71.52242	1.8
74.38696	1.1
79.05500	3.0
81.07043	4.3
86.09710	2.1
87.04453	4.0
91.05470	3.3
93.07054	1.3
95.08653	1.5
101.74205	1.2
103.60374	1.1
105.07084	1.5
107.08633	1.4
119.08597	1.7
147.11731	1.8
148.69963	1.1
184.07373	4.7
271.55673	1.4
317.59262	1.4
414.49533	1.3
429.82690	1.4
535.26740	1.5
707.37653	100.0
708.38269	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.4368
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64293	2.2
53.03955	13.9
53.53711	2.5
55.01866	7.6
55.05518	30.0
57.03432	15.3
57.07060	3.4
61.02927	4.3
65.03936	3.6
67.05508	75.3
69.03430	23.9
69.07063	16.0
71.01338	2.4
71.04997	12.3
71.12421	4.6
73.02916	3.5
79.05070	4.6
79.05496	55.3
81.03423	100.0
81.07059	82.7
83.04988	44.7
83.08620	21.7
85.02907	18.2
85.06549	2.9
86.09709	3.1
91.05485	51.8
93.07043	49.8
95.04968	30.4
95.08611	39.1
97.02902	21.0
97.06525	10.4
97.10162	10.7
99.04453	5.1
101.75776	2.2
105.07047	34.4
107.04945	5.1
107.08601	29.0
109.02859	11.0
109.06520	6.5
109.10152	22.7
111.04442	20.1
111.08064	12.0
115.05466	4.0
117.07005	8.2
119.08591	31.8
120.44519	2.3
121.06549	4.2
121.10156	29.5
123.08076	4.6
123.11671	6.5
125.09626	5.6
127.03925	8.2
129.05502	17.1
129.07019	11.3
131.08580	22.0
133.06462	2.9
133.10149	21.0
135.08125	2.6
135.11716	19.3
137.09642	2.8
137.13211	4.9
143.08549	6.4
145.10150	12.6
147.08047	4.9
147.11711	23.7
149.09630	6.9
149.13237	6.7
153.12715	6.0
155.08545	4.7
157.10120	15.1
159.11694	10.9
161.09584	2.7
161.13332	4.0
163.11169	8.9
163.14999	3.3
165.12733	4.5
171.11690	3.1
173.09747	2.4
173.13242	7.6
175.11154	14.1
181.12271	5.9
184.07297	3.2
185.13287	4.2
191.10675	6.9
193.12257	37.1
197.13260	3.5
209.11649	3.2
211.13280	62.2
227.12741	13.3
229.14426	5.9
243.21223	3.4
261.22195	7.8
267.15976	11.5
283.15524	5.9
285.16928	20.2
317.24561	3.6
330.97168	2.4
335.25858	33.6
337.27283	9.8
337.49680	2.7
351.23178	3.1
355.17657	4.6
369.24265	7.8
405.26636	3.5
427.19556	3.2
429.21057	5.5
435.32510	2.5
478.00314	2.7
479.29645	3.5
527.37054	7.8
545.38269	41.7
574.23669	2.5
653.40295	3.6
689.42871	14.7
689.52936	3.3
707.43549	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	707.2929
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69160	0.4
53.03934	0.5
55.01878	0.6
55.05511	0.7
57.03434	0.8
57.79499	0.3
60.16568	0.4
67.05495	1.3
69.03419	1.3
69.86076	1.1
69.86485	0.8
70.06590	0.5
71.01356	0.5
79.05504	0.6
81.03438	0.7
81.07063	0.7
85.02908	2.2
85.57111	0.3
89.40144	0.3
91.05490	1.1
93.07022	0.6
94.06564	1.6
95.04957	1.3
95.08601	0.4
96.08141	0.9
97.02885	1.6
98.20818	0.5
99.00800	0.5
103.05470	4.9
105.07016	0.7
107.08591	0.4
108.08132	0.6
109.02890	0.7
109.10155	0.8
110.06013	0.5
110.09706	0.8
111.04456	0.4
113.02386	1.6
116.04980	0.9
119.08612	0.4
120.08109	1.0
121.10138	0.6
122.06035	4.0
124.07570	1.8
131.04939	11.2
132.05272	0.5
134.06044	0.5
136.07582	2.3
137.05998	0.8
138.09187	0.9
139.07632	0.3
140.07111	0.7
141.01869	1.6
143.08473	0.4
144.04448	2.6
148.07613	0.6
150.05537	3.6
152.07109	0.7
160.07561	0.7
162.05540	0.9
165.09097	0.5
166.08640	1.4
167.07155	0.6
168.06610	0.8
172.03949	11.4
172.07602	0.6
174.09187	0.5
182.08159	1.2
183.08939	0.4
186.09164	0.8
187.08682	0.5
188.07108	0.9
189.10263	0.5
190.05020	1.0
198.09184	0.4
199.08514	0.6
200.10725	0.9
201.10257	1.4
202.11038	1.0
203.08679	0.5
203.11824	1.7
204.06589	15.5
205.10152	1.0
211.08727	0.6
213.08023	0.7
213.10268	1.8
214.08659	1.4
214.10709	0.4
215.08298	2.2
215.11795	0.9
216.08961	0.5
217.09790	1.3
227.09755	0.4
227.11829	0.9
228.10197	1.4
229.09758	7.3
230.10521	4.6
231.07994	0.4
231.11307	2.3
233.09583	1.3
237.10077	0.6
238.08737	0.4
239.08218	0.7
240.08949	1.0
241.09735	2.3
243.07767	0.4
243.11278	2.9
244.12057	2.0
245.09180	0.6
245.12856	1.4
247.10854	1.4
249.10213	0.7
253.09763	0.4
254.10558	1.1
255.08926	0.7
255.11356	1.5
256.09760	1.9
257.09299	2.0
257.12860	2.9
258.09973	2.9
259.07352	0.6
259.10806	8.0
260.11700	1.0
261.12241	0.4
271.10852	2.8
271.13760	0.5
272.11594	3.9
273.12369	10.7
274.13226	0.5
275.10287	1.4
279.11200	0.6
283.10687	0.7
287.13858	0.8
289.11847	7.5
289.15118	0.3
290.12595	2.9
293.09296	0.6
297.12305	0.6
299.10321	1.2
300.11078	5.1
301.11877	6.8
302.12000	0.4
303.13351	0.7
305.15018	1.1
307.10748	0.4
315.13443	4.5
318.12103	3.2
319.13290	0.6
325.12000	1.9
333.14468	100.0
334.14774	3.0
339.13443	0.5
351.15561	12.4
357.14355	1.4
472.15070	0.5
490.20233	0.4
492.17450	0.5
504.17706	1.1
518.18982	0.6
527.06451	0.5
550.21887	3.6
551.22437	0.9
568.23090	0.8
583.16083	0.3
607.22095	0.4
639.24554	0.5
657.25085	0.7
666.89685	0.4
689.27618	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.2924
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	1.1
55.01878	1.2
55.05513	0.9
65.03959	1.2
67.05507	1.5
69.03432	1.1
69.07049	0.9
70.06584	2.2
71.01359	0.8
71.50996	0.8
79.05474	1.9
81.03393	0.9
81.07077	1.7
84.08123	1.9
85.02895	2.9
86.09731	1.1
91.05463	2.0
93.07051	4.4
94.06550	4.0
95.07364	3.6
95.08606	1.8
96.08120	6.8
97.02879	2.0
103.05469	6.3
107.08542	1.1
108.08121	6.1
110.09689	10.5
113.02394	1.4
115.08644	0.8
120.08117	10.1
122.06012	3.2
124.07597	1.3
131.04932	14.9
136.07585	5.6
137.05919	0.8
138.09137	14.5
141.01804	1.0
148.07590	2.8
150.09151	1.5
152.07124	0.8
157.10089	0.9
166.08652	15.5
167.06995	1.3
205.10088	0.9
209.10707	3.1
215.08531	1.0
222.07855	1.1
223.12233	1.7
225.10187	2.7
235.08664	4.2
236.09415	3.0
237.10233	16.8
238.10866	1.6
239.11777	2.1
247.08652	1.3
248.09477	1.9
249.10248	22.6
250.11046	5.4
251.08182	1.3
251.09496	0.8
251.11829	7.8
252.08958	1.0
252.12558	1.7
253.09691	3.3
255.11371	0.8
261.10062	2.6
263.08163	2.8
263.11896	1.8
264.08856	7.6
265.09729	16.1
265.12830	1.0
266.10422	3.5
267.11264	6.8
269.09338	1.5
276.08832	1.8
277.09732	14.2
278.10571	6.8
279.07855	1.0
279.11285	12.3
280.11963	3.6
281.09158	2.9
281.12738	1.6
283.10675	2.3
289.09622	1.9
291.07639	2.6
291.11328	2.2
292.08426	2.3
292.12067	2.2
293.05936	1.2
293.09195	25.9
293.12811	7.5
294.09940	3.1
294.13031	0.8
295.10730	2.7
297.08932	0.9
297.12326	1.0
305.09219	6.8
306.10089	2.2
307.10718	10.0
309.08737	2.8
309.12323	6.9
310.09717	1.0
310.13196	1.7
311.10233	2.1
311.13843	1.7
312.11127	2.2
313.12057	1.9
319.10852	3.9
321.12399	1.8
323.10242	4.3
324.11041	2.0
325.11816	4.8
326.12781	1.7
327.13364	3.1
328.14255	1.1
333.08710	3.4
335.10342	1.1
337.11780	8.0
339.13434	16.7
340.10495	1.2
340.14142	1.2
341.11493	1.0
341.15100	1.1
342.12280	2.8
342.16101	1.6
343.12885	1.1
351.09763	13.8
352.14493	1.2
353.11325	2.3
353.15274	1.8
354.12183	1.3
354.16199	1.2
355.12976	3.6
356.13901	2.3
357.14731	1.2
358.15363	1.0
365.11279	7.5
366.12073	2.4
368.13812	1.0
369.10727	1.2
370.11600	3.6
370.15649	1.8
371.12473	2.5
372.17096	1.3
382.11533	3.5
382.15833	1.2
383.12320	4.1
384.13324	3.2
385.14026	7.7
386.14929	1.2
390.18033	1.0
397.13977	19.4
398.14871	4.5
399.15582	1.3
400.16531	3.2
402.13998	1.2
410.15109	1.0
416.15997	1.9
418.17545	4.8
426.14499	1.9
428.15918	2.4
444.15390	1.9
446.16980	8.6
447.17563	1.1
454.14008	5.7
458.17139	1.3
459.37723	0.9
460.18668	2.9
472.15118	16.8
474.16446	2.8
476.18051	1.1
478.19949	4.7
486.16412	1.7
490.19449	2.3
492.17151	8.6
504.17612	6.1
518.19250	9.1
519.19592	1.6
524.23834	7.3
536.20020	3.4
550.21863	100.0
551.22589	47.9
552.22876	2.5
568.22913	41.5
569.23151	2.2
569.43683	0.9
607.21649	2.6
625.23047	6.4
639.24719	5.1
657.25525	20.3
658.25275	1.1
675.26556	7.6
707.29437	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	707.2098
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48315	0.3
53.71444	0.3
60.75664	0.3
71.02758	0.3
82.99794	2.0
94.99861	0.5
97.02886	0.4
98.61333	0.3
98.97540	0.4
101.00890	7.6
109.02837	0.4
113.00875	1.4
115.02467	0.3
119.01178	0.4
119.01933	6.6
122.01357	0.5
127.02445	2.3
129.00290	0.5
129.03946	0.4
131.01917	3.3
133.03423	0.4
139.02368	0.9
143.01915	17.3
144.01904	0.4
145.03494	6.5
147.01401	0.4
152.02547	0.3
153.04005	0.5
155.00636	0.6
155.01904	12.5
157.03496	4.1
159.01289	0.3
161.02960	10.0
167.01913	11.2
169.03485	2.6
171.01353	0.3
171.05028	1.6
173.02992	9.6
175.04514	0.7
179.01880	4.6
181.03418	0.9
185.02979	31.2
186.03061	0.7
187.04558	3.3
191.01967	0.4
197.02975	13.3
198.03116	0.4
199.04471	0.7
203.04031	7.3
209.02904	1.3
215.02161	0.3
215.04021	7.3
221.03091	0.3
221.04985	0.6
227.04025	7.7
233.05093	0.7
239.04189	0.8
245.05090	100.0
246.05241	2.9
257.05078	5.6
263.06174	10.1
275.06116	12.0
284.06760	1.0
293.07178	3.0
305.07208	10.9
306.07263	0.5
317.06992	0.5
326.20496	0.3
335.08258	3.0
347.08322	1.3
365.09332	43.8
366.09476	1.5
383.10327	1.7
407.10522	0.5
425.11456	34.3
426.11630	1.0
437.11404	2.4
455.12662	2.2
485.13504	0.5
492.10947	0.3
554.32269	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.2104
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96562	0.8
67.12048	0.5
69.03423	0.9
71.51334	0.5
72.28156	0.5
73.02959	0.6
78.02552	0.5
81.03397	0.6
82.75200	0.5
82.99863	1.2
84.96051	0.8
85.02896	1.2
86.24435	0.5
91.05437	0.5
97.02908	1.3
98.97588	2.5
101.00882	6.9
109.02847	0.8
110.97568	0.9
113.00886	1.4
116.98667	0.6
119.01149	1.0
119.01936	11.1
119.04993	0.6
127.02428	1.3
127.03899	1.1
128.98598	1.0
131.01903	3.4
137.01912	0.5
137.02930	1.0
140.20103	0.5
143.01909	15.7
145.03462	6.1
147.01378	0.7
147.04410	2.1
153.03998	0.7
155.01888	10.6
155.03099	0.6
157.03456	5.0
161.01692	0.9
161.02982	12.3
163.04454	0.5
167.01932	8.0
169.03481	2.6
171.01474	0.6
171.05022	2.3
173.01419	0.9
173.02966	13.3
175.04424	1.1
177.72353	0.5
179.01932	4.1
185.02969	32.4
186.03056	0.8
187.04526	3.1
189.00829	0.7
191.03917	0.7
192.04774	0.6
197.02977	12.4
203.04004	6.9
209.03003	1.6
215.04030	5.7
219.01797	1.0
221.03174	0.8
221.05031	0.7
223.06557	0.9
227.04054	8.0
237.02907	1.1
239.04190	1.9
245.05093	100.0
246.05328	2.6
257.05161	5.2
263.06183	10.8
265.07629	1.1
275.06165	11.7
283.08057	0.6
283.57974	0.6
284.06589	0.7
293.07352	2.5
298.05289	0.6
305.07193	10.4
312.46890	0.5
323.25217	0.6
335.08252	3.4
336.08322	0.7
347.08310	1.2
351.11484	1.2
365.09387	41.8
366.09729	1.1
367.11047	1.0
369.11063	0.6
383.09845	2.2
395.09348	0.7
407.10223	1.1
425.11429	35.0
426.11612	1.7
437.11557	2.5
455.06485	0.6
455.12619	1.7
586.73236	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.466
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05036	0.5
57.07100	0.9
58.06637	0.4
59.05021	0.3
60.08166	6.1
61.48794	0.3
67.05540	0.9
69.03439	0.3
71.07368	3.4
71.51089	0.2
79.05532	0.6
81.03444	0.3
81.07085	0.8
83.05039	0.3
86.09709	31.5
87.04468	2.7
87.04881	0.3
87.10081	0.3
91.05505	0.7
93.07082	0.7
95.04980	0.4
95.08624	0.6
98.98463	3.6
104.10756	2.5
109.10220	0.3
119.08614	0.3
121.10158	0.3
125.00008	21.0
131.08586	0.3
139.38933	0.3
143.01112	0.3
184.07344	100.0
185.07655	0.3
193.12100	0.3
283.07904	0.4
335.25662	0.5
352.74762	0.3
361.21655	0.3
400.06937	0.3
468.67865	0.3
543.34686	0.6
544.35358	2.7
706.39526	16.1
707.38977	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.2771
Annotation	Unknow
Peak:m/z	Relative Intensity
63.66410	0.5
67.05494	0.5
70.06594	1.0
70.43056	1.5
72.08138	0.7
79.05504	0.7
81.07066	1.2
83.04961	0.7
85.02901	1.0
86.09683	0.6
91.05495	1.4
93.05800	0.5
93.07053	1.1
95.08618	0.9
97.02877	0.8
99.00751	0.5
103.05486	1.2
105.07027	0.7
106.06544	0.7
108.08125	3.9
109.10154	1.0
119.08609	0.5
121.06511	1.2
121.10165	1.2
127.03963	0.7
131.04962	1.8
135.08125	0.6
136.07594	6.5
143.40923	0.6
145.10181	0.6
150.09229	0.8
163.11172	0.8
164.07100	1.4
165.09132	1.0
174.09200	0.6
223.16974	0.7
235.08772	0.8
236.09563	0.9
237.10234	2.3
241.17885	0.6
248.09459	2.4
249.10249	3.6
250.11053	0.7
251.11841	1.1
252.09122	0.5
261.10477	0.6
263.08292	1.1
263.11838	0.7
264.08902	1.7
265.09799	4.4
266.10501	0.8
267.11200	0.6
275.08142	0.6
276.08853	3.1
277.09729	5.5
278.10529	2.0
279.11322	2.0
291.11108	2.7
292.08514	0.7
293.09299	2.0
293.12646	0.9
294.10129	0.8
304.08411	1.3
305.09293	1.9
306.09894	0.8
307.10941	2.1
309.12360	0.6
312.11612	0.6
319.10782	8.9
321.12396	1.2
325.12433	0.9
326.12961	1.3
327.13800	0.6
328.14517	1.6
332.08026	1.0
333.08594	0.9
335.10474	1.5
337.11865	0.9
338.13080	0.9
339.13690	0.7
340.10947	0.7
340.14584	1.5
341.11749	1.8
342.16028	0.8
347.10428	2.1
351.09811	1.7
352.10516	0.7
352.14636	0.8
353.11441	2.3
354.12436	4.1
354.16315	1.0
355.13120	2.1
356.13812	2.9
365.11362	7.2
366.12311	1.9
367.13287	1.4
368.14136	3.3
369.14777	1.5
370.11728	0.7
370.15616	1.9
372.17267	1.1
380.14075	1.5
381.10931	1.8
382.11563	2.9
382.15732	1.6
383.12711	1.4
384.13232	2.8
386.15048	1.4
388.16769	0.6
395.12650	1.0
396.13318	3.8
397.14328	0.6
398.14932	3.5
399.15738	1.5
400.16690	2.2
408.13644	1.1
410.10767	1.0
410.15305	1.4
411.12146	0.8
412.16870	1.5
414.18286	1.8
424.12924	1.6
425.13263	0.6
426.14243	2.4
427.15570	1.1
428.16479	2.4
429.17218	1.2
438.10971	0.6
440.16110	1.6
442.18039	1.0
444.19492	1.6
452.12454	1.4
456.11722	1.4
457.16537	0.6
460.18811	1.4
470.12646	2.6
472.18896	0.8
486.16498	2.2
488.18320	3.4
498.17023	1.2
516.17737	22.5
517.18536	3.4
534.18823	3.4
548.20349	100.0
549.20972	4.1
605.19824	0.9
623.21069	2.5
673.25391	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.2917
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33753	0.2
55.01867	0.3
57.03442	0.4
67.05502	0.4
69.03414	1.0
70.06573	0.4
71.50710	0.2
79.05492	0.4
81.03401	0.4
81.07060	0.4
83.04963	0.2
85.02905	2.3
91.05485	1.8
95.45956	0.2
97.02887	1.0
102.11596	0.3
103.05483	0.6
103.88952	0.2
105.03403	0.6
105.07015	0.7
107.04945	0.7
107.08583	0.2
115.05462	1.2
115.58829	0.2
116.06231	0.4
117.07011	1.1
123.04343	0.3
125.10890	0.2
127.03893	0.5
128.06223	1.8
129.07028	4.5
131.04962	1.2
131.08582	5.5
132.27466	0.2
133.06477	0.8
133.10141	0.7
141.07011	2.0
142.07758	0.7
143.04866	0.3
143.08580	1.5
144.05708	1.8
144.06696	0.4
145.04980	0.4
145.06477	1.6
146.07246	0.6
147.04353	0.4
152.06226	0.2
153.07005	0.7
155.06026	0.5
156.05717	0.3
157.06511	3.2
158.07309	0.5
159.08064	9.3
160.05197	0.3
161.05978	0.8
161.09639	2.9
162.07581	0.4
167.07080	1.7
169.06381	0.4
169.07735	1.3
170.07256	2.2
171.08051	2.1
172.05190	1.0
173.06041	1.4
174.06789	0.9
175.07564	0.7
180.08768	0.5
184.05161	0.3
184.97739	0.2
185.05994	0.4
187.07570	7.0
189.05487	0.7
189.09099	3.6
191.07144	0.5
193.08598	0.5
198.06721	0.8
199.07558	1.2
201.05508	0.3
203.07097	1.3
204.07829	4.7
205.08557	0.5
206.09322	0.4
216.07822	1.4
217.08702	0.5
218.09305	0.5
219.10185	1.0
219.65727	0.2
221.08067	0.6
221.11728	0.9
231.10202	3.1
234.08868	0.4
249.11240	100.0
250.11612	2.0
319.77274	0.3
324.92322	0.3
393.87653	0.2
416.02655	0.2
444.79660	0.2
463.93906	0.2
511.47528	0.2
511.55942	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.2971
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51944	0.5
55.05523	0.6
60.74903	0.5
62.14598	0.4
62.27013	0.6
67.05542	1.3
69.70380	2.4
79.05512	1.1
81.07073	1.4
91.05494	1.1
93.07005	1.0
95.08607	0.9
98.21468	1.1
105.07040	0.9
107.08582	0.6
117.07087	0.5
117.49909	0.5
131.08588	0.8
143.08508	0.7
144.08168	0.7
145.10062	0.5
159.11778	0.5
172.07611	0.9
183.09277	0.7
194.09731	0.6
195.09204	1.8
196.07729	0.7
196.09950	1.4
197.07144	1.0
197.10832	0.8
207.09138	1.1
208.09886	1.2
209.10725	7.4
210.11536	2.2
211.08714	0.6
211.12305	1.0
221.10762	1.5
222.11459	4.5
223.08757	1.6
223.12238	6.0
223.14153	0.5
224.13084	6.2
225.06673	2.0
225.13879	4.6
227.08345	0.7
232.09807	0.9
235.08699	1.6
235.12425	1.8
236.09460	1.1
236.13048	1.3
237.10388	2.9
237.13892	16.1
238.14622	6.1
239.08220	3.8
239.15553	1.4
249.10266	0.7
250.11163	1.4
251.11845	1.7
252.12692	1.7
253.09761	0.8
253.13411	1.6
255.07773	0.7
255.11285	0.9
263.08215	1.7
263.11703	0.7
265.13388	8.2
266.14133	2.8
267.07672	4.5
269.09329	1.1
271.10852	1.3
281.09259	2.8
285.08606	0.7
297.12387	1.8
299.10391	2.5
313.11841	1.3
323.13721	0.7
325.15430	4.8
341.11328	8.7
369.79739	0.6
391.16241	0.6
403.15408	0.5
405.17371	1.3
406.18536	0.8
407.18903	1.2
419.14868	1.3
420.15625	0.9
421.20966	0.9
433.16565	2.0
434.17722	0.7
435.18201	2.8
445.16644	1.0
447.19556	0.7
448.19888	0.9
449.19839	2.1
450.20602	0.7
458.17404	1.1
459.17572	0.8
461.16479	0.6
463.17639	1.9
464.22418	0.7
476.18878	1.1
477.19269	2.1
478.20352	0.6
479.21295	0.7
490.20584	0.7
491.21097	3.4
492.21448	0.6
495.20120	0.7
505.22662	1.6
507.20389	0.9
508.21591	0.9
509.21945	0.8
519.20367	0.6
520.21289	0.6
522.22400	1.0
523.23547	3.7
524.24274	0.7
533.21954	1.7
534.21765	0.9
535.19965	0.7
536.19855	0.7
537.21228	0.7
538.26392	0.8
541.33911	1.5
547.23633	0.7
549.24976	1.2
550.22449	1.5
551.22974	4.5
560.20129	0.6
565.24988	2.9
566.25433	3.9
575.22900	1.1
578.21716	0.6
579.23010	0.6
592.22705	0.5
593.23969	10.4
597.23718	0.9
611.25006	4.9
621.23334	2.3
625.25842	4.2
635.24969	2.2
653.26086	100.0
654.26379	4.6
685.28693	11.0
703.38922	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	701.3725
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97678	0.2
53.73460	0.2
59.78421	0.3
67.05504	0.3
69.46423	1.3
69.46838	0.5
81.07050	0.4
91.05468	0.2
102.71066	0.3
141.85449	0.2
142.82355	0.2
149.02364	0.2
158.48376	0.2
185.04301	0.8
203.05270	1.8
203.18457	0.2
238.20744	0.3
253.45683	0.3
259.08035	1.5
265.20618	0.3
321.23065	0.4
347.09714	1.0
365.10638	3.5
376.24429	0.3
407.18307	0.2
421.13248	0.8
517.13782	0.2
539.31982	16.6
540.32574	0.8
627.95129	0.3
701.37268	100.0
702.37604	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	702.4707
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	0.3
56.05028	0.7
57.07073	0.3
58.06362	0.3
58.06632	0.6
59.05009	0.6
60.08163	6.4
66.24538	0.2
67.05498	0.7
71.07379	3.9
71.08628	0.4
76.65590	0.2
78.13951	0.2
79.05482	0.3
81.07053	0.9
86.09708	32.3
87.04465	0.3
87.10020	0.2
89.06037	2.7
93.07001	0.2
95.08606	0.5
98.98471	3.4
99.11796	0.2
104.10745	2.5
107.08578	0.3
125.00008	21.5
133.08635	1.1
133.10117	0.3
135.22313	0.2
140.09267	0.2
173.96167	0.2
177.11197	0.4
184.07344	100.0
185.07739	0.5
358.85873	0.2
382.98660	0.2
393.03992	0.2
405.28989	0.2
573.48615	0.4
702.35431	0.3
702.46844	4.6
703.46759	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.2819
Annotation	Unknow
Peak:m/z	Relative Intensity
59.14095	1.3
67.05501	1.4
69.07048	1.3
81.07077	1.6
86.09746	2.7
119.93940	1.5
125.00044	1.5
129.92101	1.2
132.08113	2.8
133.54742	1.5
184.07368	6.8
187.08711	2.1
209.10759	1.8
211.12285	1.9
220.09763	2.3
223.12350	1.9
229.09738	1.7
232.09886	1.3
233.10878	1.5
235.12418	2.1
237.13814	2.5
239.11794	1.6
249.10258	2.3
250.11259	1.6
251.11758	3.2
253.13405	2.0
261.10187	2.1
262.10889	1.5
263.11682	3.1
265.13492	2.4
276.11554	1.7
277.13263	1.8
288.11533	1.5
290.13177	1.7
305.12677	1.5
332.14017	3.5
334.15689	1.6
346.16037	1.5
351.16327	2.5
353.17834	2.3
362.15720	2.1
363.16354	1.9
367.15536	2.1
367.19565	2.9
375.16147	1.8
377.17773	2.2
381.17166	3.3
391.15326	3.3
393.16922	2.3
395.18793	3.7
396.19641	4.1
397.20432	7.1
404.16376	2.6
405.17303	3.4
407.18762	3.9
409.20612	2.4
417.17111	1.7
419.14499	1.9
423.18048	2.8
424.18933	2.8
425.19727	6.1
433.20554	2.2
434.17264	4.4
435.18277	2.9
439.21689	1.8
447.17926	2.1
450.20792	1.6
451.21762	3.4
453.19452	1.8
461.19992	2.9
462.16641	11.1
463.17160	3.0
464.18466	2.0
467.20670	2.9
475.17667	2.9
479.21078	2.4
480.21976	2.9
482.23251	9.8
483.23938	6.3
484.24829	4.8
489.15280	2.2
493.22803	2.1
494.19302	10.5
508.17444	2.5
510.22534	5.7
511.23312	10.0
512.24170	18.9
517.18567	1.8
521.21661	5.5
522.18695	2.7
525.25018	4.2
526.25879	3.8
535.23254	1.9
538.21960	3.1
539.22888	4.3
548.20813	2.2
549.21570	4.7
553.24658	4.0
554.25391	8.7
563.22797	1.9
567.22479	6.3
568.22815	3.6
577.21143	7.3
580.23401	2.6
581.23999	12.6
582.23877	2.8
594.21436	2.5
595.21710	3.5
598.24347	5.7
599.25226	10.4
608.22656	13.1
609.23639	4.5
613.26239	7.0
623.24872	8.8
626.23761	25.1
627.24457	17.1
641.26086	26.6
642.26624	2.5
651.24408	14.9
652.25073	1.8
669.25635	61.8
670.26105	4.6
701.28174	100.0
702.28467	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	698.4328
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23881	3.2
55.05520	25.6
57.03445	9.2
57.07080	14.4
60.98041	3.5
61.02935	31.7
67.05515	33.7
69.03441	4.4
69.07079	52.2
71.08636	14.1
71.51675	3.9
73.02927	9.8
76.59546	3.2
79.05495	13.1
80.14150	3.0
81.07067	40.1
83.08629	47.0
85.02915	34.8
85.06562	4.1
85.10188	6.1
91.03971	33.7
93.07050	19.4
95.08625	45.0
97.02907	20.9
97.06528	8.8
97.10188	26.6
107.08642	17.1
109.10160	23.9
111.08148	4.2
111.11726	8.3
121.10152	33.1
123.11717	9.8
127.03955	10.0
135.11697	27.9
137.78343	3.0
145.04985	14.1
149.13283	16.4
150.70403	3.1
160.79587	2.9
163.06059	18.8
163.14847	6.1
165.16370	4.9
247.24286	35.1
265.25302	100.0
283.26453	17.4
339.28995	98.5
357.30048	48.7
426.07126	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	700.4487
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	6.3
57.03447	3.9
57.07080	41.4
60.08167	5.5
61.02933	15.6
67.05180	1.0
67.05510	13.9
69.03426	2.2
69.07077	8.2
70.96076	1.6
71.04987	1.1
71.07360	2.2
71.08638	34.1
73.02921	5.0
75.04473	3.1
79.05478	1.3
81.03386	0.8
81.06599	0.9
81.07064	17.8
83.08620	9.3
85.02913	18.1
85.10184	19.5
86.06113	0.6
86.09711	20.1
89.06026	1.6
91.03963	13.1
93.07033	1.5
95.08615	26.5
97.02907	8.3
97.10181	11.8
98.98459	2.1
99.04465	1.1
99.11753	1.4
104.10762	1.1
107.08605	0.8
109.02891	1.0
109.10165	13.8
109.10923	0.8
111.11736	4.8
113.13325	0.7
123.11716	5.6
125.00013	15.1
125.13326	1.0
127.03928	6.2
137.13260	3.2
145.04973	6.0
163.06009	12.3
165.16379	1.0
184.07353	67.2
249.25836	2.0
250.40416	0.6
267.26840	23.5
285.27960	4.3
306.22598	0.7
341.30527	100.0
342.30936	2.4
359.31586	27.7
360.31851	0.9
405.20844	0.7
447.68164	0.7
545.70337	0.8
560.58612	0.8
654.92511	0.7
700.44897	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	700.4517
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	0.7
56.05038	1.0
57.07080	4.4
58.06612	0.4
60.08173	5.8
61.02932	2.1
67.05520	1.9
69.07055	1.1
70.81521	1.0
71.07384	3.4
71.08640	3.9
73.02931	0.7
81.07062	2.7
83.08619	1.2
85.02908	2.1
85.10189	2.1
86.09719	32.5
91.03958	1.5
91.05472	0.4
93.07063	0.4
95.08630	3.3
97.02896	1.2
97.10178	1.2
98.98490	3.0
104.10784	2.2
109.10157	1.5
114.14523	0.3
123.11728	0.7
125.00027	21.8
133.39474	0.4
135.73256	0.4
145.04982	0.7
152.06165	0.5
163.05998	1.2
184.07368	100.0
185.07657	0.8
229.70714	0.4
265.76434	0.4
267.26978	2.9
341.30557	13.2
359.31711	3.8
554.24249	0.4
602.85846	0.4
603.71912	0.4
609.23560	1.0
700.45618	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	698.2662
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.5
55.01889	0.4
55.05506	0.5
57.03436	0.4
59.64670	0.4
60.76202	0.4
62.44439	0.4
67.05511	0.6
69.03448	0.6
69.34167	3.5
74.17905	0.4
78.09322	0.4
79.05498	0.5
81.03417	0.5
81.07053	0.5
82.56005	0.4
83.04992	0.5
83.66904	0.4
85.02913	0.8
91.05479	1.5
93.07036	0.9
95.04974	0.8
95.08599	0.5
97.02889	0.8
103.05469	0.8
104.05029	0.6
105.07021	1.3
107.04930	0.7
108.04500	0.8
108.90023	0.4
111.04433	0.5
115.05435	0.5
117.05773	10.6
117.07038	0.8
118.06564	0.5
119.08611	0.8
121.06519	1.4
122.06035	0.6
128.06277	0.9
128.98228	0.4
129.07030	1.4
130.06544	1.7
131.04958	1.4
131.07338	2.4
131.08533	0.6
132.04434	1.1
132.08102	33.0
133.06477	0.8
133.10190	0.5
134.09656	0.4
136.07593	0.8
137.04715	0.6
137.05972	0.8
142.07759	0.9
142.92725	0.4
143.07370	0.4
143.08562	0.8
145.02838	0.5
145.05228	4.4
145.06476	1.1
147.08060	1.1
149.05956	0.8
155.08565	0.6
157.10158	1.1
158.07307	0.5
159.08096	0.7
160.07590	53.7
161.05946	0.9
161.07962	0.9
161.09589	0.8
173.05975	0.7
173.09720	0.5
175.07600	0.9
177.05453	0.5
177.09050	0.5
178.08646	65.2
179.08957	0.8
185.09659	1.0
187.07526	0.6
188.07080	2.7
189.09222	0.6
191.07050	0.5
201.09154	1.2
203.10716	1.5
206.08136	100.0
207.08476	1.5
213.09183	0.6
217.08586	0.7
224.09239	5.7
229.08682	0.5
231.10139	1.2
259.09729	0.5
262.10703	1.6
277.10675	0.7
280.11844	0.8
542.20007	0.5
560.21509	0.6
602.22412	2.2
620.23315	5.8
638.23907	1.7
644.22937	0.9
662.24475	8.8
680.25500	47.6
681.25739	2.8
698.26501	8.6
699.26575	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	698.4324
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05529	19.5
57.03435	7.3
57.07074	16.3
61.02934	22.0
67.05513	29.4
69.03431	4.4
69.07072	42.0
71.08621	10.9
71.51918	5.2
73.02907	7.1
79.05510	19.5
81.07058	38.0
83.08636	35.3
85.02912	26.1
85.10199	6.3
91.03966	24.5
91.05482	3.8
93.07048	21.1
95.08611	47.2
97.02911	13.9
97.06526	9.8
97.10185	25.7
102.68086	3.3
107.08617	19.8
109.10165	25.4
111.08083	5.4
111.11739	9.0
121.10151	45.5
123.11690	7.0
125.13279	4.8
127.03941	6.2
135.11708	23.2
136.33949	3.5
137.39607	3.3
145.04958	12.9
149.13255	12.5
151.14850	5.9
163.06058	16.2
163.14801	6.7
165.16357	5.4
223.16846	4.4
247.24216	35.2
265.25299	88.4
283.26321	14.1
339.28986	100.0
357.30048	45.8
501.33871	6.4
518.69250	4.5
537.22284	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	697.3405
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	3.6
60.15834	1.3
61.02927	5.7
67.05515	8.8
69.03432	4.8
71.04982	1.7
71.51466	1.4
71.51879	2.5
73.02910	4.2
79.05499	2.9
81.07058	5.8
83.08629	2.0
85.02898	5.3
91.03964	4.8
91.05493	3.0
93.07078	2.6
95.08607	2.5
97.02915	7.0
101.02415	3.4
107.08556	3.2
109.02878	2.2
109.10179	9.1
127.03929	2.2
161.85925	1.4
173.11752	2.9
185.04254	3.2
229.14427	2.1
243.08400	5.4
301.08954	6.0
315.10434	2.4
371.16751	4.5
373.11090	3.0
385.18335	3.5
413.17935	20.6
425.21481	4.0
453.20984	5.2
463.26331	2.1
464.54816	1.5
469.20697	1.7
485.19946	6.5
541.26404	3.4
555.63959	1.4
567.31415	25.0
596.31671	6.4
625.31946	100.0
626.32074	3.5
628.30298	5.9
647.09698	1.8
651.33795	7.2
697.23059	2.3
697.34070	35.7
698.34332	2.3
723.98676	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.3
55.01868	0.4
57.03443	6.5
61.02933	2.0
64.98174	0.4
67.05506	0.4
68.99787	0.4
69.03437	10.4
69.40645	2.2
69.82292	0.3
71.01356	1.0
71.05004	2.9
73.02927	15.5
75.04491	0.5
79.05499	0.3
81.03410	0.6
85.02913	7.6
87.04469	0.8
97.02905	15.6
97.58212	0.3
99.04472	1.7
103.03946	0.7
109.02883	0.3
110.85071	0.3
111.00779	0.3
111.04469	0.5
115.03945	9.5
117.05520	0.5
121.02883	3.3
127.03866	0.3
129.05484	1.2
133.02856	0.5
133.04984	1.3
137.02325	0.5
137.06000	0.6
139.03922	0.6
143.03439	0.4
147.04494	0.4
149.04506	0.4
153.01860	2.2
157.05055	0.4
165.01845	1.3
167.07036	0.3
169.05063	0.5
183.02960	0.7
203.03391	0.3
203.72501	0.3
211.06044	4.0
213.05492	0.9
229.07120	1.0
231.06529	0.4
241.04912	0.8
247.08224	0.4
258.05313	0.7
269.04550	0.6
287.05530	100.0
288.05786	1.8
299.05511	3.2
300.06262	0.4
311.05603	0.8
313.07040	0.8
325.07083	1.3
329.06604	3.7
337.07056	1.3
353.03580	0.3
353.06717	3.0
365.06613	1.5
383.07700	4.0
401.08713	2.3
419.09747	5.6
433.05435	0.5
433.11301	8.9
438.64325	0.3
510.03134	0.3
526.97754	0.3
551.13629	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.1224
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96562	1.4
57.03439	1.0
69.03420	2.5
71.01359	1.5
71.50823	0.6
71.51191	1.2
73.02884	1.0
81.03423	0.9
84.80914	0.6
84.96050	1.0
85.02911	5.2
86.18516	0.6
87.04480	0.8
88.37026	0.6
97.02892	1.8
98.97597	5.3
101.00906	2.0
102.56367	0.9
110.97600	2.0
112.99156	0.9
116.98633	1.6
119.01923	1.8
127.03934	2.0
128.98672	1.3
129.01999	0.9
143.00171	1.1
143.01918	0.9
145.04994	1.5
150.23831	0.6
155.01952	1.0
156.98129	0.8
157.03481	2.0
158.99693	1.5
161.01277	1.1
161.02921	1.2
165.10234	1.0
169.03375	0.8
170.99666	1.1
173.01302	0.9
173.03003	0.9
177.00749	1.1
179.02260	1.1
184.05849	1.0
185.02977	1.2
191.02409	0.8
197.03241	0.7
199.02795	0.9
201.17239	0.7
215.73640	0.7
219.01799	1.6
223.06703	2.2
237.02821	1.7
239.04350	0.7
245.05081	1.9
261.02942	1.6
265.07956	1.1
267.07333	1.0
268.72891	0.8
273.08447	1.0
274.08762	1.0
299.85519	0.7
337.09836	1.0
367.10837	4.1
379.13013	0.8
383.08749	1.7
391.06375	0.9
393.07538	0.7
402.61987	0.8
414.33517	0.7
471.20432	0.8
515.09424	0.8
537.33508	0.8
665.09668	13.5
679.11102	2.9
697.12244	100.0
698.12024	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	696.4168
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	2.8
54.57467	1.2
55.05518	15.2
55.87429	1.4
57.03439	5.0
57.07080	7.7
61.02934	22.1
65.03967	1.5
67.05515	52.4
69.03438	2.8
69.07079	17.0
71.08639	4.3
71.40401	2.4
73.02927	7.0
79.05502	19.4
79.20267	1.2
81.03449	1.7
81.07067	72.4
83.05019	2.2
83.08633	17.3
85.02919	29.9
85.06564	3.7
85.10177	2.9
91.03969	24.0
91.05498	11.8
93.07064	19.8
95.08624	61.1
97.02914	12.2
97.06551	5.4
97.10188	9.2
99.08115	3.8
105.07043	8.1
107.08587	13.9
109.10173	32.0
111.08105	3.8
111.11736	2.5
113.09604	2.2
115.03944	2.6
119.08624	9.1
121.10155	18.3
123.11729	16.9
125.13267	1.3
127.03933	9.0
133.10181	13.3
135.11700	8.7
137.09691	1.5
137.13274	5.8
139.11191	2.1
141.12805	2.9
145.04979	13.0
147.11707	10.3
149.13303	9.3
151.14867	4.9
153.12825	1.9
155.14294	3.3
159.11835	1.7
161.13261	11.7
163.06032	22.5
163.14868	9.2
165.16431	7.7
167.14339	2.2
175.14844	10.9
177.16386	1.7
179.17982	8.5
181.15903	1.7
182.08211	1.4
189.16409	4.8
203.17976	2.0
217.19525	2.4
245.22697	62.9
257.25879	1.5
263.23746	100.0
264.24246	2.7
265.25330	2.4
337.27420	50.6
355.28497	7.7
594.70471	1.4
599.88470	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.4173
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84531	0.9
53.03945	1.5
55.05517	18.7
57.03442	6.5
57.07077	9.6
60.57468	1.0
61.02932	24.5
65.03941	1.9
67.05511	73.1
69.03427	3.4
69.06734	1.5
69.07079	25.5
70.10082	4.9
71.05024	2.0
71.08631	5.4
73.02921	10.6
75.04479	1.0
79.05505	19.0
81.03449	1.1
81.07066	83.8
83.04995	1.3
83.08630	19.6
83.61298	1.2
85.02915	29.7
85.06534	2.8
85.10176	4.2
91.03965	24.2
91.05489	16.9
93.06482	1.6
93.07054	26.1
95.04979	1.6
95.08618	79.9
96.04513	0.9
97.02907	15.4
97.06523	5.7
97.10178	14.2
99.04465	1.2
99.08084	5.5
105.06502	1.0
105.07052	11.8
107.08605	17.5
109.10172	39.2
111.08112	6.0
111.11720	4.7
113.09631	2.3
115.03909	1.2
119.08600	11.2
121.10162	24.3
123.07981	1.1
123.11726	19.2
125.09636	2.7
125.13303	1.3
127.03928	9.0
127.11203	2.4
133.10139	17.2
134.05972	1.0
135.11700	12.1
137.13268	9.6
141.12767	3.1
145.04948	11.0
147.11705	13.0
149.13269	12.4
151.11195	1.8
151.14821	6.8
155.14322	3.0
161.13274	14.5
163.06050	17.5
163.14828	9.8
165.12804	1.3
165.16408	8.9
167.14288	1.8
175.14854	11.0
177.16386	2.9
179.17963	9.8
181.15913	2.3
189.16391	6.8
193.15958	2.5
203.17999	2.1
217.19574	1.2
245.22675	66.2
263.23737	100.0
264.24185	1.7
265.25229	1.1
269.44586	1.1
281.24704	3.3
293.90356	1.1
334.72583	1.1
337.27402	73.5
338.27600	1.6
355.28506	14.3
358.15720	1.1
380.89105	1.1
499.32513	4.3
506.03226	1.3
522.27032	1.0
536.10803	1.1
543.30981	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.2504
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01588	0.4
53.03934	0.4
55.01862	0.7
55.05510	0.6
57.03422	0.6
67.05496	0.6
67.12510	0.3
69.03419	1.2
70.06583	0.4
71.04999	0.4
71.32077	0.4
77.99778	0.4
79.05487	0.8
80.05008	0.4
81.03409	0.9
81.07037	0.6
83.01345	0.5
83.04963	1.3
85.02904	1.3
88.34163	0.3
91.05490	1.8
93.05792	0.6
93.07040	1.0
95.04948	1.2
95.08604	0.7
97.02883	1.0
97.06549	0.3
99.00828	0.4
99.04481	0.5
103.05477	0.8
105.07024	1.2
107.04954	0.6
108.04485	1.3
109.02874	0.3
109.06506	1.2
111.04417	1.0
112.04690	0.4
113.02354	0.9
115.05487	0.8
117.05769	11.7
117.07024	0.7
119.04977	0.6
121.06519	1.1
121.10126	0.5
123.00761	0.4
124.03981	0.6
125.05975	0.7
127.03934	1.2
129.07016	0.9
130.06525	2.7
131.04953	2.5
131.07326	3.6
131.08342	0.6
132.04480	1.7
132.08099	38.0
133.06487	0.3
135.08038	0.5
136.07568	0.9
137.05957	1.0
141.06927	0.4
142.07771	0.5
145.05272	6.0
145.06483	1.0
145.10129	1.2
147.04440	0.6
147.08119	0.4
149.06001	0.7
150.05569	0.5
151.07547	0.5
155.03419	0.9
155.08553	0.6
157.10150	0.4
159.08051	0.9
160.07591	63.8
161.05978	1.3
165.09134	0.3
171.11644	0.4
173.09641	1.4
175.07603	0.5
177.05449	0.6
177.09074	0.4
178.08646	76.1
179.08916	0.3
183.08035	0.5
185.05957	0.5
188.07060	2.4
189.05450	0.6
189.09102	0.6
191.06970	0.6
199.07530	0.5
201.09181	1.0
204.06529	0.6
206.08138	100.0
207.06609	0.6
207.08458	1.7
211.07582	0.6
217.08575	0.8
219.06535	0.4
224.09198	4.2
229.08665	0.9
233.09680	0.5
244.05417	0.5
262.10825	3.9
275.09259	0.7
280.11765	1.1
302.98456	0.4
342.46469	0.3
356.14706	0.4
576.20734	1.1
600.20789	0.8
618.21899	4.0
636.23279	1.6
660.22986	5.7
668.25433	0.4
678.23932	60.5
679.24353	2.6
696.24835	6.8
696.35834	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.2507
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02392	0.3
53.03948	0.4
54.66957	0.3
55.01870	0.6
63.04044	0.4
67.05492	0.6
69.03418	1.0
69.80312	0.9
69.80728	1.1
70.06599	0.4
71.01372	0.4
71.04974	0.8
79.05489	0.9
81.03403	0.7
81.07065	0.8
83.04945	0.7
85.02890	1.1
91.05503	1.9
92.04993	0.4
93.07028	1.1
95.04965	1.3
95.08612	0.7
97.02876	0.8
98.21418	0.6
99.04408	0.4
103.05486	2.3
104.05024	0.4
105.07020	1.2
107.04972	0.6
107.08598	0.5
108.04487	0.9
109.02876	0.4
109.06526	0.8
111.04452	0.5
113.02357	0.9
115.05444	1.1
116.10278	0.3
117.05774	12.2
117.07011	0.8
118.06531	0.4
118.52186	0.3
119.04931	1.0
119.08600	0.7
121.06472	1.1
122.06043	0.8
123.04379	0.5
123.08004	0.6
127.03912	0.5
129.07016	0.7
130.06551	2.5
131.04955	5.1
131.07303	3.7
131.08527	0.7
132.04463	1.5
132.08107	37.9
133.08469	0.4
133.10124	0.6
134.22606	0.4
135.08092	0.6
136.07588	1.3
137.04738	0.4
137.05972	1.2
141.01901	0.4
143.08607	0.5
145.05264	5.1
145.06444	0.9
145.10139	0.7
147.04425	1.4
147.08078	0.8
149.05998	0.6
150.05569	0.5
151.03932	0.4
155.03427	0.6
155.08607	0.5
158.06067	0.8
158.07321	0.5
159.08072	1.0
160.07599	64.1
161.05978	1.3
161.07980	0.7
161.09581	0.5
163.03957	0.3
163.06296	0.5
163.07544	0.6
165.05551	0.3
171.08078	0.4
173.06026	0.7
173.09720	0.6
175.07579	0.6
176.07138	0.4
177.05516	0.8
178.08652	70.5
179.08926	0.8
187.07634	0.5
188.07091	1.8
189.05472	0.5
199.07549	0.5
201.05524	0.5
201.09134	1.2
203.07089	0.4
204.06549	0.3
205.08495	0.4
206.08147	100.0
207.08534	1.7
211.07585	0.5
215.07071	0.8
217.08574	0.4
224.09151	4.0
227.07082	0.5
229.08652	1.2
234.11374	0.5
237.07671	0.4
247.09589	0.5
257.08060	0.4
262.10803	3.8
275.09390	0.4
280.11816	1.5
293.10236	0.5
353.12314	0.6
540.18439	0.4
558.19824	0.7
576.21002	0.8
600.20630	2.6
605.46271	0.4
618.21838	4.5
619.21899	0.4
636.22906	1.3
660.22974	3.1
678.23969	54.0
679.23901	2.2
696.25073	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.2503
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.5
55.05518	0.7
56.17783	0.7
57.03434	0.8
59.04996	0.6
63.83780	0.6
67.05502	0.8
69.03411	2.3
70.06583	0.8
71.01353	0.6
71.51008	0.9
73.02901	0.8
79.05498	1.1
81.03425	1.5
81.07079	1.1
83.01358	0.8
83.04978	1.7
84.73796	0.6
85.02904	2.8
91.05485	2.4
93.07071	1.7
95.04998	1.8
95.08615	1.2
97.02866	1.3
99.00838	1.5
103.05457	2.5
103.41674	0.7
105.07052	1.3
106.02911	1.2
107.08619	0.9
109.02882	1.4
109.06481	0.8
109.10167	1.1
111.04470	1.8
113.02374	1.5
115.05443	0.9
117.05762	10.3
118.06621	0.7
119.04988	0.8
119.08560	1.1
121.06478	1.4
121.10171	0.9
123.04438	1.1
124.03978	11.2
127.03945	1.3
129.07024	1.0
130.06529	2.4
131.04929	5.0
131.07318	2.7
131.08617	1.4
132.04471	1.5
132.08102	36.1
133.10164	1.1
135.04443	0.9
135.08066	0.9
137.05957	0.9
137.09680	0.9
141.01930	0.7
143.08540	1.0
145.05232	6.2
145.06281	1.2
145.10161	1.0
147.04388	0.8
150.05563	0.8
157.10101	0.8
159.08070	2.2
160.07594	60.0
161.05991	1.3
161.09633	0.8
173.05878	0.7
173.09631	0.9
176.07050	0.8
177.09129	1.1
178.08649	75.2
179.07207	0.7
179.08899	1.1
187.07555	1.2
188.07051	2.2
201.09218	0.8
206.08144	100.0
207.08434	1.3
217.08643	0.7
224.09277	4.5
229.08670	0.8
229.12358	0.7
233.09679	1.1
251.07750	0.6
262.10825	3.1
267.75928	0.6
325.44717	0.7
408.07660	0.8
448.19595	9.6
458.60416	0.7
493.00171	0.6
576.20776	2.2
618.21692	2.7
636.22711	2.2
660.22870	4.7
678.23938	52.2
679.24396	3.1
696.24878	9.4
696.35449	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.2778
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.6
53.61866	0.5
55.05503	0.7
59.78362	0.6
67.05482	0.9
69.03413	0.6
70.54684	0.7
70.55030	1.8
79.05487	1.6
80.05036	0.8
83.04971	0.6
85.02879	1.1
87.00829	0.7
91.05486	1.6
93.07043	1.7
94.06550	2.1
95.07351	1.1
96.08147	3.2
97.06530	1.0
98.20783	0.6
103.05454	1.0
108.08133	2.3
110.06068	1.2
110.09692	4.1
116.04983	1.6
119.08572	0.7
120.08124	2.4
121.72149	0.6
122.06042	4.4
124.07638	3.7
131.04941	1.6
136.07602	4.1
137.05972	0.7
138.09154	5.2
143.08527	0.7
144.04442	4.7
146.06004	2.4
148.07553	1.7
150.05524	2.2
150.47725	0.6
152.07072	2.5
158.09679	1.2
160.07564	1.4
162.05548	1.0
164.07129	0.9
166.08669	5.6
167.07071	1.6
172.03955	19.4
172.07625	0.9
175.08771	1.2
175.12344	0.9
185.10791	0.6
186.09178	5.6
187.08728	1.4
188.09421	0.9
190.05014	5.1
198.09346	0.8
200.10760	1.8
201.10262	1.2
202.08849	0.7
202.11011	3.4
203.11833	7.2
204.06593	23.5
205.06898	0.8
213.10255	2.1
214.08664	10.4
215.08199	5.5
216.08762	0.7
217.09744	1.3
220.09691	1.4
225.10243	1.0
227.08165	0.9
227.11830	1.3
228.10216	4.3
229.09778	1.7
230.10512	2.1
231.11331	6.0
237.10316	1.8
239.11778	0.8
241.09683	2.2
242.08144	2.0
245.09334	0.7
245.12987	1.4
247.10822	1.3
251.08205	1.6
253.09644	0.7
255.11330	5.6
256.09735	3.4
257.12946	2.0
259.10812	82.6
260.11282	1.4
265.09744	3.1
267.11435	0.8
271.10782	1.2
273.12402	7.5
277.09705	0.7
279.11389	1.2
283.10745	4.7
287.10358	1.1
289.11813	1.0
293.09149	0.8
295.10834	2.4
297.12286	1.2
299.13846	0.8
301.11871	61.9
302.12164	1.9
311.10205	3.2
319.12924	100.0
320.13336	1.6
321.08752	1.0
325.11804	4.7
333.14575	7.7
335.12482	0.8
337.13995	18.8
339.09702	7.6
339.13266	0.7
341.14105	0.8
357.10760	1.7
357.14682	2.3
371.12360	10.5
434.16986	0.9
442.17148	0.8
458.17523	0.7
460.19177	1.0
476.18011	0.9
486.16812	1.5
492.18048	1.3
496.17276	2.2
504.17828	3.8
522.18866	1.8
536.20282	2.7
625.23224	1.0
643.24207	0.7
657.25604	1.6
675.26807	8.5
676.26599	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.2769
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99248	0.7
53.03946	1.3
55.01863	1.2
56.97356	0.7
67.05516	1.3
69.03424	1.8
69.07093	0.8
70.06589	1.1
71.24957	0.7
79.05499	1.1
80.37576	0.8
81.03436	1.9
81.07053	1.1
82.06564	0.9
84.08111	0.9
85.00062	0.7
85.02885	1.8
85.06527	0.8
86.09727	0.7
87.00845	1.1
91.05481	2.3
91.31586	0.8
93.07049	2.2
94.06571	2.6
95.07369	1.6
96.08139	2.5
97.02882	0.9
97.06538	1.4
103.05478	1.1
107.08595	1.1
108.04497	1.7
108.08112	2.2
109.06567	0.9
110.06029	1.1
110.09681	3.4
116.04967	1.3
119.08532	0.9
120.08118	2.8
120.11005	0.7
121.10205	1.0
122.06053	4.6
124.07590	4.1
127.03960	1.2
129.07004	1.3
131.04959	3.9
131.07274	0.8
133.10175	0.9
136.07588	4.3
137.06027	0.9
138.09131	5.5
140.07053	0.8
144.04442	3.8
145.09991	1.1
146.06000	2.5
148.07556	1.1
150.05528	1.5
152.07059	2.8
160.07562	2.2
162.05565	2.2
164.07179	1.3
166.08643	6.1
167.07056	3.3
172.03941	19.3
172.07558	1.0
175.07542	1.9
175.12320	1.1
186.09152	5.3
188.09500	1.0
190.05067	4.2
191.07039	1.5
196.07683	1.3
200.10725	1.7
201.10242	1.8
202.08791	0.8
202.11055	3.6
203.11794	6.3
204.06569	25.1
212.09322	1.3
213.10226	3.0
214.08687	11.8
215.08322	4.7
216.08948	1.0
217.09891	1.6
227.11839	1.6
228.10182	4.2
229.09689	3.2
230.10583	2.7
231.11369	6.0
237.10242	1.6
241.09732	3.7
242.08089	2.6
243.11241	1.0
245.09357	0.9
245.12823	1.2
247.10822	1.7
255.11244	4.9
256.09714	2.7
257.09235	1.2
257.12833	2.2
258.09879	1.0
259.10797	83.8
260.11255	2.2
265.09726	2.1
271.10724	1.2
272.11676	1.1
273.12369	9.4
279.11264	1.2
283.10709	4.3
289.11789	1.6
295.10748	2.0
297.11996	0.9
301.11844	57.9
302.12189	1.8
309.11237	1.1
311.10226	2.6
319.12897	100.0
320.13077	2.0
321.11700	1.4
325.11731	5.2
333.14441	15.7
337.10739	0.9
337.13956	20.3
339.09665	5.5
341.14008	2.6
351.15674	1.9
352.92221	0.9
357.10568	1.4
357.14740	1.8
357.20831	0.8
371.12399	7.0
430.17859	0.9
486.16565	1.1
496.17023	1.3
504.17850	2.1
522.18481	1.5
536.20203	3.2
537.20428	0.9
643.23077	0.8
647.26978	1.1
657.25171	1.4
675.26758	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	692.3855
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	11.3
57.03439	8.9
61.02931	3.1
65.03920	1.7
67.05177	3.0
67.05511	34.4
69.07079	16.7
69.75701	2.0
69.78071	1.6
71.03133	2.4
71.03436	2.1
71.05005	4.0
79.05499	23.5
81.03425	4.7
81.07063	88.6
83.04986	9.3
83.08627	8.2
85.02905	4.3
85.06543	4.8
89.81815	1.6
91.05492	27.0
93.07050	19.5
95.04959	5.8
95.08062	2.3
95.08624	21.9
97.02903	2.7
97.06537	7.6
97.10159	2.0
99.08112	4.1
101.06018	3.0
103.12653	1.6
105.07040	36.8
105.07700	3.2
107.04975	3.7
107.08618	17.0
109.06522	6.3
109.10155	3.0
115.56271	2.1
119.08585	31.0
121.10157	23.8
121.11574	1.8
123.08083	6.3
123.11726	35.8
127.07548	3.0
129.07016	2.8
131.08589	2.3
133.10153	4.8
135.11661	2.7
137.13271	3.3
141.09155	3.4
145.10124	4.7
147.11707	82.7
149.09624	1.7
149.13306	2.5
163.11308	2.6
165.12767	31.6
175.11191	2.7
183.13821	3.6
193.12379	2.9
229.14308	5.5
248.36847	1.6
267.15942	81.5
269.17407	3.2
285.16995	100.0
286.17349	1.9
316.03915	1.7
386.38358	1.7
389.84366	1.7
459.27521	3.1
477.28568	23.5
495.29587	76.9
584.14056	1.9
629.91815	1.7
639.33606	2.3
692.26263	2.6
693.33240	1.9
695.51416	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	691.4415
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	7.0
55.01867	10.3
55.05516	31.3
57.03429	11.2
59.05004	4.6
67.05510	83.5
69.03444	26.0
69.07067	28.8
70.74112	10.3
70.74435	6.6
71.04987	10.4
78.77916	5.2
79.05506	47.0
81.03419	61.7
81.07063	100.0
83.05000	20.8
83.08617	14.2
85.02919	5.5
86.09760	4.5
91.05495	35.4
93.07053	76.9
95.04974	17.9
95.08608	54.7
97.02886	17.8
97.06551	11.1
97.10172	5.6
98.98486	4.7
99.04449	6.3
105.07036	27.9
107.04985	7.0
107.08604	42.1
109.02851	7.8
109.06513	11.1
109.10147	21.2
111.04443	5.7
117.07020	20.6
119.08591	26.6
121.06528	4.2
121.08482	5.2
121.10198	22.4
123.08114	5.2
123.11701	13.3
129.05476	10.5
129.07014	10.4
131.08592	27.8
133.10168	23.0
135.11679	26.1
143.08539	7.9
145.06506	5.5
145.10146	14.6
147.11684	19.0
149.09546	4.9
149.13235	13.8
157.10068	11.4
159.11707	21.9
161.09608	4.9
161.13324	11.1
169.10088	7.7
171.11726	8.8
173.13155	6.9
177.12723	5.4
187.14839	5.1
195.13838	18.0
197.13388	5.8
248.53844	4.6
259.20676	7.1
267.15720	9.1
269.17456	31.8
274.12408	4.1
301.21744	8.4
335.25778	10.1
337.27313	7.7
351.23007	5.0
369.24246	12.5
413.21777	6.9
529.38702	16.3
613.76135	4.8
673.42523	14.5
691.31549	6.6
691.43231	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	692.3855
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.3
55.01872	2.9
55.05264	2.0
55.05513	19.9
57.03443	15.9
59.04998	1.4
61.02921	4.0
65.03942	1.8
67.05511	29.8
69.03443	7.7
69.07071	8.1
71.04987	5.4
73.02928	1.8
79.05499	29.7
81.03426	82.2
81.07066	35.2
83.04980	20.3
83.08624	25.6
85.02912	34.1
85.06522	3.9
87.04468	1.6
88.31604	1.3
91.05489	43.1
92.54763	1.4
93.07047	20.9
95.04980	29.5
95.08603	13.7
97.02895	6.1
97.06520	4.4
97.10175	4.8
105.07048	26.6
107.04967	7.6
107.08614	9.5
109.06516	5.2
109.10165	2.5
111.04466	3.0
111.08099	13.4
113.06031	2.3
117.06990	3.3
119.08597	19.6
121.06544	2.8
121.10167	11.0
123.08090	3.4
123.11724	2.3
125.09623	3.1
129.07019	14.3
131.04898	3.0
131.08588	13.5
133.06479	3.0
133.10158	14.7
142.07774	2.0
145.06519	1.7
145.10110	2.3
147.08037	3.9
147.11694	17.0
149.09654	11.0
157.10146	20.5
163.11197	1.8
165.12740	2.8
175.11188	18.1
193.12267	61.4
211.13307	100.0
212.13727	1.4
215.08565	1.4
241.05136	1.5
267.15930	40.4
268.16220	1.5
283.26999	1.5
285.16986	87.1
286.17084	1.4
367.22720	4.4
385.23465	3.7
403.24762	1.7
433.25809	1.5
459.27551	19.5
477.28571	29.0
495.29605	66.6
496.30026	1.8
662.76367	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.4417
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	10.7
54.23419	3.2
55.01852	5.2
55.05510	30.1
57.03427	14.2
58.48324	3.2
59.04985	9.1
64.73562	2.6
65.03923	3.6
67.05509	78.2
69.03426	22.4
69.07072	23.9
71.04977	6.9
77.78939	3.0
79.05073	4.3
79.05499	57.9
79.05924	2.7
80.33223	3.0
81.02991	4.4
81.03426	46.5
81.06598	5.4
81.07059	100.0
83.04983	31.1
83.08607	10.9
85.02888	7.3
87.04462	3.0
90.13853	3.6
91.05483	37.2
93.07057	77.5
95.04967	10.6
95.08609	52.3
97.02895	13.7
97.06541	8.0
97.10182	3.2
98.21526	7.9
99.04447	5.8
105.07040	30.3
107.04933	7.8
107.08598	32.8
109.02838	4.4
109.06513	4.2
109.10147	14.5
111.04445	8.8
111.08064	6.5
117.07027	14.6
119.08579	26.5
121.06484	5.1
121.10166	21.2
123.11705	9.1
127.03904	10.1
128.06142	4.2
129.05473	13.6
129.07068	4.4
131.08568	20.9
133.10129	22.2
135.11725	19.5
143.08582	7.0
145.06570	3.6
145.10097	10.8
147.11710	18.9
149.13231	24.2
155.08533	7.9
157.10135	6.3
158.57486	3.1
159.11713	17.1
161.13235	6.3
171.11659	5.9
173.13329	7.0
185.13246	5.9
187.14737	3.7
190.13303	3.0
195.13794	14.5
229.06013	3.6
243.20973	4.3
259.20685	4.8
267.15970	6.9
269.17578	16.8
270.95773	2.9
335.25827	39.7
337.27130	3.8
339.17966	6.9
351.22919	4.4
369.24512	5.4
413.21677	9.9
437.33151	4.1
446.75034	3.5
529.39075	56.2
673.42615	9.1
691.43439	14.5
695.77771	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	691.3876
Annotation	11-Demethylconoduramine
Peak:m/z	Relative Intensity
55.05503	0.4
67.05498	1.0
69.50374	1.8
69.50795	1.0
72.87666	0.4
79.05499	0.4
81.03416	0.8
81.07061	0.8
91.05493	1.1
92.14599	0.4
93.07053	0.6
95.08611	0.6
96.71066	0.4
104.28938	0.5
105.07077	0.6
106.33446	0.4
107.08611	0.4
109.10203	0.7
116.78387	0.4
119.08611	0.6
121.10152	0.5
129.83784	0.4
148.26357	0.4
152.27925	0.4
173.04616	0.4
193.12100	0.5
259.07965	0.4
347.09488	0.8
373.84576	0.5
379.92215	0.4
427.37695	0.4
529.33508	18.8
530.33490	0.7
545.22894	0.5
573.22028	1.2
604.23871	0.8
632.22882	1.1
691.38751	100.0
692.39252	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.4029
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.0
55.05508	1.3
57.03447	2.2
59.05019	0.5
61.02930	6.5
67.05176	0.7
67.05511	7.9
69.03438	3.0
69.07065	1.3
69.30218	3.4
71.04991	0.8
73.02920	3.7
79.05506	3.2
81.03410	2.3
81.07059	4.8
83.04964	0.7
83.08618	0.6
85.02903	5.1
85.06528	0.4
91.03976	3.1
91.05469	2.4
93.07056	3.8
95.04967	0.4
95.08617	2.9
97.02898	5.3
99.04465	1.0
101.02412	1.5
105.07010	0.9
107.08611	1.7
109.02890	0.7
109.10155	5.0
111.08078	0.6
115.03947	0.7
119.08612	1.2
121.10180	1.5
125.32113	0.4
127.03933	1.4
131.08606	1.1
133.10118	0.5
135.11717	0.7
145.10187	0.5
147.11780	0.6
149.13235	0.5
173.11777	0.5
185.04248	0.8
195.10132	0.6
229.14384	0.9
243.08522	1.8
335.25885	0.4
355.20654	0.4
381.68286	0.4
413.17813	4.4
467.85678	0.5
519.29382	8.5
519.37018	0.5
543.17389	0.4
550.41797	1.8
691.40283	100.0
692.40729	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	691.4029
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.7
54.80396	0.3
55.05511	0.8
57.03455	1.9
57.89276	0.4
58.15411	0.3
59.05010	0.6
61.02929	5.5
64.90484	0.3
65.03938	0.4
67.05508	8.9
67.68388	0.4
68.41450	0.3
69.03439	3.3
69.07072	1.1
69.29929	1.5
69.30362	1.3
71.01353	0.4
71.04996	0.4
73.02920	3.8
79.05497	1.8
81.03423	1.4
81.07056	3.6
83.08630	0.9
85.02908	4.8
87.04446	0.4
91.03957	3.4
91.04955	0.3
91.05508	1.4
93.07051	2.5
95.08623	2.6
97.02901	4.2
97.06547	0.5
97.10185	0.5
98.20817	0.7
99.04453	1.0
101.02394	1.8
105.07044	0.9
107.08606	1.1
109.02899	0.9
109.10175	6.5
119.08602	0.8
121.10194	1.2
127.03951	1.2
131.08632	0.4
133.10172	0.6
135.11719	0.6
137.09666	0.6
155.10707	1.0
173.11754	1.3
195.09900	0.4
221.83025	0.3
227.87212	0.4
229.14449	0.8
232.25882	0.3
243.08391	1.8
278.73804	0.3
381.87561	0.4
413.17877	9.6
519.29419	5.4
519.55518	0.4
550.42053	0.9
691.40295	100.0
692.40674	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	690.434
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.5
55.01867	1.0
55.05515	11.5
57.03427	1.8
57.07078	2.5
58.09237	0.4
59.05008	1.2
61.02914	0.8
65.03942	1.0
67.05507	28.7
69.03423	0.6
69.06693	0.8
69.07072	15.8
69.71079	2.3
71.04975	2.3
71.08627	0.9
73.02926	1.3
73.06577	0.6
79.05496	9.6
81.03430	0.9
81.07060	28.6
83.04981	2.0
83.08153	0.9
83.08624	13.4
85.02918	1.0
85.06543	1.3
91.05483	4.6
93.07048	15.8
95.04983	0.6
95.08614	18.2
97.02895	1.0
97.06541	6.2
97.10172	3.3
98.20828	0.6
98.98463	1.4
99.08080	0.6
105.07027	3.7
107.08596	9.8
109.10160	7.0
111.08090	3.7
115.07607	0.6
117.07024	1.5
119.08546	3.0
121.10149	5.5
121.87788	0.4
123.11705	3.2
125.09636	1.6
125.13313	1.0
129.09084	0.7
131.08594	2.0
133.10103	2.4
135.11671	3.0
136.38765	0.4
141.57353	0.5
145.41719	0.4
147.11700	1.3
149.13268	15.1
155.01038	0.6
155.31232	0.4
159.11678	3.3
161.13347	1.0
163.14845	0.6
167.14299	5.7
177.12784	1.7
184.07387	0.6
195.13905	1.1
213.14868	0.9
231.15924	12.3
238.17940	2.6
239.19189	0.5
245.22656	0.7
256.19046	2.9
263.23782	2.0
269.17499	12.4
287.18585	2.2
306.27948	0.9
312.21674	0.6
337.27490	1.4
413.17465	0.6
482.32730	0.6
519.29535	0.7
549.41522	100.0
550.41949	5.0
574.44476	1.4
650.53387	0.5
690.42822	0.6
691.40338	14.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.426
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	15.3
55.01876	6.0
55.05517	29.4
55.91362	2.1
57.03432	10.1
57.07067	3.2
60.46554	2.5
65.03924	6.6
67.05508	86.0
69.03432	33.4
69.07073	25.2
71.04990	12.4
71.31924	3.3
75.28020	2.1
77.03955	3.1
79.05501	80.0
81.03424	100.0
81.07067	69.9
83.04989	23.5
83.08620	24.1
85.02911	20.3
85.06554	5.5
86.95586	2.5
91.05485	60.9
91.06030	4.4
93.06479	5.0
93.07052	77.0
95.04975	37.2
95.08617	36.2
97.02891	21.4
97.06531	9.1
97.10172	6.5
99.04468	6.7
100.48204	2.2
103.05449	3.7
105.04534	3.5
105.07035	52.1
107.04971	9.6
107.08598	31.6
109.02888	22.9
109.06531	8.1
109.10159	17.5
111.04434	13.3
111.08105	11.9
115.05452	3.6
117.07021	20.4
119.08586	39.4
121.06496	4.8
121.10156	28.8
123.04469	2.5
123.08123	3.6
123.11705	6.6
125.09650	2.6
127.03932	10.4
128.06213	5.8
129.06979	15.3
131.08586	29.3
133.06491	4.3
133.10129	27.7
135.08060	4.1
135.11717	13.9
137.09552	3.1
141.06956	3.2
142.07829	6.0
143.08589	9.0
145.10132	19.0
147.08044	7.3
147.11697	27.0
149.09601	6.5
149.13271	7.0
153.12770	2.6
155.08575	5.8
157.10112	21.3
159.08125	2.2
159.11763	11.3
161.06004	3.9
161.13268	5.8
163.11182	7.0
163.14876	3.2
165.12753	8.4
169.10117	4.5
171.08167	3.4
171.11702	8.3
173.04515	5.6
173.09616	3.4
173.13295	5.3
175.11234	12.1
181.10126	3.5
181.12289	4.7
183.11731	5.3
185.13242	5.3
187.11244	3.1
187.14836	3.7
189.12778	2.9
191.10658	3.6
193.12248	40.2
201.12804	2.9
205.12241	2.8
211.11382	2.5
211.13292	67.8
215.14311	2.2
223.46112	2.7
227.12756	5.8
229.14291	2.9
235.13179	3.2
253.45117	2.4
259.20505	3.1
261.22116	6.9
264.52747	2.4
267.15875	9.9
285.16904	9.5
319.87863	2.5
335.25916	13.8
337.16644	4.3
351.23260	4.5
355.17590	8.2
369.24225	9.5
387.25311	4.0
411.20114	5.9
443.27878	3.4
445.84668	2.8
461.28912	4.3
527.37244	9.7
545.38239	7.6
548.40503	12.6
569.38409	3.8
653.40167	5.1
671.41516	8.5
689.42725	68.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.4269
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40463	3.1
50.67219	2.5
53.03959	13.5
54.38398	2.8
55.01863	8.8
55.05520	27.3
57.03446	13.7
65.03941	8.7
67.05515	76.9
69.03439	30.0
69.07081	26.5
71.04994	10.2
72.85713	2.6
77.03962	3.0
77.44331	2.7
79.05500	63.7
81.03430	100.0
81.07066	74.8
83.04994	24.9
83.08630	19.8
85.02906	15.1
91.05496	61.4
93.07061	62.8
94.07422	3.0
95.04983	38.5
95.08624	43.0
97.02899	22.4
97.06535	10.6
97.10167	7.6
105.04545	3.2
105.07041	53.2
105.69901	2.9
107.04959	11.2
107.08606	35.0
109.02898	16.2
109.06527	10.7
109.10170	14.2
111.04464	10.8
111.08090	10.3
115.05489	4.6
117.07034	19.3
119.08591	35.1
121.06519	7.5
121.10164	26.4
123.04454	8.3
123.11716	8.8
125.05988	2.7
125.09642	5.3
126.50162	3.0
127.03922	11.4
128.06181	4.0
129.07013	17.3
131.04865	3.2
131.08582	37.4
131.22800	2.5
133.06488	7.7
133.10164	27.2
135.08073	5.9
135.11743	14.9
138.84718	3.0
141.07048	3.5
142.07800	4.4
143.08595	14.3
145.06514	7.8
145.10139	17.7
147.08075	6.3
147.11682	30.1
149.09709	3.3
149.13348	6.0
155.08603	6.2
157.06500	4.2
157.10158	12.9
159.08104	3.0
159.11720	11.5
161.09726	3.5
161.13275	5.0
163.11221	8.2
165.12762	6.9
167.08543	3.5
169.10168	6.5
171.11707	8.9
173.04475	8.9
173.13280	8.8
175.11195	11.0
181.10130	5.5
183.11676	5.5
185.13307	6.7
187.11267	3.4
189.12735	4.6
191.10677	7.3
193.12277	42.5
197.13300	4.2
199.14857	4.7
211.11295	4.9
211.13324	44.2
220.37445	2.8
227.12720	5.0
229.14337	4.5
235.13260	3.8
236.96117	3.1
243.48715	2.7
259.20609	4.2
261.22260	5.4
267.15948	10.0
267.18658	2.8
273.15024	5.4
277.21713	3.5
285.16983	10.0
289.21951	3.0
295.20908	3.3
296.27054	2.8
301.14453	5.7
309.22900	3.0
335.25797	20.9
337.16391	6.1
355.17606	5.6
369.24326	10.3
373.25403	2.5
387.25381	3.6
405.26248	4.2
411.20197	9.5
443.28287	4.0
461.29214	5.3
527.37244	9.1
545.38196	5.5
569.37695	3.0
611.24176	3.9
653.40234	7.9
671.41284	8.1
689.29980	3.6
689.42682	56.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.2455
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	1.4
61.86452	1.0
63.58047	1.1
67.05498	2.4
69.03435	1.1
69.07064	1.0
77.63693	0.9
79.05492	2.0
81.03432	1.6
81.07045	2.9
83.05022	1.1
89.06005	1.4
91.05482	2.5
93.07051	3.0
95.08606	1.9
98.21620	2.1
105.07009	2.1
107.08629	1.2
109.10162	1.2
121.10134	1.6
133.08543	1.2
133.10098	1.0
147.11617	1.2
157.10176	1.3
174.38074	0.9
184.07310	1.3
188.15237	0.8
302.30911	1.0
322.61218	1.1
354.36969	1.0
369.37503	1.0
384.12048	2.4
385.12985	5.0
386.14218	1.5
397.13242	1.5
398.13699	7.5
399.14566	10.7
400.15479	19.0
401.16101	2.8
411.14877	2.2
412.15463	8.8
413.16150	19.2
414.17059	12.3
423.14749	1.5
424.15427	1.4
425.16336	1.2
426.16888	3.6
427.18369	14.5
428.18536	16.4
429.19455	14.2
440.14520	1.6
441.14893	6.4
442.16357	13.1
444.14267	2.3
445.14386	1.4
455.17139	29.7
456.17789	15.6
458.15994	2.7
459.16745	6.3
460.16986	1.5
466.11682	1.1
469.15048	3.1
471.17096	1.8
472.18011	1.2
473.18176	1.5
479.13333	1.1
481.15054	1.4
482.15634	1.7
483.16690	27.7
484.16266	8.9
487.15790	3.0
488.16510	4.3
495.16412	2.1
496.17670	1.3
499.15897	7.6
500.16235	1.7
511.20151	2.7
513.13837	1.2
515.18933	1.9
523.16223	3.0
527.15625	27.6
528.15771	17.2
529.15894	1.5
537.18085	1.1
539.19202	11.6
540.20410	1.2
543.22498	17.7
555.18286	1.2
569.20703	1.2
571.21936	100.0
572.22449	8.5
574.24164	6.8
586.20227	1.9
587.20740	3.4
601.23260	9.2
602.23804	34.2
603.23663	2.1
614.19470	2.1
615.20807	4.9
617.25653	3.2
629.22449	35.5
630.22797	60.5
631.22369	4.3
633.25482	1.9
643.23322	1.4
657.21954	61.6
658.21967	4.0
661.24756	5.2
662.25391	1.3
689.24603	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	688.4187
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09285	0.7
53.03935	2.4
55.05515	10.8
57.03426	0.9
57.07074	2.9
57.42352	0.7
60.75752	0.7
63.18788	0.7
63.97482	0.7
65.03917	0.9
67.05179	1.3
67.05508	15.7
67.64606	0.8
69.03418	0.8
69.07072	13.1
71.04990	1.7
71.08634	2.0
73.06594	1.0
73.97078	0.7
79.05497	17.9
79.81579	0.6
81.06590	1.4
81.07059	19.2
83.04974	1.3
83.08624	13.0
85.06537	1.7
85.10189	0.9
86.09660	0.7
87.04539	0.9
89.06036	0.8
91.05488	8.1
93.07045	24.4
95.04975	2.3
95.08613	12.5
97.06522	5.9
97.10174	3.3
98.98496	0.8
105.07028	4.9
107.08587	13.3
109.06570	0.9
109.10176	4.5
111.08101	4.7
117.07024	2.0
119.08596	4.0
121.10149	8.0
123.08074	0.9
123.11742	1.6
125.09608	1.6
125.13321	1.1
127.95649	0.8
131.08582	3.3
133.10094	4.0
135.11673	4.2
145.10136	2.0
147.11681	1.8
149.13271	15.0
159.11722	3.3
161.13258	1.2
165.31967	0.8
167.14368	5.5
177.12804	1.8
183.83760	0.8
184.07370	0.8
195.13713	1.3
231.15903	11.7
238.18080	3.0
243.21231	0.9
256.19128	2.6
261.22226	2.0
269.17438	9.6
287.18561	2.2
304.26431	0.9
317.24792	1.1
335.25839	1.7
493.98788	0.8
494.91714	0.8
547.39972	100.0
548.40375	2.7
572.42908	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.3024
Annotation	Unknow
Peak:m/z	Relative Intensity
55.61388	0.9
67.05497	1.0
69.23745	10.3
70.99883	0.9
105.26402	1.0
120.08134	1.3
130.06538	1.0
144.08066	1.3
195.09224	1.7
196.09985	1.1
197.10837	1.7
199.08807	1.5
200.07149	1.0
207.09193	1.5
208.11388	1.2
209.10744	6.5
210.11504	1.8
211.08743	2.0
211.12297	3.1
213.10275	1.4
220.09717	1.3
221.10715	1.3
222.11565	3.5
223.08737	2.5
223.12221	6.2
224.13081	4.4
225.10370	1.2
225.13905	3.2
232.09714	1.8
235.08722	1.5
235.12411	1.5
236.09401	1.3
236.13058	1.9
237.10219	3.8
237.13863	16.7
238.14594	8.2
239.15450	5.6
241.09773	1.9
250.11169	1.4
251.11893	1.9
252.12575	1.9
253.13403	3.3
255.11145	1.7
263.11954	1.4
265.13348	10.0
266.14145	3.9
267.14966	4.7
273.12341	3.0
277.12973	1.4
281.09244	1.1
285.12381	1.2
286.13400	3.1
297.12296	2.9
302.16605	1.4
309.15842	1.1
313.15802	1.2
314.13089	1.3
314.16522	2.4
315.13412	2.8
325.15506	11.3
326.16254	2.2
327.17133	4.2
328.14542	1.2
328.18179	1.7
335.13586	1.2
336.14590	1.7
340.14493	1.5
343.13000	2.3
358.15408	1.5
376.16296	1.9
388.20386	1.5
395.18790	1.6
400.16486	1.9
402.21918	1.7
404.23462	1.3
407.18988	2.6
418.17865	1.4
419.18802	1.5
423.18097	1.5
430.21432	1.6
433.20145	1.7
437.19794	1.8
438.20502	2.4
450.20651	1.3
451.21179	2.9
461.19846	1.6
463.21649	1.7
474.19962	1.3
475.21698	1.3
481.22321	2.8
490.22894	2.2
491.24335	2.6
497.25375	3.3
506.20697	1.2
507.23572	4.2
509.21780	1.5
511.23624	1.9
517.22528	1.1
521.25165	1.7
523.24280	1.3
524.23846	2.0
525.25262	5.6
533.21960	1.3
535.23309	1.3
538.23126	1.3
540.27393	1.3
549.24969	3.0
551.23505	1.2
552.23834	1.4
553.24286	2.3
565.24316	2.7
567.25562	3.3
568.26770	1.6
577.22217	1.5
579.26740	2.6
585.27032	1.9
595.25317	4.2
608.22504	3.5
609.24060	22.7
623.25061	13.3
625.26392	2.9
626.24115	2.1
627.28088	36.6
628.28577	2.6
637.26208	5.4
643.27307	2.3
645.25085	1.4
651.24060	3.8
655.27631	100.0
656.27771	3.7
669.25623	4.0
687.29059	9.1
687.40533	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.4472
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23211	0.9
53.03952	2.0
55.05511	12.1
57.03443	11.9
57.07066	2.9
59.04993	2.9
61.02911	3.8
65.03939	3.1
67.05505	100.0
69.03423	2.2
69.07058	7.2
69.30833	5.6
69.31261	3.0
71.05001	2.7
71.08616	1.0
73.02914	1.1
79.05494	21.6
81.03407	1.1
81.06590	2.2
81.07058	39.8
83.08609	8.4
85.02910	5.2
85.06547	2.5
91.03947	1.8
91.05482	13.8
93.07042	27.1
95.04964	1.8
95.08611	25.0
97.02884	2.5
97.06523	1.5
97.10168	2.5
105.07053	8.8
107.08598	13.6
109.10155	76.7
111.08060	2.3
117.07009	4.7
119.08575	12.2
121.10137	9.0
123.11692	3.4
125.09632	1.3
131.08574	5.2
133.10114	6.4
135.11697	6.9
137.09610	3.4
145.10118	4.5
147.11671	2.5
149.13293	3.7
155.10666	10.2
159.11725	4.6
161.13251	2.2
163.14767	3.1
173.11740	16.6
173.13240	4.0
227.12691	5.2
229.14351	95.0
230.14613	2.2
243.21100	6.1
253.93530	1.0
259.20490	1.1
260.51480	1.0
261.22144	19.8
317.24716	3.4
335.25797	83.3
336.26196	2.6
397.30957	1.4
489.35757	60.9
490.36307	2.6
507.36792	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	687.2669
Annotation	Taxinine M
Peak:m/z	Relative Intensity
60.23585	4.6
67.05530	5.2
69.86242	4.9
73.43073	4.5
79.05469	4.8
79.97004	4.9
81.07065	6.1
91.05443	4.9
93.07046	5.1
94.06603	5.1
105.07019	5.3
119.08616	5.1
128.97527	4.0
192.00139	4.2
221.10765	5.3
235.12308	4.3
240.99809	4.4
241.02339	4.4
253.13351	6.5
276.41388	4.5
462.17438	7.4
482.23502	6.2
494.19247	11.0
504.97644	5.5
521.22095	7.0
523.22864	6.7
537.25543	5.5
565.23785	10.9
583.25323	7.8
594.40515	5.4
608.22656	11.7
609.23468	100.0
615.27466	8.1
623.25122	57.7
625.26465	18.2
626.24103	9.6
627.25848	12.1
643.27435	9.9
645.25293	7.1
651.23956	11.2
669.25360	18.2
687.27008	14.6
687.38544	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	686.4481
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46224	0.8
53.03940	1.3
55.05520	11.7
56.83112	0.8
57.03445	12.0
57.07074	2.1
59.04996	3.7
61.02944	4.7
64.43392	0.8
65.03928	2.1
67.05515	100.0
69.03436	2.0
69.07085	8.1
69.26189	6.9
69.26614	1.8
71.04995	3.5
73.02926	1.5
79.05504	17.2
79.05954	0.8
81.06593	1.8
81.07068	36.1
83.08636	6.8
85.02921	4.3
85.06551	2.7
91.03938	1.9
91.05491	12.1
92.55858	0.9
93.07058	25.0
95.04962	1.0
95.08622	25.8
97.02895	2.4
97.06527	1.3
97.10188	2.2
105.07031	7.4
107.08593	12.9
109.10174	75.2
111.08058	3.2
117.07014	2.6
119.08591	11.0
121.10165	9.7
123.11720	4.2
125.09624	1.6
131.08612	5.3
133.10123	6.0
135.11717	6.7
137.09624	3.7
137.13255	1.5
145.10150	4.1
147.11710	3.5
149.13272	4.3
155.10681	11.1
159.11719	1.8
161.13278	4.3
163.14827	3.2
173.11781	17.0
173.13275	2.6
187.14854	1.7
198.13869	0.9
227.12744	4.5
229.14391	96.7
243.21083	5.5
261.22144	15.0
317.24756	3.7
335.25845	69.0
336.26044	1.5
378.55380	1.1
379.30164	1.1
415.32062	1.1
471.34677	1.2
489.35834	36.7
507.37323	2.1
528.89935	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.39
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	1.0
57.07084	7.5
58.06609	2.3
61.39653	0.7
69.07068	0.9
70.06595	19.5
71.08642	3.6
71.51852	1.3
81.07068	1.4
83.93520	0.9
85.10174	1.0
88.07642	22.4
91.05817	0.9
102.09181	16.9
102.09805	1.4
129.23268	0.9
149.02347	42.6
175.03893	2.0
175.91791	0.7
177.05588	1.2
181.96634	0.8
193.04982	48.3
219.06656	2.0
237.07590	14.5
256.44342	0.9
269.04498	1.2
284.29480	46.7
297.03983	2.4
313.07169	2.2
341.06552	12.1
359.07620	7.6
385.09189	21.5
429.11835	32.2
430.12201	1.0
637.26727	1.1
668.37982	1.7
669.28949	1.0
686.39044	100.0
687.39368	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	686.4324
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	4.6
57.03430	2.1
57.07080	33.1
57.15477	0.7
59.04972	0.7
61.02654	0.8
61.02932	13.1
67.00397	0.6
67.05502	8.8
69.03421	0.9
69.07079	5.1
70.81012	0.9
70.81364	1.5
71.04974	0.8
71.08635	29.0
73.02934	5.1
75.04458	2.5
79.05511	0.7
81.03425	1.2
81.07053	13.9
83.08614	11.3
83.39893	0.7
85.02908	16.1
85.09675	0.8
85.10188	17.4
91.03957	11.4
95.08611	21.8
96.08933	0.8
97.02898	8.3
97.10178	8.4
99.04460	0.7
99.11671	1.0
106.06367	0.6
109.10159	11.0
111.11722	2.5
123.11718	4.7
127.03919	5.0
132.45087	0.6
135.11658	0.9
137.13248	2.7
145.04965	8.2
151.14845	1.5
163.06029	10.3
164.58426	0.6
167.83685	0.6
184.07471	0.8
197.73755	0.6
235.24260	0.7
253.25273	23.1
253.27969	1.5
271.26389	4.4
296.06317	0.6
327.28940	100.0
328.29337	1.6
345.30011	30.9
345.34213	1.6
346.30563	0.8
464.45306	0.8
635.06122	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	684.3442
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.0
55.05515	2.3
57.03429	1.5
57.07076	0.4
59.05006	0.4
61.02926	1.6
65.03938	0.6
67.05496	1.3
69.03434	4.3
69.07073	6.2
71.01344	0.6
71.04990	0.4
73.02921	6.6
79.05489	1.1
81.03402	1.0
81.07069	1.7
83.08619	0.9
85.02913	9.2
87.04468	0.4
91.03976	0.3
91.05481	5.2
93.07050	1.7
95.04979	0.3
95.08605	4.2
97.02297	0.5
97.02901	7.8
99.04404	0.7
103.03967	0.5
105.07040	7.7
107.04941	0.3
107.08620	2.5
109.02869	0.8
109.10160	3.1
113.02367	0.4
115.03938	2.7
117.07069	0.7
119.04959	5.2
119.08590	32.5
120.08908	0.6
121.10154	1.9
127.03932	2.8
129.06993	0.3
131.04921	0.5
131.08553	1.2
133.04980	3.2
133.10139	27.6
134.10435	0.3
135.11719	1.9
137.09633	1.0
138.05402	0.5
145.04979	3.8
145.10153	1.7
147.04419	26.3
147.11684	4.6
148.04759	0.8
149.13237	0.3
154.15695	0.3
159.11639	0.4
160.07533	0.4
160.12489	1.0
161.13228	0.5
163.06033	1.2
165.05502	0.3
167.07019	0.4
171.04422	0.4
171.11571	0.4
173.13281	1.2
175.14835	100.0
176.15190	1.2
177.16451	0.4
178.08670	0.5
183.04405	0.3
185.06010	0.4
193.15900	9.4
193.17690	0.5
194.08138	0.7
199.06119	0.4
201.05539	0.5
204.06560	0.4
206.08109	1.0
213.05533	0.5
217.08723	0.3
223.06007	0.7
229.05014	0.4
231.36662	0.3
241.04922	0.5
241.07152	0.8
259.08167	1.1
277.09390	0.4
289.18155	0.3
304.10910	0.3
305.06546	0.4
307.18970	0.5
323.07730	1.7
325.20074	0.4
337.20178	0.8
704.03149	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	684.2501
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	5.4
55.01868	5.6
55.05508	7.6
57.03429	3.7
61.02929	3.6
65.92194	1.7
68.99797	2.5
69.03423	12.8
70.06623	1.8
71.04985	2.7
73.02924	3.1
75.25911	1.5
79.05506	7.4
81.03422	25.6
81.07064	2.1
83.01385	1.9
83.08623	5.5
84.08981	3.4
85.02912	30.8
87.00835	15.3
91.05488	3.1
97.02897	15.3
99.04473	7.0
100.07633	3.0
100.11269	20.4
101.11594	11.9
103.05470	5.1
105.01897	8.4
105.07027	4.7
107.04957	8.7
108.04483	2.5
109.02868	10.2
111.04484	3.0
115.03916	1.8
115.05450	8.5
117.01862	3.1
117.07037	16.8
123.04473	3.4
124.05212	3.1
127.03937	17.1
129.01845	1.7
129.06998	2.9
131.04945	8.0
131.08594	3.6
132.05714	2.1
133.10138	2.7
135.11742	1.6
144.05716	3.1
145.05002	7.3
145.06493	36.5
147.04440	3.2
155.06078	7.0
156.05734	7.5
157.06535	2.2
159.02913	7.2
159.04176	1.6
159.08092	4.9
161.05951	2.3
163.03809	2.1
164.38976	2.0
167.07062	55.5
167.08453	3.6
173.06000	64.2
175.07631	1.9
181.08665	1.9
182.15459	5.9
183.15829	4.6
184.05267	3.8
184.15996	3.1
187.07574	5.5
190.06270	40.2
193.08646	2.4
202.03003	1.6
202.06276	2.5
203.07072	6.2
205.08615	100.0
207.06468	2.3
209.16420	2.0
209.34431	1.8
210.14948	3.7
210.16765	4.1
211.15269	5.5
211.17166	3.7
212.15582	3.5
213.15886	3.1
217.08626	47.9
219.08066	3.2
219.10121	3.9
221.18939	2.2
223.09637	3.0
231.05075	2.2
235.09671	32.6
235.11865	2.6
237.09279	1.9
247.07475	2.4
247.09654	9.2
264.07715	2.4
265.10791	35.9
271.09723	1.9
276.07898	1.8
279.10214	2.2
291.10214	3.3
293.08392	2.3
299.09305	1.8
315.08554	9.6
323.12839	2.8
330.11169	11.9
331.11823	4.3
339.12515	2.6
343.11685	2.1
351.12207	4.7
368.12329	1.9
369.13303	2.1
371.14618	3.2
383.14908	16.0
401.15994	19.8
467.31198	1.7
539.64972	1.6
665.51093	8.0
683.52405	47.3
684.52551	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	684.2501
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	5.4
55.01868	5.6
55.05508	7.6
57.03429	3.7
61.02929	3.6
65.92194	1.7
68.99797	2.5
69.03423	12.8
70.06623	1.8
71.04985	2.7
73.02924	3.1
75.25911	1.5
79.05506	7.4
81.03422	25.6
81.07064	2.1
83.01385	1.9
83.08623	5.5
84.08981	3.4
85.02912	30.8
87.00835	15.3
91.05488	3.1
97.02897	15.3
99.04473	7.0
100.07633	3.0
100.11269	20.4
101.11594	11.9
103.05470	5.1
105.01897	8.4
105.07027	4.7
107.04957	8.7
108.04483	2.5
109.02868	10.2
111.04484	3.0
115.03916	1.8
115.05450	8.5
117.01862	3.1
117.07037	16.8
123.04473	3.4
124.05212	3.1
127.03937	17.1
129.01845	1.7
129.06998	2.9
131.04945	8.0
131.08594	3.6
132.05714	2.1
133.10138	2.7
135.11742	1.6
144.05716	3.1
145.05002	7.3
145.06493	36.5
147.04440	3.2
155.06078	7.0
156.05734	7.5
157.06535	2.2
159.02913	7.2
159.04176	1.6
159.08092	4.9
161.05951	2.3
163.03809	2.1
164.38976	2.0
167.07062	55.5
167.08453	3.6
173.06000	64.2
175.07631	1.9
181.08665	1.9
182.15459	5.9
183.15829	4.6
184.05267	3.8
184.15996	3.1
187.07574	5.5
190.06270	40.2
193.08646	2.4
202.03003	1.6
202.06276	2.5
203.07072	6.2
205.08615	100.0
207.06468	2.3
209.16420	2.0
209.34431	1.8
210.14948	3.7
210.16765	4.1
211.15269	5.5
211.17166	3.7
212.15582	3.5
213.15886	3.1
217.08626	47.9
219.08066	3.2
219.10121	3.9
221.18939	2.2
223.09637	3.0
231.05075	2.2
235.09671	32.6
235.11865	2.6
237.09279	1.9
247.07475	2.4
247.09654	9.2
264.07715	2.4
265.10791	35.9
271.09723	1.9
276.07898	1.8
279.10214	2.2
291.10214	3.3
293.08392	2.3
299.09305	1.8
315.08554	9.6
323.12839	2.8
330.11169	11.9
331.11823	4.3
339.12515	2.6
343.11685	2.1
351.12207	4.7
368.12329	1.9
369.13303	2.1
371.14618	3.2
383.14908	16.0
401.15994	19.8
467.31198	1.7
539.64972	1.6
665.51093	8.0
683.52405	47.3
684.52551	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	680.5097
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50572	1.0
53.03923	0.9
55.01860	5.2
55.05513	8.5
57.03416	2.9
57.07066	3.5
62.34397	1.1
67.05180	1.6
67.05508	22.4
67.12661	1.1
69.07072	8.2
69.83199	4.8
72.31232	1.1
79.05500	7.9
81.07059	43.3
83.04968	2.1
83.08611	3.9
90.00414	0.9
91.05466	3.3
93.07055	7.2
95.04967	1.2
95.08607	15.4
97.10160	2.4
98.20840	1.3
98.21397	1.8
105.07025	4.7
107.08591	5.9
109.06508	9.7
109.10159	8.2
111.04446	14.7
111.08072	2.0
119.08595	5.8
121.10128	4.2
123.08090	1.8
123.11690	1.8
125.05976	3.9
131.08582	2.3
133.10098	5.4
135.08054	1.6
135.11676	4.4
137.05981	100.0
137.13268	2.5
143.08549	1.5
145.10104	1.6
147.08000	1.5
147.11694	6.3
149.09604	3.5
149.13239	2.1
151.07539	3.2
157.10120	1.4
161.09613	6.1
161.13289	2.4
163.11205	2.6
163.14714	1.3
167.10753	1.0
175.11200	4.5
175.14728	1.2
177.12698	1.0
179.10693	2.1
193.12144	1.5
203.17947	6.2
213.16359	2.4
221.19017	1.3
231.17491	6.7
249.18497	6.4
267.11008	1.1
277.17993	51.9
277.81470	1.2
295.18936	7.2
327.07730	2.2
337.27380	26.4
351.21655	19.9
383.24100	5.5
454.56085	1.1
491.37213	3.8
495.26578	2.4
510.65170	1.2
551.32770	1.6
607.38965	4.1
613.44702	59.9
614.44574	2.7
645.47400	10.3
653.37891	1.1
663.45618	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	680.3855
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	14.7
57.03430	4.9
61.02929	24.5
67.05501	59.3
69.03440	6.0
69.07070	9.6
71.51657	4.5
73.02908	11.3
76.59582	4.0
79.05491	45.5
81.07065	77.4
83.08611	9.9
85.02898	26.8
91.03954	19.2
91.05470	24.0
93.07044	61.7
95.08607	67.0
97.02896	17.3
98.95049	4.1
105.07035	23.4
105.44070	4.6
107.08587	43.4
109.02956	5.5
109.10165	45.3
117.07001	7.7
119.08579	20.1
121.10147	40.4
123.11705	8.8
127.03949	6.2
131.08595	20.5
133.10133	15.5
135.11684	34.3
137.13271	8.4
145.04964	14.5
145.10130	18.7
147.11696	14.2
149.13283	28.9
151.11156	6.6
159.11714	20.1
163.06065	14.1
163.14871	7.3
173.13332	13.5
178.63512	4.7
178.79381	4.4
185.42648	4.1
213.87323	4.6
229.19516	44.4
247.20580	100.0
249.22292	5.1
321.24155	38.1
339.25339	52.3
350.64890	4.2
421.98972	4.3
483.29504	9.2
518.81525	4.4
687.06866	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	680.4865
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82282	0.2
53.86063	0.3
55.05510	0.5
56.05032	0.7
57.03423	0.3
57.07068	0.6
58.06610	0.5
60.08167	6.2
62.66638	0.3
67.05498	0.5
67.96315	0.3
69.07070	0.3
71.07380	2.8
71.08610	0.5
79.05498	0.3
81.07039	0.7
83.08620	0.8
85.10205	0.4
86.09712	28.5
88.55157	0.3
97.10195	1.6
98.21021	1.8
98.98476	2.7
104.10747	2.5
107.08608	0.3
109.10223	0.3
125.00017	17.9
125.09608	1.2
135.08054	0.3
135.50833	0.3
144.70345	0.2
171.92021	0.2
184.07355	100.0
185.07706	0.4
189.11217	0.7
227.12793	2.1
240.69420	0.3
245.13893	2.2
313.27481	1.5
328.93820	0.3
339.32019	0.3
479.69934	0.3
483.36667	1.0
680.48694	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3747
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47365	2.0
51.34942	2.2
53.03950	4.4
53.13904	1.6
55.05518	14.7
57.03439	4.6
57.07067	3.9
58.50552	2.0
61.02929	20.5
63.94151	1.7
64.06717	1.8
64.81534	2.0
65.03954	2.6
65.14507	1.8
67.05511	79.2
69.03436	3.3
69.07072	11.7
71.05001	3.6
71.08645	2.3
73.02916	11.2
75.04497	2.9
79.05070	3.4
79.05500	49.1
81.03436	2.8
81.07062	74.6
83.05038	2.4
83.08612	5.0
85.02911	26.5
85.06515	2.5
91.03967	28.6
91.05486	27.8
93.07055	63.6
95.04966	4.0
95.08614	63.5
97.02909	11.6
97.10191	5.3
99.04531	2.4
105.07031	19.9
107.04958	2.2
107.08606	35.8
109.06537	2.6
109.10175	31.4
117.07027	10.3
119.08589	16.4
121.10152	41.3
123.08054	4.0
123.11719	17.7
127.03957	9.8
131.08582	22.3
133.10136	16.1
135.11719	30.2
137.09590	2.2
137.13277	6.6
139.09901	1.8
145.04958	11.7
145.10138	14.7
147.11722	11.0
149.13281	25.8
159.11702	14.6
161.13284	12.3
163.06030	20.0
163.14833	16.2
165.12720	2.8
173.13307	17.9
175.14838	3.2
177.12814	2.4
177.16443	7.9
179.14214	2.5
187.14868	10.5
201.16438	3.4
213.98982	2.0
233.22630	4.6
243.21118	34.5
249.25827	2.1
261.22171	100.0
262.22601	2.2
279.23099	3.4
335.25888	16.1
353.26886	30.1
438.95532	2.4
594.02032	2.3
617.22284	10.1
645.21857	5.2
677.35034	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	678.4703
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	0.2
56.05044	1.1
56.63238	0.2
57.07066	0.2
58.06609	0.3
59.04996	0.8
60.08167	6.4
61.61111	0.2
67.05504	0.5
70.06586	0.3
71.04295	0.2
71.04620	0.4
71.07380	3.7
71.08619	0.3
79.05495	0.4
81.07049	0.4
86.09710	30.8
87.10035	0.3
89.06022	0.4
91.05457	0.3
93.07012	0.2
95.08600	0.6
98.98467	4.0
104.10744	2.3
105.07076	0.2
116.07069	0.2
125.00010	22.2
168.22336	0.2
184.07347	100.0
185.07689	0.5
190.85602	0.2
328.49161	0.2
344.69446	0.2
350.27744	0.2
496.33994	0.2
677.18726	0.2
678.47113	5.3
679.46997	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	678.4944
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49394	1.8
55.01882	4.8
55.05508	7.9
57.03436	2.7
57.07063	2.3
59.04997	2.3
65.47294	1.5
67.05503	13.1
69.07076	4.3
70.14732	1.8
79.05495	11.3
81.07059	29.6
83.04969	2.0
83.08640	3.9
91.05503	4.7
93.07038	10.8
94.36906	1.9
95.08607	13.3
105.07033	4.0
107.08605	7.5
109.06530	7.7
109.10140	3.5
111.04466	14.5
119.08569	6.4
121.10163	7.3
123.11699	2.7
123.27526	1.7
125.06026	2.8
133.10103	5.0
135.11694	5.0
137.05986	100.0
147.08011	3.2
147.11708	6.0
149.09666	2.4
157.10095	2.7
161.09622	5.7
161.13202	3.5
171.11768	1.9
175.11166	2.1
175.14777	2.7
184.07425	2.4
203.17964	5.6
217.78163	1.8
231.17404	6.4
247.93173	2.1
249.18579	4.6
262.16888	1.7
277.14975	2.4
277.17996	47.5
281.06552	2.0
295.19092	5.8
310.25925	1.6
335.25797	19.3
351.21652	18.0
383.24274	2.7
506.39200	2.5
611.43085	47.7
612.43341	2.7
633.51312	2.0
643.45679	6.6
678.33630	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3751
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	3.7
55.05524	15.1
57.03453	12.6
57.07088	6.8
61.02930	17.3
65.03966	2.2
67.05515	84.0
69.03440	3.6
69.07080	18.6
69.30524	20.1
71.05019	2.8
71.08667	2.8
72.24199	2.4
73.02929	5.7
75.99866	2.4
79.05509	52.5
81.03446	2.4
81.07072	85.1
83.08627	7.5
85.02925	23.1
85.06586	3.6
88.02473	2.1
91.03976	23.4
91.05492	25.6
93.07059	63.1
95.05032	3.9
95.08622	70.7
97.02892	12.7
97.10186	6.5
99.08074	2.4
101.19563	2.3
105.07053	22.0
107.08614	46.1
109.10184	38.6
117.07074	11.4
119.08620	19.0
121.10166	36.1
123.11723	19.3
125.09621	2.6
127.03939	6.0
131.08574	21.8
133.10146	16.8
135.11703	32.1
137.13272	5.8
145.04973	8.3
145.10141	18.6
147.11720	12.5
149.13260	19.0
151.11287	3.1
159.11711	17.0
161.13292	11.9
163.06058	9.7
163.14882	11.6
165.12735	2.6
173.13318	20.4
175.14836	5.0
177.16388	5.5
187.14885	10.0
201.16394	4.1
215.17972	2.5
233.22791	4.7
243.21118	32.6
251.03888	2.4
261.22195	100.0
279.23175	4.9
295.35587	2.2
324.99084	2.5
331.40622	2.4
335.25903	33.4
353.26913	27.8
497.31140	5.2
677.34991	4.3
686.78802	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	677.3726
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52158	0.3
56.37465	0.3
58.35648	0.3
63.35166	0.2
69.18806	1.9
69.19228	1.0
79.05525	0.3
85.37330	0.3
95.04988	0.3
98.20610	0.3
105.34097	0.3
111.52551	0.3
131.74535	0.4
185.04262	0.7
193.04926	0.4
203.05313	1.2
209.99818	0.3
214.21463	0.3
256.26547	0.9
259.08005	1.4
261.75528	0.3
347.09598	1.3
365.10654	3.0
387.12726	0.4
400.14221	0.5
401.14816	0.9
402.15442	1.8
414.16611	0.5
415.16434	0.7
416.16772	0.7
421.13278	1.4
429.18164	0.3
430.19131	0.9
431.19333	1.9
457.17188	0.5
460.16449	0.3
475.18365	0.4
485.17053	0.6
503.17667	0.4
515.31970	21.7
516.32123	0.5
518.24164	0.5
541.19354	0.7
545.22644	0.6
546.23358	1.2
562.23248	0.6
573.22186	2.1
574.22314	1.1
589.22314	0.7
590.22595	4.1
617.22064	0.4
631.23370	0.7
659.22620	0.7
677.37225	100.0
678.07813	0.6
678.37579	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	676.3894
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.9
55.01862	4.8
55.05495	13.8
57.03430	8.7
58.78703	3.6
61.02889	5.0
64.28281	3.4
67.05511	47.6
69.03429	5.5
69.07054	14.0
79.05495	36.2
81.03419	44.7
81.07059	58.5
83.04980	13.0
83.08601	15.5
85.02892	12.1
85.06544	5.2
91.05486	32.2
93.06557	4.6
93.07047	44.3
95.04990	17.0
95.08596	13.1
97.06533	8.0
103.62154	3.6
105.07034	18.8
107.04942	6.0
107.08592	16.5
109.06548	4.9
111.08086	5.5
117.06989	5.1
119.08573	12.6
121.10155	16.9
129.07001	6.1
131.08549	13.3
133.10143	9.6
135.11682	5.1
142.07715	3.8
145.86418	4.4
147.11670	12.5
149.13300	17.8
151.11203	3.6
157.10098	7.0
159.11688	7.7
167.33279	3.5
175.11191	13.3
193.12242	23.5
195.13785	8.6
211.13232	36.9
263.81696	4.3
267.15979	20.7
269.14658	3.4
269.17480	82.0
285.17035	27.9
319.17270	4.1
430.15704	4.6
444.37961	3.6
461.29056	38.9
479.30139	100.0
481.14807	4.1
484.16458	5.2
486.18506	6.1
496.16907	8.7
497.18033	3.9
498.18256	9.0
556.18439	8.4
676.26935	80.0
677.26526	10.4
696.01868	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	677.2822
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84713	0.5
53.03952	0.5
61.14550	0.5
67.05497	1.0
69.03434	1.0
69.07061	0.6
70.06578	1.0
71.51897	0.8
74.72881	0.5
78.49295	0.4
79.05501	1.2
81.05833	0.5
81.07056	1.4
82.06582	0.8
85.02860	0.9
89.06035	0.8
91.05497	1.8
93.05786	0.9
93.07067	3.3
94.06573	2.7
95.04988	0.7
95.07325	2.8
95.08622	0.9
96.08144	6.5
97.02884	0.6
97.06555	1.0
97.17327	0.5
103.05467	1.9
105.07040	0.7
108.08128	6.6
109.10141	0.8
110.06052	0.7
110.08939	0.6
110.09691	11.4
120.04501	1.3
120.08121	7.1
121.06490	1.2
122.06055	1.6
124.07603	3.0
124.59169	0.5
131.04941	3.7
133.10120	0.6
134.06007	0.5
135.04527	0.5
135.08122	0.6
136.07574	8.4
137.06006	0.9
138.09155	12.6
144.04465	0.9
146.06039	1.1
146.09702	0.7
148.07593	2.6
150.09149	0.9
151.03914	0.7
152.07114	0.8
157.10104	0.6
162.05571	1.0
164.07118	1.2
165.09113	0.6
166.08667	12.0
172.03943	3.9
174.09059	0.6
176.07045	1.1
190.05035	2.9
197.10728	0.6
198.11317	0.5
204.06564	5.3
204.10046	0.6
209.10719	0.7
211.08658	0.9
213.10320	1.0
220.10075	0.7
221.10776	1.5
222.11375	1.0
223.08737	1.1
223.12408	0.8
225.10193	0.9
227.11871	0.8
235.08691	4.3
235.12395	0.8
236.09433	2.6
237.10243	10.2
237.13972	0.9
238.11005	4.8
239.11913	3.2
241.09807	0.9
241.13229	0.5
243.11290	2.8
247.08641	3.6
248.09482	5.8
249.10271	14.0
250.11047	14.6
251.11790	10.8
252.12567	1.3
253.09778	1.8
253.13400	1.0
255.11382	0.5
261.10284	6.2
262.11072	4.1
263.08368	1.6
263.11826	27.2
264.09067	1.7
264.12466	1.4
265.09744	5.3
265.13266	3.2
266.10544	0.9
267.11368	2.2
269.09213	1.0
269.13037	0.8
273.12387	1.2
275.08212	0.7
277.09735	5.0
278.10434	1.2
279.11310	26.9
280.11978	1.5
281.09961	0.8
281.12823	2.9
282.10092	2.4
283.10855	2.0
285.12332	4.0
287.10294	1.2
289.09756	3.5
290.10605	0.8
291.11295	9.8
292.12119	1.6
293.09570	1.1
293.12885	2.2
294.10126	0.9
295.10818	3.8
295.14120	0.7
296.11597	1.1
297.12393	4.1
299.13901	0.9
301.11984	0.7
302.12720	0.6
303.13492	3.5
305.09406	1.5
307.10803	9.9
308.11417	0.8
309.12381	8.8
310.13284	0.8
311.10706	0.6
311.13895	2.9
313.11813	1.0
314.16678	0.6
317.09061	0.7
319.10693	2.5
321.12317	0.9
323.10898	2.6
323.14032	2.4
325.11844	8.5
325.15482	0.6
326.13257	0.6
327.13412	0.9
328.14404	1.9
329.11276	0.9
329.15073	1.1
331.13696	0.5
335.10269	7.2
337.11835	11.4
339.13409	2.0
340.14484	0.9
341.11566	0.6
342.15961	1.7
343.13083	1.3
344.13892	0.8
353.11377	1.5
354.12119	0.9
355.12943	12.1
356.13788	1.6
356.17786	0.9
357.14493	7.9
358.15518	1.3
367.12952	18.6
368.13791	1.8
369.14703	4.1
370.15567	2.0
371.12589	0.7
372.17392	1.1
374.14764	0.7
375.19507	0.8
382.15887	0.7
384.17062	0.7
385.14377	0.8
386.15070	2.0
387.15729	0.8
396.13501	0.9
398.15002	0.6
400.16840	1.1
402.18420	0.8
403.18988	3.1
408.73801	0.5
414.14478	1.7
415.15131	3.4
417.16339	0.5
428.15924	1.0
430.17810	1.1
432.14935	1.0
446.17349	1.1
447.17953	0.9
448.18790	0.7
456.15518	1.7
460.18866	2.1
462.16782	2.1
474.16534	7.1
476.17838	0.8
488.18335	4.7
490.19788	4.2
492.17300	1.4
494.22861	0.9
506.19330	3.7
512.20361	0.7
520.20862	100.0
521.21344	7.7
522.22418	35.5
523.22662	1.0
530.21594	0.9
538.21790	5.2
585.23724	1.1
609.23425	2.1
627.24530	15.6
628.24390	0.7
633.19177	0.6
641.26196	0.9
677.33209	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	676.2609
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	0.6
51.10003	0.2
53.03954	2.1
55.01869	0.3
55.05507	0.3
67.05501	0.4
69.03428	0.5
70.41079	0.7
71.01321	0.3
77.03931	0.5
79.05502	0.6
81.03413	0.5
81.07060	0.3
83.04970	0.6
85.02921	0.4
91.05481	1.3
91.05957	0.2
93.07050	0.6
95.04969	3.1
97.02916	0.3
103.05479	0.4
105.03402	29.3
105.04527	1.6
105.07032	1.1
106.03712	0.5
107.04938	0.4
107.08627	0.3
108.04489	0.5
109.06535	0.5
111.87599	0.2
115.05466	0.7
117.05768	7.3
117.07021	0.8
119.04945	0.3
119.08595	0.4
121.06488	0.8
122.06020	0.6
123.04406	0.3
123.08102	0.2
124.44012	0.2
129.07025	0.6
130.06561	1.5
131.04935	1.2
131.07306	2.1
131.08549	0.8
132.04449	0.9
132.08101	29.1
133.06516	0.7
133.10112	0.4
135.04414	0.2
135.08040	0.5
136.07568	0.8
137.04808	0.3
137.06006	0.6
141.07002	0.3
142.07758	0.3
143.08571	0.5
145.05232	3.8
145.06483	1.6
145.10129	0.7
147.04378	0.4
147.08043	0.6
147.11647	0.3
149.06003	0.5
150.05531	0.4
155.08621	0.3
157.06453	0.2
157.10136	0.6
158.07266	0.3
159.08049	0.8
160.07593	52.1
161.05988	0.9
161.07980	0.6
161.09656	0.6
162.05489	0.3
163.07541	0.6
173.05962	0.7
173.09671	1.2
175.07584	0.7
175.11169	0.4
177.09108	0.2
178.08646	59.6
179.06958	0.2
179.09009	0.8
181.22566	0.3
183.08102	0.6
185.09665	0.6
186.06783	0.3
187.07593	0.5
188.07062	1.5
189.05447	0.5
189.09169	0.5
190.08551	0.3
191.07074	0.5
199.07553	0.3
201.09113	1.9
203.10568	0.3
206.08138	100.0
207.08505	1.1
211.07515	0.2
213.09128	0.9
217.08626	0.5
219.10204	0.8
224.09196	19.5
225.09700	0.5
229.08672	1.4
231.10175	0.6
234.11272	0.8
247.09657	0.8
259.09708	0.7
261.13336	0.3
262.10785	6.6
263.11035	0.3
265.10736	0.4
277.10690	0.3
280.11789	5.1
295.11841	0.9
310.10751	0.7
434.15863	0.3
452.17081	0.9
470.18320	1.2
482.18149	0.3
488.19055	2.1
500.19128	0.6
506.20105	1.5
518.20068	1.3
536.21350	2.6
554.22406	0.9
574.20337	0.3
592.21783	0.6
604.20905	0.4
610.22693	0.7
622.23108	1.5
628.23920	0.5
640.23871	4.2
658.25000	27.8
659.25269	1.3
676.26031	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	676.1933
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.6
54.87333	1.2
55.01878	12.8
55.05515	1.7
57.03442	27.0
59.05002	27.2
61.02933	1.7
67.01869	2.8
67.05506	4.5
69.03435	19.2
70.06596	2.6
70.94925	3.1
71.01353	21.1
71.05005	12.5
73.02924	7.8
79.05494	2.2
81.03439	8.1
82.28622	1.6
83.01346	12.5
83.04978	4.3
85.02910	100.0
87.04491	6.5
92.03638	1.3
95.01336	11.5
95.04962	5.3
97.02903	40.5
99.00849	2.5
99.04458	12.6
101.02368	8.0
101.06030	1.5
103.03934	6.4
107.04987	2.0
109.02892	6.0
111.00826	4.3
111.04459	8.2
113.02371	31.9
115.03934	5.4
121.02827	2.6
123.00776	3.7
123.04472	2.7
125.02353	10.6
127.03915	11.6
129.01860	4.3
129.05478	11.2
131.03398	8.5
135.04469	2.0
135.60939	1.5
137.02299	2.2
139.03891	6.2
141.01852	10.8
141.05492	1.6
143.03438	1.9
145.04964	84.1
149.02354	1.4
151.03917	4.8
153.01791	7.6
155.03394	3.8
157.04922	1.6
159.02887	30.3
163.03969	1.5
165.01768	1.4
167.03404	4.3
169.04985	4.2
171.02809	2.4
173.04530	2.5
179.03407	3.1
181.04935	2.3
183.02913	3.6
195.02916	2.9
197.04526	8.0
201.03891	3.0
207.02905	2.2
212.42552	1.6
213.04015	3.6
215.01897	3.4
225.03957	14.4
227.05609	2.0
229.03453	1.4
239.05400	2.2
241.03481	2.1
243.05042	9.1
253.03493	6.9
257.06522	3.5
259.04620	1.6
269.02863	1.8
271.04514	21.9
285.06039	3.0
289.05560	9.5
289.52231	1.7
295.04074	1.7
299.03967	4.6
317.05048	55.3
341.05051	1.6
345.04477	1.7
355.06586	2.0
371.06076	2.5
383.06241	4.9
401.07162	5.8
411.05475	8.2
415.08789	1.4
429.06677	39.8
443.08160	5.9
447.07721	36.4
461.09280	16.4
513.08789	2.4
528.83905	1.5
541.08282	15.4
542.71759	1.5
555.09576	5.9
559.09186	6.1
573.11005	14.4
587.12671	2.5
605.12701	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	675.267
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.8
53.56717	0.7
55.01877	1.5
55.05513	0.8
67.05521	1.6
69.03429	0.8
69.29906	1.7
69.30310	4.8
79.05486	2.3
80.05051	1.0
81.03429	1.0
81.05817	0.8
81.07072	0.8
82.06577	1.2
83.04969	1.3
85.02898	1.6
91.05488	2.3
93.05815	1.2
93.07072	3.6
94.06579	6.5
95.04990	1.8
95.07359	4.0
95.08629	1.2
96.08141	8.5
97.06553	1.7
103.05493	6.2
104.05822	1.2
105.07070	0.7
106.06580	0.9
107.07375	1.0
107.08593	1.1
108.08135	10.7
108.08811	1.4
109.02885	0.9
109.08878	0.8
109.10166	0.9
110.09698	13.0
119.08622	0.9
120.04482	1.3
120.08121	10.2
121.10172	0.8
122.06081	5.4
122.09643	1.8
124.07567	1.2
129.01726	0.7
131.04935	12.7
131.05829	0.9
132.05296	5.3
132.08124	1.4
136.07584	8.5
137.05997	0.8
138.05553	1.5
138.09155	14.7
140.07106	1.3
148.07599	2.9
150.09200	1.4
160.07591	1.9
164.07118	1.0
165.09183	1.8
166.08667	16.8
178.08611	1.3
206.08249	2.7
207.09238	0.9
208.09938	0.9
211.08861	1.0
220.09941	0.8
221.10890	2.6
223.08719	1.3
223.12250	1.1
225.10199	1.2
225.84186	0.7
233.10995	0.9
235.08673	5.4
236.09431	3.9
237.10251	7.9
238.11038	1.6
239.11794	1.7
247.08746	8.5
248.09550	5.6
249.10260	20.2
250.11012	6.2
251.08269	1.3
251.11766	6.2
253.09784	2.9
261.10315	5.6
262.11096	1.4
263.08237	2.8
263.11865	3.1
264.08932	3.9
265.09735	9.9
266.10529	2.5
267.11301	3.3
275.08160	2.4
276.08908	6.4
277.09747	17.3
278.10535	9.0
279.07916	1.0
279.11292	13.7
280.12097	2.5
281.09109	1.1
281.12906	2.2
283.10831	1.3
289.09692	4.1
290.10498	1.0
291.07785	2.2
291.11349	6.0
292.08621	1.6
292.11850	1.5
293.09293	4.9
293.12915	8.0
294.09882	0.8
295.10855	3.2
296.11676	1.1
297.12433	1.0
302.13095	0.9
304.08411	3.6
305.09167	6.3
306.10013	2.5
307.10779	12.9
309.08832	2.3
309.12436	6.5
310.13135	1.6
312.11212	1.1
314.13007	1.7
316.10913	0.9
319.10809	12.6
320.11697	0.9
321.08752	1.7
321.12396	6.3
322.13092	0.9
323.10352	2.7
324.14978	1.5
325.12430	1.1
326.12964	2.2
326.16574	1.0
327.13666	4.9
328.10959	1.6
328.14508	3.1
329.11627	1.3
329.15338	1.1
330.12735	1.6
330.16232	1.2
332.07962	1.6
333.08652	4.4
335.10416	2.1
337.12109	2.8
338.12881	2.5
339.10175	1.0
339.13599	13.3
340.10736	2.1
340.14569	2.6
341.11603	1.9
341.15451	1.0
342.12534	4.0
342.16241	2.0
343.13141	1.6
344.13837	1.8
344.17697	1.0
347.10254	4.7
351.09698	4.5
352.10638	1.0
352.14658	2.3
353.11191	3.9
354.12424	6.8
354.16312	1.8
355.13028	4.0
356.13931	7.4
357.14832	2.6
358.15616	1.7
365.11386	17.7
366.12286	3.7
367.13080	2.3
368.10382	2.7
368.14066	1.9
369.11008	2.0
369.14792	1.9
370.11798	2.8
370.15866	6.3
371.12372	1.2
371.16553	1.4
372.17191	2.9
374.15027	0.9
380.13962	7.4
381.15244	0.9
382.11746	5.9
382.15826	1.9
383.12503	5.1
384.13412	7.9
384.17587	1.4
385.14114	2.4
385.18414	1.4
386.15057	2.1
388.12582	1.0
396.13538	3.0
397.14264	3.2
398.15036	14.4
399.15991	3.9
400.16794	8.1
408.13333	1.5
410.15213	2.7
410.85104	0.9
412.12637	5.7
413.13486	1.1
414.14175	1.9
414.18948	1.0
415.14883	1.3
416.15967	3.2
418.17444	1.0
426.14532	15.5
427.15311	1.1
428.16162	10.1
429.17169	1.1
432.19464	1.6
440.15994	1.0
442.13318	1.4
442.18378	2.0
443.14520	0.9
444.15015	5.1
454.14050	25.3
455.14578	1.0
456.19342	0.9
458.17206	2.4
460.14746	3.0
460.19336	2.9
462.20474	1.7
468.15582	1.1
472.15048	51.5
473.15271	2.0
474.16690	3.1
474.21677	1.2
477.10641	1.1
478.10315	3.6
486.16565	3.5
490.19904	3.2
492.17300	10.6
494.29208	0.7
496.11624	0.9
500.18140	4.2
501.19049	0.9
504.17450	5.4
518.19305	100.0
519.19946	17.0
520.20770	3.0
522.19147	0.8
536.20325	17.0
597.23029	1.2
607.21832	6.9
611.24658	1.1
625.23004	45.3
626.23682	2.0
632.71692	0.9
639.24738	7.0
643.23975	10.2
657.25696	25.1
658.25507	1.5
661.65302	0.8
675.26581	7.3
675.35730	0.9
704.25458	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.2664
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.1
67.05503	2.6
70.41180	2.6
79.05479	3.2
80.05016	2.7
81.03438	1.1
81.05788	1.7
81.07071	1.1
82.06572	1.8
91.05480	3.1
93.05769	1.4
93.07040	8.2
94.06567	13.5
95.04986	1.2
95.07352	8.1
95.08602	1.4
96.08126	14.3
96.23959	0.9
97.02916	0.8
97.06526	2.6
103.05470	3.0
105.07015	0.9
106.06573	0.9
108.04481	2.1
108.08119	15.2
109.02848	1.0
109.10143	1.1
110.06041	1.4
110.09682	30.3
120.04457	1.3
120.08112	22.7
121.06458	1.2
121.10207	0.7
122.06025	15.5
123.06817	1.0
124.07568	2.0
130.06519	0.9
130.92068	0.9
131.04948	5.4
132.05310	1.9
136.07576	12.6
138.09140	28.1
145.10121	0.9
146.06049	1.4
148.07602	5.7
160.07532	1.8
166.08640	32.3
167.07098	1.1
193.21378	0.8
198.07887	1.2
199.08588	1.6
206.08372	1.2
208.06361	0.9
211.08693	3.5
212.09607	1.0
219.09084	1.5
220.09924	1.3
221.10776	3.2
222.11537	1.2
223.08691	1.4
225.10072	1.9
233.10547	0.8
234.07855	1.9
235.08600	5.0
236.09370	2.3
237.10323	2.7
238.11020	0.9
247.08647	4.8
248.09485	4.6
249.10246	31.3
250.10960	5.6
250.65376	0.8
251.08223	0.9
251.11752	4.9
253.09711	0.9
261.10287	5.5
262.11072	1.4
263.08252	2.2
263.11807	6.5
264.09067	0.9
264.12485	1.3
265.09756	4.0
271.10919	1.0
275.08151	3.7
275.11752	0.9
276.09058	1.3
277.09720	19.8
277.12582	1.6
278.10489	7.4
279.08563	1.0
279.11255	6.3
281.12872	0.9
287.11758	1.1
289.09756	3.5
291.11252	5.6
292.12018	1.8
293.09277	1.5
294.10046	1.4
295.10818	1.8
297.12387	1.4
298.10944	0.9
299.11520	0.9
300.11511	1.3
302.12912	1.2
303.07468	1.0
304.08389	1.4
305.09171	2.8
307.10828	1.6
309.09082	1.6
309.12347	9.6
310.13226	3.6
311.10992	1.4
311.14365	1.9
312.11792	1.7
312.15277	1.7
313.12341	2.3
314.12888	4.1
315.13705	1.1
316.14673	1.3
321.08786	1.3
323.10556	1.4
323.14322	1.2
324.11459	1.5
324.14996	4.0
325.12427	1.4
325.15900	1.9
326.12906	2.3
326.16577	1.9
327.10272	1.2
327.14066	3.3
328.10873	4.3
328.14499	6.2
329.11917	2.3
329.15469	1.5
330.12393	3.6
330.15784	1.4
335.10300	2.3
337.12158	3.4
338.13205	3.8
339.10223	1.2
339.13797	3.6
340.10947	3.2
340.14600	2.9
341.11722	4.4
342.12338	10.9
342.16141	2.7
343.09552	0.9
343.13208	4.4
343.16745	1.1
344.13907	3.2
344.17560	1.3
346.15512	1.3
351.13586	2.5
352.14590	9.1
353.11777	1.9
353.15723	1.6
354.12292	4.0
354.16101	3.9
355.13187	6.2
356.10239	1.7
356.13962	17.6
356.17957	1.4
357.14648	7.0
358.11786	2.9
358.15610	3.5
366.12424	1.9
367.13354	1.8
368.10025	1.5
368.14178	4.4
369.11078	2.9
369.14746	2.6
370.11441	4.6
370.15921	7.1
371.16348	5.1
372.13364	2.7
372.17523	4.8
374.15237	1.9
380.14047	4.0
381.14911	1.1
382.11096	3.8
382.15924	6.0
383.12680	2.8
384.08694	1.2
384.13330	13.1
384.17508	1.2
385.13940	4.8
385.18082	2.8
386.10736	1.2
386.14929	4.1
387.15738	1.0
388.12653	1.2
388.16956	1.1
389.17606	1.6
396.13269	3.1
397.14273	4.7
398.15042	15.4
399.15927	7.9
400.16721	15.6
402.14441	2.8
403.15329	1.6
404.16125	1.6
408.13290	2.9
410.15256	5.2
412.12796	5.3
413.13489	2.3
414.13556	1.4
414.18744	4.7
415.15115	1.0
416.16321	6.7
417.16696	2.6
424.12994	1.5
425.13562	1.7
426.14465	14.9
428.16214	11.1
430.13333	1.4
436.12897	1.0
442.18457	8.5
443.14444	1.1
444.15521	9.3
446.17215	1.5
449.20633	0.9
454.14011	38.0
455.14160	2.6
458.17041	1.3
460.19522	11.9
464.17776	1.2
468.16043	1.6
472.15073	100.0
473.15662	4.0
474.16650	14.2
475.16937	1.2
476.18164	1.1
486.16495	4.5
492.17670	45.8
493.17810	1.7
504.17621	30.1
505.17471	1.3
506.19128	2.4
522.18549	3.3
579.22467	1.5
589.20520	0.9
597.23499	1.4
607.21875	13.7
611.25061	5.2
625.22986	30.9
626.22791	1.2
629.25793	2.8
639.24554	23.2
640.24609	1.9
643.23578	1.3
657.25562	80.6
658.25391	4.4
675.26221	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	675.2663
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42336	0.4
51.29464	0.4
51.40345	0.4
52.56880	0.4
70.74978	1.0
95.05063	0.5
137.68193	0.5
188.51492	0.4
201.77211	0.4
427.17712	0.6
441.19400	0.7
444.18134	0.5
445.19104	0.5
453.16049	0.5
454.16867	0.8
455.13882	0.6
467.13138	1.1
468.14349	1.7
469.14886	8.2
470.09732	0.5
470.16019	2.1
471.16779	1.8
472.17645	0.9
481.14841	3.4
482.15915	9.4
483.16556	9.2
484.17380	2.1
485.18246	1.8
495.16696	4.5
496.17480	6.0
497.18277	34.4
498.18848	3.8
499.19644	0.8
510.19086	1.9
511.19730	5.1
512.20526	1.3
515.19189	1.3
528.16302	1.7
538.20386	0.6
541.17444	0.8
542.18024	1.6
555.18604	4.5
556.19360	3.2
557.20447	3.3
571.21814	0.6
573.20764	0.6
616.22009	1.1
617.22510	0.8
643.23932	6.0
644.24841	6.9
645.23053	1.5
657.25751	6.6
660.24561	1.4
675.26648	100.0
676.26849	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	674.2811
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.4
57.03421	0.6
61.02930	0.5
67.05496	0.8
67.10272	0.3
69.03418	1.1
69.08899	0.3
70.06602	0.6
72.08164	0.4
76.34132	0.4
79.05476	0.8
81.07066	0.6
81.07802	0.4
85.02912	2.7
91.05472	2.0
93.07056	0.7
95.04962	0.5
97.02891	1.2
104.10713	0.4
105.03410	2.1
105.06977	0.4
107.04951	1.3
107.08608	0.5
115.05472	0.8
124.05158	0.4
127.03915	0.8
128.06245	1.1
129.07008	6.1
131.04918	1.0
131.08575	6.0
133.10106	0.4
137.05975	1.2
141.05984	0.5
141.07008	5.0
143.04930	0.5
143.08606	0.5
144.05690	0.8
145.04976	0.4
145.06480	1.1
146.07237	0.5
148.05206	0.4
157.06534	4.0
158.07274	2.6
159.08072	6.1
160.05229	0.8
161.09680	0.5
163.07545	0.5
167.07056	3.8
169.06471	2.7
169.07709	0.5
170.07254	1.7
173.09666	0.5
174.05244	0.6
174.06776	12.5
175.07565	2.8
180.08720	0.9
186.06750	3.6
187.07585	0.9
188.08282	0.7
189.09120	22.9
191.10690	2.6
201.09120	10.2
218.58350	0.4
219.10173	100.0
220.10509	1.5
249.11267	0.7
353.13986	0.4
404.41489	0.3
459.26764	0.3
477.28802	0.6
674.34100	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.2666
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12981	0.2
70.63668	0.5
83.04472	0.2
102.12890	0.3
209.63739	0.2
275.68793	0.3
400.15390	0.4
413.16287	1.0
416.15002	0.5
425.16638	0.5
426.17056	0.6
427.18381	0.6
428.19061	0.5
429.15497	1.3
430.16510	1.2
439.13864	0.4
440.13910	0.3
441.20407	1.3
442.16592	0.7
443.17355	1.6
444.18326	1.3
445.18948	2.8
453.15698	0.7
454.16791	0.5
455.13153	0.6
455.18021	0.5
456.13400	0.5
456.18335	0.9
457.15182	2.1
457.19992	0.7
458.20013	0.4
467.12445	0.5
467.17499	1.5
468.14572	1.3
469.15237	2.4
470.15530	1.8
471.16385	3.5
472.17426	1.5
475.19760	0.4
480.14142	1.7
481.14917	2.9
482.15836	3.6
483.16803	5.5
484.18109	1.5
485.18762	4.7
487.20251	0.4
494.16193	0.6
495.16757	10.7
496.17477	5.7
497.18356	11.2
498.19028	1.8
499.19534	0.9
500.17282	0.9
509.18234	0.7
510.19299	0.8
511.19910	1.0
513.17664	1.8
514.18640	0.4
515.19531	1.0
527.19781	0.4
528.16913	0.6
529.21155	1.2
531.18756	0.7
538.20502	0.4
541.17438	0.3
542.17999	0.7
544.15265	0.3
545.23901	0.7
555.18683	11.1
556.19446	0.9
557.20770	1.1
569.20062	0.4
573.23962	3.7
583.21960	1.0
584.23077	0.3
585.23181	0.9
601.23047	0.4
617.22882	2.7
627.20978	0.6
629.22650	0.5
643.24066	4.7
644.24182	1.3
645.22089	2.6
657.25494	0.7
660.24255	5.0
675.26715	100.0
676.26886	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	672.4176
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	3.8
55.56385	0.6
57.03447	3.8
57.07084	33.6
61.02940	10.8
62.21434	0.6
67.05513	7.7
69.03432	1.2
69.06792	0.6
69.07081	6.7
71.08643	27.1
71.32051	1.1
73.02921	3.1
75.04472	1.8
79.05508	0.8
81.03409	1.0
81.07065	13.2
83.08627	9.5
83.65798	0.6
85.02437	1.1
85.02915	12.7
85.10195	15.1
89.06041	1.1
91.03968	11.0
95.08620	19.1
97.02890	5.3
97.10185	3.9
99.04435	1.1
109.02816	0.7
109.10165	10.7
111.11727	1.6
114.81915	0.7
121.10153	0.8
123.11718	4.2
127.03907	4.0
137.13271	1.8
145.04973	6.6
151.14859	0.8
158.08052	0.7
163.06029	9.3
184.11243	0.7
221.22682	0.7
239.23734	22.3
257.24835	4.5
313.27411	100.0
314.27805	1.9
331.28476	24.5
331.32422	1.4
344.04938	0.7
397.22540	0.7
475.32584	2.2
588.14856	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.4314
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	11.3
55.01878	6.4
55.05513	25.5
57.03442	7.1
57.07073	4.5
59.04978	2.4
63.63225	2.2
64.69434	2.2
65.03943	6.8
67.05511	85.4
68.67315	2.6
69.03436	41.7
69.07079	25.7
71.04985	7.4
71.51540	4.3
79.05501	74.1
81.03419	24.8
81.07064	100.0
83.04994	14.1
83.08633	15.4
83.51622	2.3
85.02915	8.0
85.06550	6.8
87.04469	4.0
89.06041	20.9
91.05490	60.0
93.07050	61.1
95.04985	18.5
95.08619	52.0
97.02897	6.6
97.06537	11.3
97.10184	3.6
99.04477	3.7
103.05461	3.0
105.07041	41.5
107.04951	7.6
107.08599	46.3
109.02916	3.8
109.06528	9.6
109.10170	17.3
111.04465	8.5
111.08104	6.9
113.06070	3.7
117.07015	26.1
119.08590	25.4
121.06496	8.0
121.10178	22.9
123.04492	2.8
123.11766	5.4
127.11768	2.3
128.06233	4.1
129.06998	15.5
131.08591	23.8
133.06509	6.2
133.08617	13.7
133.10135	22.0
135.08049	4.6
135.11693	15.9
137.09665	4.7
141.07010	4.9
142.07735	3.5
143.08606	8.6
145.06503	4.6
145.10152	21.1
147.08075	6.4
147.11705	16.8
149.09642	5.9
149.13261	20.4
151.11131	3.6
155.08572	6.0
157.10173	10.8
159.08058	3.8
159.11705	19.3
161.09659	3.1
161.13274	7.3
164.79453	2.6
165.05367	2.2
165.12846	2.9
169.10129	7.8
171.11722	10.7
173.09599	5.4
173.13264	8.4
175.11185	3.2
177.11273	4.4
177.12767	6.9
179.08640	2.4
183.11723	6.9
185.09663	4.2
185.13310	8.3
187.11220	2.6
187.14876	4.2
189.12814	3.3
189.90886	2.5
193.11963	2.5
193.64261	3.1
195.11765	3.5
195.13824	13.7
197.13226	3.3
199.11035	2.9
199.14906	3.2
201.12813	3.2
203.14365	2.6
233.15350	2.7
259.20447	3.8
269.17511	20.6
273.21918	2.9
275.16418	2.6
277.21759	5.8
283.20612	3.3
289.21759	3.3
301.21661	9.9
303.23172	3.5
319.22638	3.7
339.18073	3.4
351.23218	8.4
353.24847	2.8
369.24347	20.1
375.24963	3.8
387.25378	7.4
395.20709	3.3
443.28174	6.7
461.28983	7.5
529.38495	3.3
637.40527	6.7
655.41980	8.3
673.43109	44.4
685.41986	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.2714
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	1.6
79.05520	2.0
91.05492	2.3
117.07026	1.8
120.08156	2.4
123.61564	1.6
199.08838	2.1
200.26064	1.6
211.12485	1.8
213.06682	1.7
220.09825	2.5
221.10826	1.9
223.12331	1.9
224.34517	1.5
233.10704	2.1
236.13135	2.1
237.10286	3.8
238.78548	1.8
239.11763	2.9
243.11310	7.9
247.08627	1.6
247.12430	3.5
249.10318	1.9
249.13939	1.7
251.11916	2.9
261.10397	2.0
262.10916	1.8
263.11777	5.0
275.11859	2.1
289.13290	2.9
290.13797	2.2
291.11246	1.6
302.12985	1.7
306.13638	2.5
307.14282	2.3
316.14261	1.8
321.16092	2.3
322.13116	1.9
332.14011	5.2
333.14929	5.3
337.15277	2.5
360.14523	1.7
363.16891	2.6
375.16263	2.7
376.17563	2.6
379.19571	2.4
387.16235	2.1
392.16998	2.1
393.17300	3.2
395.18591	3.6
397.17612	4.6
405.16858	3.5
407.18738	4.9
409.20187	3.2
417.17038	4.6
419.19052	4.7
421.20578	4.2
423.18164	2.9
429.17429	2.3
431.18829	2.8
433.20520	2.8
434.17926	1.8
435.17877	4.1
436.19113	6.0
437.19586	13.3
438.20673	3.7
439.21567	2.3
445.20450	2.8
447.17685	2.6
447.22760	2.1
449.19415	9.1
450.20703	6.5
451.21475	4.9
453.22897	7.8
461.19742	2.7
463.21738	8.7
464.22220	3.0
465.19064	2.3
468.18265	5.6
475.21405	11.6
477.24170	2.1
479.20950	4.7
481.22528	3.0
482.23151	2.3
491.20734	8.3
492.21527	7.5
493.22955	3.6
497.25653	6.5
505.22443	3.5
507.20508	8.0
508.24884	2.2
509.21335	8.3
510.22397	3.4
512.28015	2.1
519.20544	2.9
521.21539	2.4
522.22485	21.7
523.23358	12.6
524.24231	20.6
525.25031	9.1
533.21552	3.1
535.24170	2.9
536.24561	4.3
539.26593	3.7
540.27405	9.6
549.25244	2.8
551.22888	29.0
552.23816	6.2
561.25366	3.4
563.25281	1.8
567.25995	7.0
579.22589	5.0
584.26270	3.8
589.24402	5.1
595.26019	7.3
597.24060	4.0
609.27417	6.1
611.25043	100.0
612.25818	3.1
621.23145	3.7
627.28131	30.5
639.24426	71.3
640.26233	2.5
671.30811	78.5
672.30743	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.4187
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	1.3
57.03426	2.1
57.07063	2.5
59.04994	0.9
61.02927	4.5
67.05510	6.4
69.03430	1.7
69.56567	3.7
71.04999	0.7
71.08628	1.8
73.02908	2.9
81.03421	1.2
81.07066	1.2
83.05046	0.7
83.08614	1.0
85.02940	3.6
85.10208	1.0
91.03948	2.6
95.08620	3.4
97.02904	4.4
98.21079	3.0
98.21626	0.8
101.02400	1.3
109.02885	0.9
109.10159	6.7
122.99323	0.7
127.03950	1.5
173.11752	1.7
229.14383	1.0
243.08424	2.3
276.49603	0.8
311.33124	0.9
413.17795	8.9
497.31107	4.3
669.41876	100.0
670.42224	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	669.4339
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	1.1
57.03437	1.4
57.07076	1.1
59.05004	1.5
67.05505	4.5
69.07063	0.8
69.77441	3.4
71.25551	0.6
74.09698	0.7
76.02771	0.5
79.05488	2.1
80.32681	0.6
81.07056	4.6
91.05508	0.7
93.07050	2.1
95.08601	3.4
109.10133	1.0
119.08559	0.7
121.10129	0.9
134.47177	0.7
137.06015	2.9
155.09937	0.7
189.93759	0.6
191.70233	0.6
203.43739	0.5
225.44537	0.6
239.08492	0.7
315.76328	0.6
335.18307	16.0
335.25824	0.7
391.20959	7.9
669.43396	100.0
670.42920	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	670.4171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	4.0
55.05502	14.4
57.07080	20.3
65.03963	2.8
67.05508	14.1
69.03429	6.3
69.07085	31.5
71.08650	16.6
71.11950	3.7
71.12273	3.6
73.14342	2.7
77.03946	3.8
79.05510	14.3
81.07069	28.4
83.08626	19.1
85.02914	36.1
85.10179	11.4
91.05495	22.7
93.07043	18.4
95.08620	28.0
97.02888	5.2
97.06538	4.4
97.10186	12.4
103.05447	8.3
105.07053	27.2
107.04961	5.4
107.08613	21.6
109.02882	6.6
109.06528	20.3
109.10175	15.2
111.08009	3.7
111.11739	6.1
117.07015	4.7
119.08609	20.6
121.06464	5.3
121.10158	18.5
122.12176	2.9
123.11741	8.2
125.05978	4.5
127.03929	9.0
129.07053	4.2
130.98984	5.4
131.04951	29.9
131.08556	16.1
133.10133	33.0
135.04395	21.6
135.08000	4.3
135.11729	18.5
137.06001	18.7
137.09586	4.3
137.13309	6.7
139.14810	4.8
143.08582	10.5
145.04970	10.6
145.10126	12.4
147.07913	3.5
147.11687	13.5
149.13226	7.6
153.05508	7.0
155.08615	6.1
157.10117	8.7
159.08022	5.5
159.11711	11.0
161.09616	10.9
161.13321	14.6
163.06096	5.0
163.14874	6.0
165.09068	4.1
169.10139	6.8
171.11685	4.2
173.13181	3.3
174.79369	3.4
175.07567	3.3
175.11140	3.8
175.14871	8.9
177.09077	4.0
179.10706	5.4
183.11740	6.9
185.13390	6.5
189.12819	3.9
189.16400	8.1
195.11687	4.2
197.13153	5.7
199.14854	4.5
203.17993	5.5
205.10141	4.0
209.13277	6.0
213.16376	3.2
215.08612	3.3
223.14832	4.2
229.12440	4.2
241.15895	11.9
255.13820	5.1
269.15430	12.1
271.17062	14.9
273.25775	20.8
283.20688	3.9
287.16455	8.7
297.15048	3.5
297.18295	3.4
301.25253	9.3
311.20102	4.1
315.15982	6.5
315.19244	3.9
319.15463	9.5
319.26361	9.4
333.17117	5.0
371.22205	3.7
409.31076	15.1
411.33191	4.1
427.32132	80.9
428.31985	3.9
437.30423	9.7
455.31613	100.0
473.32611	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	669.2923
Annotation	Swietephragmin D
Peak:m/z	Relative Intensity
54.68338	1.0
57.07103	1.1
68.08286	1.1
69.19244	1.1
70.05312	1.0
71.52161	1.6
79.63964	0.9
81.07083	1.6
95.08581	1.2
146.05978	1.2
159.09268	1.7
174.05542	3.1
192.06602	2.1
196.09990	2.3
202.05042	10.6
209.10556	1.2
220.06125	1.8
222.11539	2.2
233.10812	1.1
234.07608	14.2
234.11382	1.6
235.12355	2.1
251.11938	1.3
261.12396	1.3
272.12207	1.2
273.13297	1.3
274.13477	2.9
286.13351	2.9
287.14236	1.9
288.14987	2.4
300.14972	3.5
302.16452	5.7
313.12042	1.2
314.16324	1.1
316.18143	2.3
318.16080	1.3
328.14377	4.0
342.16498	1.5
388.17175	1.2
389.01266	1.1
401.17560	2.7
402.18588	6.2
403.19125	4.2
404.20251	2.0
405.20755	1.5
415.19128	2.4
416.19717	4.2
417.20743	4.6
418.21378	2.5
429.20935	2.6
430.21939	5.2
431.22797	1.9
435.21881	2.0
443.18393	3.4
445.20193	2.0
447.22116	2.5
458.20917	1.5
459.22241	2.4
463.21338	1.4
473.23444	1.4
474.20126	1.9
486.20645	1.6
487.21405	3.5
488.21860	2.6
489.19504	4.0
491.20505	6.8
501.23242	5.6
505.22327	2.3
507.20132	8.6
519.23370	1.4
520.22205	1.7
521.21869	10.6
531.23328	2.0
533.25653	2.1
535.23438	5.1
547.19342	1.9
549.21301	2.4
559.23669	9.4
561.25433	9.8
563.22925	9.9
564.23914	9.6
575.19501	2.0
576.24030	1.3
577.24200	3.1
579.22620	2.1
591.25757	2.9
593.27545	4.2
605.24066	7.8
619.25586	41.7
620.26282	7.2
622.24249	2.9
636.25964	1.6
637.26636	59.2
638.26166	1.9
651.28192	100.0
652.27972	3.0
669.29022	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.119
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.2
56.96567	34.6
57.03427	3.5
59.04987	0.9
59.24099	0.8
60.09020	1.0
61.02903	2.5
69.03440	6.5
71.01331	4.0
71.04980	2.9
71.51347	1.5
71.95245	1.2
73.02922	1.7
74.89696	0.8
81.03411	2.0
82.69695	0.9
83.01310	0.8
84.96040	43.9
85.02913	15.2
86.03253	1.1
87.04453	2.9
91.03896	0.9
95.01261	0.9
97.02902	7.2
97.96822	0.8
98.97588	100.0
99.04479	1.2
100.99095	0.9
101.00864	3.7
101.02394	1.2
102.97051	3.5
109.02898	1.6
110.97575	66.6
112.99134	6.2
113.02372	2.1
115.03929	1.1
116.98631	31.9
116.99458	1.6
119.01933	5.3
119.04935	1.1
124.95411	0.9
124.99100	4.2
126.97060	1.6
127.00695	3.9
127.02426	1.3
127.03902	6.7
128.98611	52.4
129.01953	1.1
131.00197	5.2
131.01868	3.8
131.04945	1.2
133.03439	1.2
134.99625	3.6
135.04427	1.4
137.05969	2.3
138.97017	5.8
139.03946	1.4
140.00192	1.6
140.98590	13.3
141.01904	1.0
142.96553	1.0
142.99062	1.6
143.00160	22.4
143.01857	4.1
144.98100	4.6
145.01672	3.3
145.03455	2.2
145.04982	5.5
146.99652	13.8
147.03304	1.0
147.04405	2.5
149.01157	2.5
150.97067	2.7
151.03874	1.1
152.98619	8.9
155.00186	1.7
155.01900	3.4
156.98100	22.2
157.03500	3.9
158.99666	34.0
159.03156	1.0
159.99908	0.9
160.97603	0.9
161.01219	16.1
161.02927	5.3
162.99121	3.2
163.02654	1.2
165.00665	1.6
167.00058	1.1
167.07053	2.0
168.98090	11.1
169.04494	1.0
170.99663	40.0
173.01198	7.0
173.02974	2.9
174.99162	25.9
175.02754	1.8
175.04500	2.1
177.00717	19.2
178.04855	2.7
179.02206	4.1
182.98058	1.7
182.99673	29.3
183.04990	0.9
184.97551	5.5
185.01204	3.2
185.02963	3.3
186.99191	10.3
187.02701	1.2
187.04407	1.1
189.00722	28.5
191.02283	2.5
192.04602	1.9
193.00198	5.4
193.03827	1.4
194.99643	3.0
195.01439	1.5
196.97586	9.6
197.03035	3.1
198.03654	0.9
198.99155	2.6
201.00722	77.4
201.02412	5.3
202.98671	6.0
203.02315	1.8
203.04018	2.0
205.00166	3.9
207.01665	2.1
209.03168	1.2
210.99208	1.8
213.00729	10.0
213.02505	1.6
214.98636	17.4
217.00253	2.7
219.01779	54.2
220.99713	1.0
221.03142	1.3
221.05055	1.7
223.04698	1.2
223.06645	3.2
224.02374	1.4
225.00618	1.6
225.02477	2.5
225.06340	1.8
226.98741	1.8
229.00214	3.2
231.01857	7.1
232.99719	4.5
237.02831	24.5
239.04399	4.2
240.02275	0.9
241.00089	1.3
242.03372	1.6
243.01743	26.0
244.99687	2.0
245.05057	7.7
247.01285	10.6
247.04999	1.3
251.00699	1.8
255.01596	1.6
255.03935	1.8
256.99600	1.9
257.05185	1.0
259.01270	2.9
261.02832	90.9
262.03223	1.1
263.06168	1.1
265.02258	6.0
265.07529	1.0
267.07587	1.0
268.99631	1.8
269.06845	0.9
271.01068	1.2
273.02835	9.0
275.00558	2.4
277.02264	1.6
279.03891	38.3
285.04614	1.7
287.00601	2.2
287.05609	1.4
289.02393	5.7
291.03925	14.5
301.02142	1.8
302.05518	1.9
303.03775	1.8
305.01797	1.3
305.07196	1.3
307.03616	3.9
307.06662	1.1
309.05023	1.8
309.08282	1.0
313.02316	2.5
315.03787	1.9
319.03256	4.5
321.04947	37.6
321.10437	1.7
323.10483	1.1
324.04123	1.1
327.00171	10.9
327.05585	6.9
329.01837	1.4
331.03293	1.8
333.04932	7.3
337.04300	1.6
337.08276	5.8
339.09369	1.3
342.05542	1.2
345.01300	49.0
345.05594	1.8
347.02789	2.8
349.05066	2.7
351.05957	10.1
351.10016	1.0
353.07468	1.9
355.08978	2.4
361.03754	1.6
363.02252	5.2
363.06192	1.3
367.05505	1.0
367.10709	2.7
368.02936	1.7
369.10800	2.3
373.05359	3.1
375.05927	1.3
381.07129	9.3
383.08389	3.0
387.02371	49.0
387.07141	2.1
392.08334	1.6
399.02371	3.0
399.08185	8.0
401.08411	1.1
403.05325	1.4
405.03387	5.6
408.09354	1.6
417.03540	11.3
417.09109	1.5
421.07065	1.0
423.08444	1.3
427.07596	5.0
441.08954	1.3
447.04446	10.6
457.09143	1.1
464.09711	1.1
466.09909	0.9
471.04645	1.4
475.09360	1.0
481.07971	1.6
489.05524	11.9
489.12045	1.9
493.08911	3.1
507.05869	7.5
507.12265	2.4
509.08298	5.7
529.10718	1.2
571.18005	1.2
669.11658	45.0
670.11877	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	668.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	0.6
53.03942	0.9
55.01870	1.0
56.48883	0.3
57.03430	1.2
59.05003	2.1
62.58401	0.4
65.03939	1.0
69.03454	1.7
69.37374	0.4
71.01347	1.2
71.05002	0.8
71.52062	0.5
73.02888	0.5
77.03934	0.6
81.03402	0.4
81.07051	0.4
85.02916	4.2
87.04458	0.5
91.05486	7.3
93.07082	0.4
95.04991	1.0
95.72275	0.4
97.02900	7.0
99.00810	0.7
99.04458	0.7
103.05475	27.9
105.04564	0.3
105.06999	0.4
111.04491	0.5
113.02385	2.7
115.05480	0.7
119.04956	14.2
128.06268	0.7
129.07048	0.5
131.04939	100.0
132.05267	1.6
137.06007	0.4
141.01836	2.6
141.07007	0.7
143.04892	0.4
145.04962	4.1
147.04422	72.1
148.04771	0.9
149.05984	1.8
155.04948	0.5
157.06496	1.6
159.02924	0.6
159.04378	0.7
165.05539	1.8
167.07115	0.7
169.06511	0.5
171.04425	2.6
173.06039	1.1
175.03929	0.9
177.05502	0.5
183.04439	2.2
185.06029	3.2
189.05515	0.5
191.03467	1.7
197.06017	0.6
197.09666	1.4
199.03983	0.6
201.05431	2.9
206.08226	0.4
211.03987	0.6
213.05502	3.3
215.07004	2.2
221.09761	0.5
229.05060	1.4
231.06407	0.6
231.08318	0.5
241.05104	1.8
243.06516	1.1
257.02884	0.5
259.05988	4.2
261.07654	1.1
263.09183	1.0
269.04437	0.4
271.04532	1.4
277.08704	0.6
289.07025	3.2
305.06757	0.7
307.08133	13.9
323.07654	1.3
369.04868	0.4
417.08224	1.2
419.09799	1.0
435.09497	0.8
441.61502	0.4
453.11874	1.0
471.12900	0.7
478.77863	0.4
537.14178	0.5
547.12445	0.6
565.13458	1.6
583.13550	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	668.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03421	0.6
61.02870	0.7
67.05488	1.0
71.49502	0.7
71.51604	0.9
79.05473	1.6
80.05001	1.0
81.03397	0.5
81.07036	1.4
85.02904	1.0
87.32024	0.6
91.05452	2.1
92.04998	0.8
94.06523	0.9
95.04950	1.2
96.04473	0.7
96.20712	0.6
97.02861	0.9
102.06532	0.6
103.05444	1.5
104.04993	6.0
105.07030	1.2
106.06543	2.5
108.04470	1.6
110.06019	1.2
117.05749	1.4
118.06518	1.5
119.04820	0.7
119.08615	0.8
120.04438	2.2
121.06506	0.9
122.06034	6.7
130.06529	2.9
131.04927	2.0
132.04457	19.6
133.05257	8.6
134.05966	1.3
136.03934	1.5
136.07521	0.6
137.05995	1.0
140.03419	0.9
144.04501	0.7
145.06421	0.9
145.10062	1.2
146.05997	3.6
147.04332	1.2
147.06776	2.6
148.07611	1.0
149.04794	3.0
149.05861	1.0
150.05511	47.8
151.07501	0.6
158.06013	5.0
159.06772	0.7
159.08028	0.8
161.05981	1.3
163.07651	0.7
164.07069	6.0
173.09534	0.9
174.05470	3.9
175.06306	10.1
176.07074	2.4
177.05429	1.1
177.12674	0.7
178.04976	1.0
191.06993	0.8
192.06566	41.8
193.07166	1.3
202.04919	1.5
203.05759	2.4
206.08133	1.7
210.07623	100.0
211.07867	1.6
220.06046	10.8
225.71646	0.6
234.73735	0.8
238.07182	4.2
245.08347	0.6
248.09277	1.0
256.08102	0.7
266.10254	15.4
276.08643	1.6
520.18335	0.7
562.19220	2.1
580.20325	4.6
590.18658	1.7
598.21106	1.3
606.21771	0.7
608.20355	1.4
622.21222	4.6
632.19775	1.4
640.22443	50.3
641.22552	1.6
650.20740	6.5
668.21893	27.5
669.22162	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	668.2194
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00303	1.0
53.03937	1.8
54.19037	0.9
55.01868	4.4
57.03447	12.7
58.17100	0.8
59.05009	9.4
59.35103	1.0
65.03939	1.9
69.03442	10.5
69.31905	3.2
69.32331	5.0
71.01369	8.4
71.04982	3.4
73.02930	4.6
75.04474	1.7
79.05489	1.8
81.03406	2.8
83.01387	2.1
83.04960	1.1
85.02916	38.5
87.00851	1.6
87.04475	2.4
89.02386	3.3
91.05489	21.6
95.01340	3.0
95.04974	2.2
97.02907	28.5
99.00835	14.7
99.04455	4.4
101.06017	2.9
103.03954	2.7
103.05476	32.9
105.03399	2.2
107.04976	4.7
109.02885	1.7
109.10155	1.1
111.04427	1.2
113.02383	28.1
115.03947	2.2
115.05433	2.0
117.01871	2.7
119.04965	36.8
121.02851	1.3
123.00812	1.5
123.04433	2.3
125.02339	2.6
127.03918	3.5
128.06219	1.0
129.01862	2.1
129.07013	1.4
131.03532	7.0
131.04944	100.0
132.05264	1.5
139.03925	1.2
141.01842	12.2
141.07025	1.6
143.04869	1.0
145.04974	21.6
146.37148	0.9
147.04431	63.1
157.06528	2.8
159.02913	8.8
163.44446	0.9
165.07004	1.1
167.08592	1.8
169.10031	1.2
171.02998	1.2
171.04430	3.8
173.04375	1.0
173.06009	2.1
175.03984	1.5
177.03929	2.3
178.07742	3.3
179.08534	3.6
181.04980	1.0
182.07198	1.9
183.04417	2.5
185.06009	4.1
187.02382	2.3
191.03418	2.8
193.10101	1.3
197.07809	1.6
197.09645	31.1
199.15088	1.3
201.05475	4.0
202.07860	1.1
203.08606	2.3
204.09392	1.1
207.08040	1.4
213.05511	3.3
215.07076	1.9
221.09674	5.4
223.07602	5.9
225.09169	1.6
229.03323	5.0
231.08105	3.9
233.09665	4.8
235.07623	1.8
241.04939	1.3
241.08601	1.8
243.04993	2.7
245.09645	1.2
247.11195	2.1
249.09196	6.3
253.03447	2.3
257.02930	10.5
259.06030	3.7
261.09399	1.1
263.10883	2.3
271.04526	25.7
271.07486	1.3
273.09140	1.3
275.03983	6.6
277.08774	4.6
279.10300	1.8
289.07056	3.9
291.10370	2.5
293.11652	1.6
295.09634	4.4
303.07162	2.2
305.06473	1.1
307.08133	9.7
309.11221	3.5
331.09711	1.9
336.15323	1.0
341.04950	1.3
359.09213	1.7
361.10617	1.5
369.04602	10.5
387.05740	2.7
391.10876	1.0
401.07703	1.2
409.12796	1.1
417.08127	3.8
419.09286	1.1
435.09869	1.9
450.43033	1.1
453.11722	5.7
529.10321	1.1
547.12189	2.9
565.13617	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	667.3115
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56830	0.9
59.05002	2.6
59.20404	1.0
70.72877	1.5
70.73203	2.2
75.04483	42.7
78.26976	1.1
82.33401	0.9
82.86291	0.8
85.57407	0.9
86.65459	0.9
93.64501	1.1
105.67236	1.0
177.84567	1.0
221.10638	1.2
341.24887	0.9
358.92981	1.1
389.17624	1.2
404.20026	1.2
417.21115	1.8
431.18332	2.3
432.19528	1.3
445.20297	8.0
446.21069	4.5
447.22070	2.1
463.21851	1.3
469.64700	1.1
473.19992	4.0
474.20251	5.5
475.21454	4.3
489.22690	2.1
501.23376	1.2
505.22800	1.3
520.25159	1.4
533.26025	6.9
561.25385	6.2
565.24097	1.5
575.27057	2.5
593.27618	2.5
607.29425	5.1
621.27167	1.5
635.28668	1.5
636.29175	1.8
667.31281	100.0
668.31787	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	667.442
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	12.3
55.01865	5.9
55.05514	21.6
55.82142	3.0
57.03432	13.2
57.07083	46.5
63.16452	2.9
67.05510	32.3
69.03427	26.3
69.07081	19.7
71.04993	6.7
71.08641	40.1
71.51637	5.6
79.05502	24.5
81.03427	100.0
81.07064	45.4
83.04985	18.3
83.08624	27.8
85.02910	17.1
85.06544	3.8
85.10192	22.3
86.09708	6.4
91.05481	25.7
93.07042	19.2
95.04970	18.3
95.08619	43.0
97.02909	29.3
97.10169	10.2
99.04467	7.4
105.07047	22.8
107.04960	7.9
107.08587	9.8
107.72437	2.8
109.02892	21.5
109.06525	5.5
109.10153	17.8
111.04444	11.3
111.08105	6.9
115.05466	3.8
119.08601	18.3
121.06451	3.8
121.10125	7.7
123.11708	10.0
127.03925	19.1
129.07025	6.7
131.08601	7.7
133.06517	3.4
133.10153	8.5
135.04555	3.5
147.08098	5.5
147.11697	26.9
148.47261	2.9
149.09663	4.0
157.10165	7.1
163.11252	5.6
165.12758	8.1
169.72859	3.5
175.11214	9.3
178.25099	3.1
181.12190	6.2
184.07372	11.4
191.10661	4.6
193.12271	41.3
195.29018	2.7
211.13318	59.9
227.12654	4.2
239.23781	7.9
267.16074	14.7
285.17044	4.5
313.27396	36.0
319.15012	3.5
337.16428	10.2
355.17465	12.1
411.20047	11.7
523.40173	16.0
575.22949	5.1
594.40735	3.2
635.24554	8.3
649.42896	5.7
667.32513	6.0
667.44214	93.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.3517
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	1.4
61.02936	4.1
65.02418	1.1
67.05523	4.9
69.03442	2.4
71.01387	1.6
71.51159	1.2
73.02927	4.0
79.05476	2.6
81.07066	8.0
83.08624	1.6
85.02930	5.1
91.03990	1.6
91.05489	1.5
93.07082	3.2
94.31410	1.2
95.08643	2.6
97.02905	3.7
107.08616	2.8
109.02875	1.1
113.76912	1.1
121.10143	2.4
133.10172	2.3
135.11728	2.1
149.13249	2.6
159.11729	1.6
160.14305	1.2
195.13782	1.6
292.46582	1.3
365.91721	1.4
368.13278	1.3
434.95316	1.5
453.21011	15.0
582.86951	1.3
665.35181	100.0
666.35553	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	666.4343
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35484	0.4
55.01877	0.5
55.05268	0.7
55.05512	8.6
55.10772	0.4
57.03426	1.2
57.07080	17.5
59.04993	0.8
59.37746	0.4
62.06079	0.7
67.05505	11.1
69.07070	15.7
71.04993	1.7
71.08633	11.0
73.06559	0.5
79.05499	3.8
81.07056	15.1
83.04992	1.1
83.08626	15.4
85.06529	1.2
85.10194	5.3
86.63243	0.4
89.64726	0.4
91.05473	2.3
93.07047	9.7
95.08612	12.9
97.06540	4.1
97.10170	3.7
98.98479	0.7
99.08085	0.8
101.05985	0.6
105.07023	0.6
107.08595	7.5
109.10163	7.4
111.08079	3.8
115.07587	0.5
117.07033	0.7
119.08616	0.5
121.10153	3.7
123.11697	2.1
125.09637	1.5
129.09157	0.6
131.08583	0.9
133.10190	0.7
135.11732	1.1
137.13301	0.6
147.04367	0.5
149.13266	15.2
152.70978	0.4
155.01074	1.0
159.11685	2.4
166.16058	0.6
167.14325	5.0
177.12758	1.3
184.07471	0.6
195.13783	0.9
228.98828	0.6
231.15907	9.9
238.17969	2.8
239.23729	1.7
256.19067	2.5
269.17468	13.1
282.27954	2.0
287.18686	1.3
313.27332	2.1
469.27570	0.4
492.41144	0.5
525.41528	100.0
526.42041	2.7
528.34808	0.5
542.22302	0.5
550.44702	0.9
605.38055	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	666.494
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71894	0.6
55.01864	4.0
55.05519	7.9
57.03429	2.3
57.07074	1.2
59.05002	0.8
59.09959	0.7
59.82380	0.7
63.97390	0.6
67.05515	13.0
69.07070	9.1
69.17328	6.1
69.17729	1.2
77.03922	0.8
79.05502	6.8
80.78336	0.7
81.07063	36.0
83.04995	3.0
83.08604	3.6
85.06568	0.8
86.56921	0.6
91.05481	4.7
91.20475	0.7
93.07052	6.8
94.85312	0.7
95.08606	11.6
97.06523	1.3
97.10165	1.2
97.71697	0.7
98.21262	3.6
105.07045	4.1
107.08623	4.7
107.79422	0.8
109.06534	10.2
109.10176	4.3
111.04449	12.4
111.08057	1.0
119.08592	4.6
121.10147	5.3
123.08031	0.9
123.11729	2.5
125.05993	3.9
131.08585	1.8
133.10168	5.0
135.08051	2.3
135.11726	4.5
137.05988	100.0
137.13277	1.5
138.06319	0.9
143.08527	1.3
147.08083	1.8
147.11700	5.4
149.09673	3.6
149.13283	1.2
151.07539	2.9
157.10144	2.8
159.11732	1.2
161.09613	6.3
161.13251	3.4
163.11174	2.8
163.14828	1.4
165.09155	2.5
173.13231	0.7
175.11211	3.8
175.14781	1.2
177.09158	0.8
179.10742	1.5
181.12305	0.9
193.12234	1.2
202.18829	0.8
202.22083	0.7
203.17981	6.0
204.93756	0.9
213.16428	2.9
221.19043	1.3
231.17430	7.4
235.87669	0.7
249.18588	5.3
272.19006	0.9
277.18008	47.5
295.19049	6.2
337.27408	26.3
351.21686	18.4
361.16812	0.9
461.20807	1.1
613.44690	51.6
614.44470	2.0
631.45203	2.1
695.15338	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.3512
Annotation	Hirsutellide A
Peak:m/z	Relative Intensity
51.90368	0.7
53.03934	0.9
55.05505	1.6
57.03431	1.9
61.02925	3.4
67.05510	5.2
69.03430	2.2
69.07072	2.1
71.04996	1.2
71.51067	1.0
71.93367	0.7
73.02910	1.9
73.24323	0.7
79.05495	2.6
81.03405	1.4
81.07063	7.2
81.72960	1.0
83.05006	0.9
83.08652	1.1
85.02904	3.8
91.03949	2.6
91.05491	2.0
93.07048	4.2
95.04974	0.8
95.08616	2.0
97.02908	3.5
97.06524	1.3
99.08044	0.7
101.02413	1.3
105.07053	1.0
107.08591	3.3
109.06515	1.4
109.10146	1.1
119.08609	1.9
121.10152	2.2
127.03928	1.1
133.10173	1.6
135.11705	1.0
136.40294	0.8
149.02374	1.3
149.13307	3.2
159.11722	2.0
195.20747	0.8
208.32860	0.8
224.32248	0.9
235.13072	2.3
243.08429	1.9
269.17737	1.2
291.15665	1.0
453.20959	13.2
665.35095	100.0
666.35516	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.2221
Annotation	Unknow
Peak:m/z	Relative Intensity
70.20267	3.4
133.10217	1.1
182.38853	0.9
187.55444	0.9
236.83130	1.0
665.22247	100.0
666.22174	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	665.3511
Annotation	Hirsutellide A
Peak:m/z	Relative Intensity
53.03949	0.6
55.05513	0.9
57.03439	1.1
58.70817	0.3
60.98840	0.4
61.02927	3.3
62.92963	0.4
65.03979	0.4
65.81192	0.3
67.05511	3.4
69.03429	1.9
69.07079	1.1
69.76362	0.9
69.76776	1.2
70.06584	0.4
73.02921	2.4
73.95654	0.4
79.05491	2.3
80.70762	0.4
81.03432	0.7
81.07059	4.5
82.07228	0.3
83.04996	0.7
83.08631	0.9
85.02916	3.9
86.71481	0.4
91.03953	2.7
91.05484	1.9
92.07983	0.4
93.07051	4.0
95.04967	0.7
95.08613	1.4
97.02896	2.5
97.06544	0.8
98.21467	0.7
99.04440	0.4
101.02390	1.2
103.03960	0.5
105.07043	0.9
107.08588	2.3
109.02892	0.7
109.06554	0.4
109.10178	0.5
111.08080	0.5
116.14981	0.4
117.07079	0.6
119.08668	0.5
121.10160	1.1
123.11778	0.5
127.03965	1.3
131.08643	0.7
133.10175	1.0
135.11740	0.7
149.13309	1.7
159.11723	1.0
177.12845	0.5
185.04181	0.8
195.13832	1.5
203.05284	0.4
235.13126	1.8
237.74631	0.4
243.08429	2.1
269.17508	1.3
312.30701	0.4
453.20981	15.1
665.35132	100.0
666.35522	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	664.4785
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.7
55.01868	4.7
55.05516	6.0
57.03427	2.5
57.07077	1.9
59.04995	0.7
59.58565	0.7
65.03930	0.8
67.05180	1.2
67.05508	14.4
69.07071	6.6
69.17649	6.8
71.04976	0.8
79.05497	12.7
81.07059	34.6
83.04971	2.4
83.08610	2.4
87.04449	0.8
91.05487	6.1
91.05991	0.9
93.07050	10.4
95.04989	0.8
95.08053	1.2
95.08611	13.3
97.06555	1.2
105.07034	4.9
107.08601	7.2
109.06527	11.0
109.10144	5.3
110.17326	0.6
111.04452	12.1
111.08078	0.8
113.06014	0.7
117.07040	1.8
119.08579	5.5
121.10156	6.2
123.08081	2.0
123.11685	1.9
125.05993	4.8
131.08540	2.5
133.10141	5.9
135.08014	1.5
135.11737	4.7
137.05983	100.0
137.13243	2.4
139.07527	0.9
140.66518	0.7
142.07738	0.9
143.08582	1.8
145.10110	1.9
147.08035	2.0
147.11699	7.8
149.09581	3.4
149.13277	2.7
151.07523	2.2
151.11212	1.3
156.39157	0.7
157.10114	1.6
159.11681	0.8
161.09627	7.0
161.13278	3.0
163.11189	3.0
163.14853	1.1
165.09126	2.0
167.10730	1.0
171.11697	1.3
173.13310	1.1
175.11208	4.3
175.14818	1.3
177.12811	0.7
177.16335	0.7
179.10677	1.4
179.14262	0.6
185.13269	0.6
187.14793	0.8
189.12778	0.9
193.12234	1.2
203.17921	5.9
213.16388	1.9
221.19078	1.9
223.14816	0.9
231.17490	8.8
241.15932	1.5
249.18542	8.1
251.97668	0.7
261.22049	0.9
262.76633	0.7
277.17996	60.3
278.18372	1.4
279.19806	0.6
295.19101	10.1
302.08633	0.7
335.25827	27.4
336.26245	0.8
351.21631	19.3
369.22717	0.9
370.22549	0.8
450.04587	0.8
496.27789	0.8
519.47235	0.9
552.33252	1.0
611.43060	61.2
612.43201	2.7
629.44086	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.4545
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.5
55.05501	0.5
57.07086	48.1
57.07482	1.6
67.05494	0.5
70.11120	0.8
70.11520	1.4
77.03973	0.5
81.11640	0.5
87.04456	0.8
91.05492	6.4
95.04995	0.7
105.06982	2.0
117.06977	1.1
119.08514	1.0
132.09332	0.9
147.11710	7.1
152.06197	1.3
153.06995	3.2
158.71730	0.5
166.47990	0.5
175.01585	0.9
229.10164	0.9
233.03676	5.2
251.04741	15.7
294.98453	0.5
307.10907	1.7
327.07858	100.0
328.08029	1.4
383.14133	70.1
384.14554	2.2
410.93042	0.6
439.20422	60.8
440.20764	1.9
495.26706	73.0
496.26987	2.4
551.32959	94.7
552.33270	3.8
563.47375	0.6
593.92902	0.7
607.39178	56.8
608.39496	3.0
663.45477	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	664.4635
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	5.5
57.03439	10.6
57.07082	20.8
57.08279	0.8
59.05006	5.9
59.51267	0.8
61.02916	3.2
65.03949	0.9
67.05508	58.7
69.07059	3.9
70.46631	1.0
70.46951	1.6
70.47286	1.4
71.08294	1.4
71.08639	18.6
79.05474	1.9
81.07068	13.0
83.08617	10.5
85.02892	3.6
85.06522	1.4
85.10181	9.2
86.80782	0.9
87.04459	1.6
89.06030	2.2
91.03949	1.8
91.05470	4.0
93.07040	3.1
95.08614	16.6
97.02881	1.8
97.10172	3.3
103.07552	1.5
107.08590	2.6
109.10162	57.6
111.08097	1.8
111.11735	1.5
117.09090	1.2
119.08603	5.3
119.33050	1.0
123.11716	2.4
137.09625	2.5
145.88577	1.0
155.10695	5.0
173.11739	17.4
193.61313	1.1
229.14363	100.0
230.14740	1.2
239.23575	1.6
257.24881	1.8
259.42511	1.1
313.27374	78.0
467.37360	60.1
496.26166	1.5
535.24500	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	662.2975
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40741	1.1
57.07064	2.6
59.04979	1.7
66.23795	1.1
71.52614	2.2
83.75897	1.0
87.04462	12.1
118.13346	1.1
161.76868	1.1
189.89012	1.0
196.16939	1.2
223.12189	1.7
280.39532	1.1
305.39505	1.1
390.74701	1.3
401.17709	1.2
403.19305	2.3
405.21133	1.1
415.19391	2.2
417.20694	3.3
429.16718	1.8
431.18039	5.1
433.23920	8.4
444.19382	4.7
445.20438	5.9
446.17224	4.2
447.18121	4.6
448.18793	1.3
459.21848	43.2
460.22745	7.2
461.23969	5.4
473.23145	1.1
475.21310	14.8
476.21988	2.8
487.25241	2.2
489.22839	1.9
516.23480	1.3
519.23798	9.2
531.23523	1.9
533.21942	3.2
535.23413	3.3
545.25525	3.4
546.26074	3.0
547.27167	24.1
548.25488	1.5
562.25842	1.6
563.26251	4.1
574.24939	2.1
591.25751	3.4
593.23669	7.5
605.27661	7.3
606.28369	100.0
607.28577	5.9
622.27838	58.0
623.27661	2.3
662.29907	17.0
662.41919	1.5
662.44080	1.1
663.29028	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	662.4393
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.0
55.01865	1.3
55.05516	16.8
57.03430	1.2
57.07084	3.5
59.04994	0.7
59.60989	0.3
62.06095	0.5
62.89931	0.4
65.03934	1.3
67.05509	27.9
69.07074	20.8
70.47561	0.3
70.68896	1.1
71.04987	1.5
71.08626	1.6
72.90461	0.4
73.02901	0.4
73.06543	0.8
79.05498	9.8
81.07062	28.1
83.04988	1.6
83.08624	17.9
83.09135	0.8
85.06548	1.1
85.10184	0.4
87.04474	4.5
87.21268	0.4
89.72308	0.3
91.05497	4.9
93.07050	12.4
95.04948	0.5
95.08614	18.5
97.06545	4.5
97.10185	5.0
98.21188	0.4
98.98476	1.8
99.08120	0.6
101.06014	0.8
105.04518	0.4
105.07065	2.9
107.08601	8.3
109.10168	6.9
109.10880	0.3
111.08086	3.4
111.11674	0.5
113.09636	0.6
115.07574	0.6
119.08600	2.3
121.10156	5.4
121.48188	0.4
123.11723	2.5
124.01648	0.8
125.09637	1.3
125.13285	0.7
133.10118	2.0
135.11694	1.7
137.13240	0.8
147.11729	1.7
149.13264	9.2
149.14386	0.6
150.13722	0.4
155.01071	1.1
161.13281	1.0
163.14806	0.7
167.14322	6.6
175.14865	0.6
185.15364	2.1
210.18460	0.5
228.19653	4.2
241.18001	15.2
245.22601	0.6
259.19086	2.2
263.23721	1.5
300.68753	0.4
306.27866	1.1
337.27429	3.4
387.88995	0.4
447.38535	0.7
521.42047	100.0
522.42426	4.1
583.23767	0.5
587.53821	0.4
623.59595	0.4
630.43536	0.5
662.44000	0.7
676.36505	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	662.178
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66388	0.5
53.03942	0.8
54.36263	0.5
55.01629	0.7
55.01875	7.7
57.03164	0.8
57.03441	14.2
57.39465	0.5
57.56447	0.5
59.05006	4.4
61.02929	1.1
67.05514	0.6
69.03082	1.0
69.03436	13.1
70.06568	0.6
70.49446	1.6
71.01360	8.2
71.04975	2.7
72.08156	0.7
73.02924	4.7
75.04465	0.7
79.05480	0.8
81.03430	3.4
83.01344	6.7
83.04976	1.3
85.02913	55.8
87.00844	0.9
87.04477	2.1
95.01339	3.1
95.04962	2.0
97.02901	19.1
98.20726	0.5
99.00815	1.0
99.04453	1.5
101.02387	5.7
102.71818	0.6
103.03312	0.9
103.03953	10.2
107.05001	0.8
109.02874	2.6
111.00794	2.1
111.04462	1.8
113.02375	16.4
115.03931	2.4
119.03491	0.7
121.02902	0.7
123.00802	1.0
123.04426	2.3
125.02353	4.5
126.17586	0.5
127.03928	2.9
129.01851	2.0
129.05481	1.2
131.03409	7.9
133.02777	0.6
137.02367	1.4
137.05905	0.8
139.03917	1.8
141.01848	4.1
141.05437	1.2
143.03418	2.2
145.04968	24.0
151.03934	1.5
153.01816	2.1
155.03391	2.5
159.02901	31.3
163.03885	0.6
167.03412	0.9
169.04970	0.8
171.02881	1.4
175.02405	0.7
177.03908	2.0
177.33708	0.6
179.03305	1.4
183.02931	1.7
185.04463	1.7
187.02408	1.6
195.02974	1.1
197.04463	6.5
201.03960	1.8
209.04564	0.8
213.03935	1.9
215.01840	3.1
215.05487	0.8
223.08951	0.5
225.03976	7.8
227.01826	1.1
227.05525	0.9
229.03459	1.3
241.03461	1.0
243.01439	1.1
243.02415	0.7
243.05043	8.7
253.03531	1.3
255.05003	0.9
259.04477	1.6
261.06094	0.7
269.02896	0.8
271.04504	24.7
275.16821	0.5
281.03021	0.9
284.85999	0.6
289.05579	19.5
299.04041	3.6
317.05057	100.0
318.05408	1.6
327.03497	0.7
335.06281	1.5
345.04388	1.3
355.06738	1.2
371.05966	0.9
383.06073	2.3
401.07306	3.5
411.05402	2.1
429.06717	21.9
443.08331	1.4
447.07773	22.2
461.09338	4.9
517.80566	0.6
541.08417	1.8
559.09357	3.0
577.10095	0.8
591.12830	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	662.178
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.5
53.19855	0.9
55.01883	9.7
57.03441	25.9
57.08581	0.9
59.04715	1.4
59.05007	18.1
62.55076	1.1
67.05505	1.6
67.18191	1.0
68.54699	1.0
69.03436	16.8
69.43365	5.3
69.43799	3.3
71.01359	11.2
71.05000	5.4
72.08131	1.2
73.02924	9.7
79.05494	1.4
81.03432	5.8
83.01347	11.2
83.04994	1.9
85.02911	89.5
87.04469	5.1
95.01351	6.2
95.04977	3.5
97.02900	31.7
97.03526	1.7
99.04466	3.2
100.05820	1.1
101.02386	6.6
103.03948	13.6
109.02893	3.1
111.00805	3.7
111.04440	1.8
113.02377	30.3
115.03941	4.8
119.03414	1.4
123.00808	2.5
123.04423	2.7
125.02363	7.6
127.03896	3.5
129.01877	3.7
129.05495	3.3
130.05061	1.7
131.03394	12.9
135.04430	1.3
137.06068	1.2
139.03941	2.6
141.01865	6.7
141.05527	1.6
143.03412	2.5
145.04968	75.9
151.03926	3.1
152.66101	1.0
153.01839	4.3
155.03392	3.4
159.02905	39.9
167.03424	2.0
169.76219	1.1
171.02956	1.5
177.04010	2.2
183.02905	2.0
185.04539	2.4
187.02489	2.9
194.21001	1.0
197.04466	7.6
201.03973	2.6
209.04382	1.5
213.03928	2.9
215.01949	3.4
215.05670	1.5
216.36560	1.1
225.03952	13.5
227.05641	1.2
229.03432	1.4
237.04068	1.6
241.03410	1.7
243.05020	11.8
251.27354	1.0
253.03462	3.9
254.66864	1.1
269.03226	1.4
271.04504	27.8
272.81122	1.3
289.05563	20.9
299.03983	4.3
317.05057	100.0
318.05490	1.5
335.06079	1.9
353.04990	2.0
383.06247	2.2
401.07492	6.3
411.05676	2.9
428.13135	1.2
429.06680	38.0
443.08582	2.6
447.07745	25.9
461.09433	12.0
479.10214	1.5
541.08301	4.6
559.09253	4.6
572.33789	1.4
573.11029	2.3
591.11792	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.3799
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	6.7
55.01881	4.1
55.05522	13.9
57.03445	23.2
57.07069	3.5
61.02934	87.9
67.05515	47.1
69.03085	2.6
69.03436	35.5
69.07076	18.4
69.61240	8.7
71.01352	4.0
71.04983	5.0
73.02568	2.3
73.02927	28.8
75.04485	2.0
75.50535	1.4
79.05499	18.9
81.03424	25.1
81.06590	2.8
81.07066	47.5
83.04975	5.6
83.08627	11.8
85.02917	100.0
85.06528	2.8
85.10184	1.5
87.04469	5.6
87.48149	1.6
91.03965	60.5
91.05473	12.4
93.07051	18.8
95.04972	3.9
95.08614	45.0
97.02905	88.0
97.06529	3.5
97.10179	6.7
98.20802	1.6
99.04476	11.8
101.02383	6.5
103.03965	11.4
105.07033	11.7
107.08606	11.4
108.97253	1.3
109.02895	15.6
109.06519	2.4
109.10163	17.0
111.04453	4.6
111.08107	1.7
111.11701	2.7
115.03957	7.9
117.05511	4.1
119.08565	7.3
121.10152	10.7
123.11723	8.2
127.03934	38.0
129.05481	6.4
131.08586	3.4
133.10139	8.6
135.11697	7.9
137.13271	4.0
145.04953	23.6
145.10175	1.7
147.11670	7.2
149.13269	7.1
151.14851	4.2
157.10242	1.5
159.06548	3.2
161.13316	7.1
163.06035	4.1
163.14807	4.5
165.12828	1.4
165.16382	2.2
171.06604	3.1
175.14862	3.9
179.17921	1.4
183.06544	12.2
187.14845	2.1
189.16492	2.2
195.84250	1.4
201.07657	9.4
213.16467	1.8
245.22763	11.6
261.22192	2.6
263.23724	23.6
305.25098	2.7
317.24927	2.5
335.25787	2.1
337.27396	95.8
338.27661	4.0
353.24646	1.6
365.27039	3.9
371.25809	4.7
379.28342	1.8
379.66144	1.4
389.26917	2.4
445.29428	5.9
463.30429	4.6
481.31549	8.8
621.71564	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.2514
Annotation	Unknow
Peak:m/z	Relative Intensity
65.58264	0.8
71.11501	1.3
71.11836	1.3
95.08636	0.9
105.07098	0.7
131.04977	1.1
134.10533	0.7
150.59367	0.8
150.71606	0.7
152.65352	0.8
218.15303	0.8
269.12970	1.1
291.33353	0.8
359.12241	0.9
375.15530	3.0
387.14655	1.7
388.15884	1.1
389.16434	1.0
392.15967	2.0
400.15668	1.2
401.16196	4.7
403.17856	1.1
404.18472	2.2
413.16440	1.5
415.13458	2.2
415.18686	4.1
416.14606	5.0
417.19513	2.1
419.17123	1.9
425.16522	1.4
428.14853	1.8
429.15710	10.9
430.16364	3.4
431.17346	25.2
432.17853	1.8
433.18976	0.8
440.19064	2.5
441.15515	1.3
442.12613	1.8
443.12958	3.9
443.17343	8.3
444.18414	10.6
445.14664	1.2
445.19727	0.9
447.16693	1.0
453.15747	2.8
454.16449	2.6
455.17453	1.9
456.13699	1.6
456.19019	1.1
457.14993	31.6
458.15677	3.8
459.16583	1.1
467.17340	2.4
468.18362	6.1
469.19513	3.9
471.16644	10.2
472.17529	16.0
473.18481	2.5
474.15417	2.2
475.20306	5.4
481.14960	1.9
482.15860	2.4
483.16544	2.1
485.14398	1.5
486.19138	0.9
488.17294	2.1
489.17767	4.3
495.17099	1.4
496.17578	5.5
497.18210	12.9
498.18790	1.7
499.15656	3.8
500.16904	1.5
503.19788	3.8
504.20386	1.6
511.19995	1.6
513.18500	2.3
514.18665	3.4
515.19214	2.6
517.20953	3.6
524.16858	6.6
528.20123	4.2
529.20874	3.1
531.22089	3.3
541.18073	1.1
551.18512	1.4
553.20898	1.2
555.18652	1.5
556.19403	4.2
557.20313	1.3
558.21124	3.6
559.22009	1.9
560.22650	3.1
562.21210	1.3
569.20410	4.5
586.20856	1.4
587.21289	2.6
590.23907	5.5
597.19843	11.0
611.22607	1.1
618.23334	45.2
619.23999	27.6
620.24213	1.5
629.22534	53.5
630.22888	3.6
661.25049	100.0
662.25348	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	660.4238
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45280	0.5
53.03942	1.9
55.01858	1.2
55.05512	17.2
57.03428	1.8
57.07087	2.7
59.05011	0.5
59.84700	0.5
61.67489	0.5
62.06071	0.9
65.03928	1.0
67.05506	19.4
69.03432	0.6
69.07070	18.6
69.25598	4.2
71.04993	2.3
71.08627	1.2
71.66132	0.5
73.06577	0.8
79.05494	19.0
81.07062	20.6
83.04990	1.5
83.08622	16.8
85.06558	1.2
91.05481	8.4
93.07049	24.4
95.04981	0.9
95.08613	13.2
97.06529	4.7
97.10178	3.8
98.06059	0.8
98.98460	1.9
99.08075	0.8
101.06049	0.6
105.07029	5.7
107.08595	12.0
109.06470	1.0
109.10165	5.5
111.08083	3.4
117.07022	1.7
119.08572	3.6
121.10144	9.1
123.11713	1.6
125.09660	1.6
131.08600	3.2
133.10139	2.9
135.11674	3.5
145.10141	2.3
146.12727	0.5
147.11728	1.2
149.13271	9.8
155.01051	0.7
159.11690	0.7
159.45204	0.5
161.13289	1.0
167.14314	5.9
173.13289	1.4
175.14825	0.5
178.03217	0.5
184.07262	0.7
185.15421	2.2
206.16327	0.5
209.63414	0.5
228.19659	4.4
229.45564	0.5
241.17998	16.9
243.21288	0.6
259.19141	2.2
261.22250	2.8
271.65540	0.6
304.26428	1.0
315.27902	0.6
335.25912	2.9
348.38687	0.5
519.40472	100.0
520.40747	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.4237
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.3
55.05275	0.4
55.05516	6.8
57.03430	1.0
57.07074	0.9
65.03929	1.4
67.05510	33.9
69.06729	0.6
69.07078	10.9
70.11415	1.9
71.04993	3.2
71.08616	0.7
79.05070	0.7
79.05500	10.3
81.07063	48.4
83.04974	1.1
83.08612	4.0
85.06549	5.2
91.05481	5.8
93.07052	7.3
95.04964	0.5
95.08614	42.6
97.06538	1.6
97.10167	1.6
98.06064	0.6
98.21060	1.0
98.98451	1.0
99.08091	0.9
105.07027	4.9
107.08603	3.7
109.10161	5.2
111.08070	0.5
119.08616	4.2
121.10141	4.6
123.11711	3.5
125.09640	0.6
129.03214	0.4
133.10146	1.8
135.11687	1.5
137.13243	1.7
147.11673	4.6
153.12564	0.5
161.13242	0.9
165.12799	2.9
179.14020	0.4
183.13800	1.3
187.84232	0.5
193.15773	0.4
201.14902	0.6
208.16965	7.1
208.18773	0.6
226.18027	6.3
227.05539	0.4
257.17557	1.4
263.23648	2.1
306.14655	3.0
306.27792	0.6
319.26309	0.7
324.15863	0.7
337.27466	3.2
362.17307	1.3
380.18262	4.0
519.40491	100.0
520.40747	2.3
642.41272	7.2
660.25134	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	660.396
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.6
55.01869	1.2
55.05519	6.4
57.03441	4.3
57.07069	0.8
59.54926	0.6
61.02930	2.3
65.03940	0.9
67.05511	30.9
67.10580	0.7
69.03408	1.2
69.07076	9.3
70.02654	3.2
71.05010	2.5
73.02917	1.3
79.05067	1.3
79.05503	17.7
81.03434	2.6
81.07065	42.0
83.04997	3.8
83.08630	8.3
85.02903	2.5
85.06541	1.9
91.03947	0.9
91.05489	12.9
93.07054	29.6
95.04965	2.7
95.08614	10.8
97.02895	1.5
97.06558	4.5
97.10204	1.0
99.04470	0.7
99.08110	1.2
105.07036	5.5
107.08607	15.7
109.06548	1.1
109.10177	2.9
111.08106	3.3
117.06994	5.5
119.08567	4.1
121.06510	1.5
121.10159	7.7
123.08136	1.3
123.11735	1.2
129.07014	2.0
131.08601	7.5
133.10165	8.9
135.08025	1.7
135.11674	5.6
143.08589	2.3
145.10120	2.2
147.11739	1.5
149.09625	0.8
149.13271	13.3
155.08540	1.2
157.10069	0.8
159.11691	7.4
165.71666	0.6
177.12781	2.7
179.68315	0.6
185.27582	0.6
195.13823	7.7
213.14928	0.9
251.16498	1.2
263.81491	0.7
269.17505	29.4
297.25745	0.7
343.26364	0.9
353.24814	1.2
371.25797	2.0
389.26904	1.7
413.21628	1.2
445.29617	11.7
463.30591	100.0
464.30853	2.5
607.34796	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.3955
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	2.4
55.05509	7.6
55.92836	1.6
57.03445	9.6
59.39107	1.6
67.05507	34.4
68.76159	2.1
69.07072	11.6
70.06594	2.3
71.04993	3.3
71.50733	2.1
79.05498	17.5
81.06591	3.1
81.07061	50.7
83.04991	4.1
83.08617	8.9
85.06566	2.7
91.05486	13.3
93.07049	34.7
95.05006	2.9
95.08621	13.0
95.81779	1.6
97.06542	8.6
99.08065	2.7
100.89159	1.9
104.78173	1.9
105.07024	4.9
107.08598	24.4
109.06520	2.0
109.10173	2.5
111.08060	4.1
117.07008	6.7
119.08564	1.8
121.10126	12.6
128.54037	1.7
131.08563	6.3
133.10156	6.4
135.08153	1.6
135.11702	4.8
149.02348	2.2
149.13252	17.1
159.11711	7.1
169.30153	1.9
177.12749	6.2
193.05093	1.9
195.13844	6.8
234.12651	1.7
235.75258	1.7
269.17490	58.3
331.48053	1.8
386.09497	2.2
463.30548	100.0
464.30872	4.8
660.36084	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	660.3958
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28998	2.1
55.05503	7.8
57.03437	8.1
57.07100	2.1
58.10085	1.9
67.05510	33.9
67.11842	1.9
69.07072	11.0
70.06590	7.8
71.51654	2.2
72.13563	1.8
75.49664	2.1
79.05496	21.4
81.03401	2.8
81.07068	47.3
83.04972	4.0
83.08630	10.5
84.80525	2.2
88.07637	7.4
89.85120	2.1
91.05491	10.7
93.07053	34.4
95.08610	11.0
97.06547	8.1
102.09184	4.4
105.07038	5.7
107.08594	18.5
109.06518	2.7
109.10104	4.1
111.08092	3.5
117.07021	6.2
121.06487	2.5
121.10130	9.9
128.61372	2.0
131.08542	3.9
133.10120	5.3
135.11676	7.0
146.87859	2.2
149.02368	13.7
149.13268	14.4
150.02692	7.6
151.02910	2.5
159.11693	5.2
177.12801	4.2
193.04921	12.6
194.05331	8.9
195.05482	2.6
195.13823	6.3
256.26343	5.5
257.26651	6.1
269.17511	58.4
386.09409	6.1
387.09683	4.3
430.12238	5.2
431.12253	2.6
463.30588	100.0
660.36597	40.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.3639
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	7.4
55.01867	4.2
55.05514	8.1
57.03439	22.9
57.07067	1.9
59.04990	1.4
61.02932	82.1
65.03924	1.5
67.05508	35.2
69.03432	37.4
69.07064	7.4
70.56953	4.9
71.01346	3.9
71.04990	4.6
73.02924	26.5
75.04467	2.2
79.05495	25.3
81.03423	24.5
81.07060	38.4
83.01332	1.4
83.04981	5.2
83.08612	3.8
85.02911	100.0
85.06528	2.0
87.04459	4.9
91.03962	56.8
91.04538	3.1
91.05488	18.2
93.07047	30.9
95.04969	3.2
95.08612	27.3
97.02899	82.3
97.06506	1.6
99.04462	11.6
101.02393	8.4
103.03967	8.1
105.07027	12.6
107.08590	17.7
109.02880	12.0
109.10168	12.5
111.04465	1.7
111.08020	1.6
111.11837	1.3
115.03972	6.7
117.05515	3.7
117.07002	4.2
119.08610	10.9
121.10164	14.1
123.08070	1.6
123.11732	4.6
124.21239	1.4
127.03928	33.2
129.05464	6.2
129.07080	2.7
131.08592	8.7
133.10147	8.4
135.11687	11.7
137.09543	1.5
143.08531	1.9
145.04965	24.2
145.10150	8.2
147.11702	5.3
149.02400	1.8
149.13258	6.1
159.06396	2.4
159.11681	6.0
161.13275	5.1
163.05997	5.4
163.14810	3.0
173.13264	8.2
175.14867	2.8
175.48540	1.4
177.16452	2.1
183.06519	6.1
183.11688	1.6
185.13232	1.9
187.14822	5.3
195.45639	1.5
199.14868	1.5
201.07581	4.9
202.90990	1.3
202.92828	1.4
243.21031	6.1
256.26419	1.4
259.20483	3.7
261.22098	15.2
303.23209	2.5
307.75537	1.6
315.23315	1.5
327.23199	2.0
335.25818	60.9
361.57907	1.5
363.25189	3.0
369.24112	3.8
378.83401	1.4
461.28665	2.7
474.63873	1.4
479.30075	6.8
497.31137	1.9
512.16321	2.1
581.19940	3.3
659.35864	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	659.235
Annotation	Xyloccensin T
Peak:m/z	Relative Intensity
52.03011	0.9
61.96419	1.0
67.05506	1.4
69.34562	7.9
69.51332	1.1
98.20821	2.4
176.76617	0.9
321.37482	0.9
348.44858	1.0
384.11462	1.1
385.13013	2.5
386.14340	1.3
399.14529	3.4
400.15244	7.7
401.15921	1.7
408.12576	1.4
409.13058	1.4
410.15030	1.2
413.16040	3.0
414.16953	4.9
421.12823	3.3
422.13696	5.8
423.14584	5.9
424.15848	1.9
425.16547	2.1
428.18112	1.5
429.18878	3.2
435.14609	4.0
436.15439	6.5
437.16400	11.7
438.17068	1.9
439.18124	1.7
441.15485	1.6
442.16489	1.6
443.16592	2.1
449.15863	3.2
450.16623	3.3
451.18228	7.3
452.18396	3.5
455.17972	1.3
456.17566	1.3
457.18137	2.0
463.13474	1.3
464.14584	3.3
465.15244	3.9
465.20117	1.9
467.17065	4.3
469.15082	2.1
470.17264	1.3
477.16089	1.1
478.16245	4.0
479.17810	4.9
480.18491	4.9
481.19019	2.8
482.15353	2.1
483.16721	4.2
484.17371	4.8
493.19366	10.4
494.15253	1.5
494.19653	1.5
495.16602	5.8
496.17029	3.3
498.15164	3.9
506.15625	1.3
507.16351	4.2
508.17377	8.0
509.18640	5.5
510.19434	1.1
511.20142	2.0
512.16547	15.8
513.17206	1.5
516.23608	1.2
521.12311	1.1
521.18457	12.9
522.18646	4.1
524.15869	1.4
525.21613	1.0
526.14679	2.3
539.19135	3.1
540.19739	7.3
543.22351	2.9
553.20850	20.0
554.21564	1.3
571.21674	3.1
572.22021	7.8
581.20343	60.0
582.20758	4.1
599.21106	25.9
600.21588	9.3
609.19537	1.7
613.22998	21.8
615.28137	1.4
622.22363	3.2
631.23798	4.3
641.22485	100.0
642.22522	5.4
659.23419	31.2
660.23199	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	658.4083
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.2
55.05513	8.9
57.03427	1.9
57.07065	2.8
65.03929	1.1
67.05508	32.2
69.03430	0.9
69.06733	0.8
69.07077	10.5
69.81226	3.3
71.04985	3.1
71.08615	2.2
73.43630	0.6
77.77920	0.6
79.05497	19.2
81.07059	46.1
83.04990	1.3
83.08624	3.5
85.06551	5.7
85.10149	0.6
89.06026	3.9
91.05492	11.3
93.07050	18.7
95.04952	1.7
95.08614	43.6
97.06523	1.3
97.10180	1.4
98.06071	0.7
98.20767	1.2
98.98476	1.3
99.08108	1.2
105.07031	7.8
107.08611	6.8
109.06525	1.2
109.10158	4.0
117.07015	1.7
119.08566	5.6
121.10149	8.6
123.11713	2.4
131.08571	2.8
133.08572	1.7
133.10147	2.6
135.11682	2.9
137.13210	0.9
145.10132	1.5
147.11697	6.0
149.13293	1.1
159.11661	1.4
161.13249	1.0
165.12798	2.5
177.11244	1.3
182.71132	0.6
183.13817	1.4
187.81268	0.6
201.14774	1.4
208.16989	7.6
218.99702	0.6
226.18036	7.3
257.17526	1.5
261.22177	1.4
276.86823	0.6
291.84131	0.7
304.26682	1.0
306.14728	2.8
306.18060	0.6
324.15588	0.9
335.25809	2.7
362.17328	2.8
380.18512	5.1
492.26840	0.7
517.38916	100.0
518.39502	3.6
542.42041	0.8
640.39581	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	657.292
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88339	2.1
55.05487	2.2
57.07065	3.3
57.89641	2.1
59.05005	3.0
67.05505	6.4
69.07047	2.6
71.51556	4.4
71.82397	2.0
77.01016	2.2
79.05503	3.5
81.07058	6.4
86.36520	2.4
91.05440	2.6
93.07044	5.5
95.08603	8.6
97.06541	3.6
105.07028	5.2
109.10177	3.9
119.08548	3.7
121.46821	2.5
123.08102	2.2
131.08530	3.6
134.19121	2.1
147.11673	2.5
196.67194	2.4
208.02983	2.2
241.38199	3.5
249.14168	2.3
261.13922	3.3
273.13815	3.0
377.17859	3.4
378.19263	2.4
379.19366	5.8
391.19366	4.1
392.20471	2.8
393.16696	4.6
405.20801	3.8
407.18256	4.8
407.22864	4.1
409.20416	6.6
421.20117	9.9
422.20892	4.0
423.22012	17.7
435.21857	5.6
436.22708	4.3
437.23892	3.5
451.21149	6.7
453.22116	2.8
454.19864	4.4
461.23001	6.0
462.21237	3.7
463.21277	3.2
466.20837	4.0
467.24524	6.4
477.22842	7.6
478.23495	2.7
479.24207	8.6
481.22287	4.7
493.22366	8.4
494.25894	8.2
495.23557	16.8
496.24438	5.6
505.22354	2.9
507.23911	3.5
508.24728	16.1
509.25522	15.9
510.26379	13.8
511.27197	12.0
516.25018	3.8
521.25494	7.5
523.23340	5.3
526.29443	3.4
537.25287	22.1
538.25659	9.6
549.24994	4.8
553.27875	8.0
565.24347	3.7
566.24384	3.0
570.28491	4.1
581.27704	28.6
583.24896	7.5
597.27161	60.9
598.27460	7.1
607.24915	3.8
613.30347	70.1
625.26581	100.0
626.26801	5.8
657.29047	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	658.359
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	0.5
56.05021	0.3
57.07076	7.4
58.06600	2.8
63.92123	0.3
64.85342	0.2
65.03927	1.3
67.05502	0.3
68.05000	0.4
70.06595	20.6
71.08629	2.5
71.50459	0.3
72.08135	0.8
74.06071	0.5
81.07043	0.3
84.08134	0.6
85.10161	0.8
86.09692	0.4
88.07635	22.6
95.04934	0.6
102.09184	15.4
103.05444	0.4
103.23160	0.3
105.03387	0.6
121.02797	0.5
131.04912	0.6
132.10172	0.4
137.20790	0.3
139.03896	0.4
146.11760	0.6
147.04443	1.3
149.02351	45.8
149.03401	1.6
150.02531	0.4
175.03928	1.5
177.05464	1.3
191.07076	0.5
193.04973	54.8
194.05312	0.6
211.21640	0.3
212.23743	1.0
219.06540	1.3
225.05450	0.9
231.09285	0.3
237.07591	14.4
256.26364	47.4
257.26703	0.8
269.04486	1.5
297.03900	2.8
300.28943	2.4
313.07068	2.7
332.90302	0.3
341.06564	11.7
342.07004	0.4
359.07590	7.6
385.09198	22.2
386.09518	0.5
403.10013	0.4
429.11835	29.9
430.12238	0.7
460.09021	0.3
640.34406	1.3
658.35901	100.0
659.36261	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	657.1793
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19571	0.5
50.92381	0.5
55.01859	0.7
55.05530	0.5
56.96576	0.6
69.03431	1.2
70.66016	0.6
70.66330	1.3
71.01396	0.7
81.03429	1.2
81.07059	2.8
83.04993	0.7
85.02907	2.1
91.05495	1.4
93.07030	0.8
93.17988	0.7
95.04963	0.5
95.08620	1.1
97.02908	2.3
99.32402	0.5
103.05495	0.7
105.07037	0.8
107.08640	0.9
109.10181	0.7
109.87787	0.5
110.07325	0.5
113.02392	0.8
119.01057	1.1
119.08585	0.7
121.06501	0.6
131.01985	0.6
131.04973	1.7
133.06526	0.6
151.00040	1.9
153.01656	2.1
158.34625	0.5
163.00084	3.5
165.09183	1.0
181.01175	0.8
181.10234	0.8
185.04204	4.2
187.07538	0.6
197.20561	0.6
226.96556	0.7
227.19109	0.6
296.48026	0.5
311.03900	1.2
315.06848	0.8
319.09460	4.0
343.06305	2.8
347.05917	1.2
361.07584	0.8
378.89761	0.6
379.08566	3.9
413.08994	0.5
415.11703	0.9
431.11365	0.7
433.12741	1.5
473.10818	0.8
477.11264	0.9
509.12668	2.9
511.12457	1.3
561.13824	1.1
589.13074	2.4
607.13342	1.1
621.15741	14.0
625.15289	14.3
639.16833	4.5
657.17932	100.0
658.17993	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	657.2557
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07042	4.5
58.69705	3.5
63.19404	4.2
67.05499	9.5
71.51615	5.6
79.05482	6.7
81.07064	7.5
91.05482	4.7
93.07089	5.3
95.08600	4.4
105.07020	4.1
113.75391	5.8
117.35204	4.4
132.08081	8.9
168.53410	4.5
201.10147	6.9
203.20944	3.7
209.10767	5.3
220.09651	7.4
221.10806	8.3
223.12106	4.1
229.09726	28.3
235.12288	11.6
237.10272	10.1
249.10179	10.9
250.10968	4.4
251.11827	4.2
263.11768	15.7
264.12732	4.8
265.13388	4.7
276.11322	6.4
290.12796	9.6
297.15878	5.4
302.12833	6.4
303.13565	4.0
306.12375	5.2
307.14417	11.6
309.16113	6.3
322.15652	8.1
323.13748	6.0
325.15533	14.1
332.13953	16.4
334.15591	30.3
337.15311	14.9
346.15491	17.2
353.17804	4.3
367.15686	4.0
380.16806	4.7
383.16116	4.6
385.17599	26.8
392.16324	4.9
393.16980	7.3
395.18469	6.5
397.17413	23.6
404.16821	4.1
405.17392	5.6
406.17780	5.7
419.18451	8.8
437.19562	7.1
449.19730	4.2
451.21478	7.0
465.22934	4.8
466.20447	4.4
479.20728	5.4
483.23941	8.2
492.21594	5.1
493.22324	16.1
506.19617	4.6
507.23770	11.6
511.23410	17.3
521.21735	7.0
522.22357	5.0
525.24963	22.2
526.26019	20.2
535.23468	41.9
541.24548	12.6
553.24384	38.2
569.23932	5.3
571.25549	17.6
581.23706	6.4
585.27032	6.8
595.25488	100.0
596.25452	10.1
611.24774	14.6
613.26764	48.5
615.24854	18.9
639.24725	9.4
657.24884	15.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.1794
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.0
56.94323	1.0
62.90298	0.8
64.38543	0.8
67.05516	1.4
69.03431	1.2
71.05002	0.9
71.52082	0.9
72.93802	2.1
79.05492	1.7
81.03403	1.5
81.07073	2.0
85.02932	2.3
90.94817	1.1
91.05484	2.5
93.07036	0.9
95.04958	1.1
97.02904	2.2
103.05463	1.1
105.07062	0.9
107.04937	0.9
107.08626	1.6
109.10155	1.3
113.02437	0.8
113.13681	0.7
118.73997	0.8
119.01072	2.3
119.08609	1.9
121.06487	0.9
121.10152	0.9
128.96378	1.2
131.02040	0.7
131.04932	3.7
132.95853	0.9
135.08080	1.3
144.95845	2.5
151.00069	1.2
153.01573	5.0
153.05501	1.0
159.01416	1.2
160.95418	1.1
162.96938	1.3
163.00047	7.4
165.09171	2.3
167.07133	1.1
169.10037	1.1
172.95399	0.9
181.01076	0.9
184.95378	3.0
185.04276	4.1
186.96825	0.8
189.49576	0.8
190.96460	1.1
202.96375	1.0
205.10284	0.9
217.03255	1.2
226.96434	1.5
233.09418	0.7
237.16376	0.8
238.96379	1.0
282.95325	0.9
283.04233	0.9
285.07382	1.5
311.03879	2.7
319.09436	4.8
326.36063	0.9
335.03558	1.1
342.03714	0.9
343.06555	2.6
347.05978	3.4
379.08514	4.4
413.08725	1.5
415.11502	1.1
431.10901	1.3
433.12607	1.7
466.88800	1.1
477.10727	3.5
495.29794	0.9
509.12714	2.1
561.13940	1.3
589.13257	8.5
607.13727	4.3
621.15839	12.7
625.15308	67.6
626.15503	2.7
639.16455	4.8
657.17920	100.0
658.18152	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.5098
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	15.3
55.45058	2.8
57.03391	2.9
57.07072	24.5
59.05006	8.0
64.37175	2.8
65.03926	3.3
67.05510	100.0
68.81008	2.5
69.07068	5.0
69.83611	2.4
70.63025	2.3
71.08649	13.1
71.51965	2.9
79.05497	6.0
81.07066	40.2
81.94254	2.7
83.08627	13.6
83.92659	2.6
85.06507	2.7
85.10173	10.8
85.92046	2.4
91.05487	7.6
93.07034	3.8
95.08614	24.9
100.07622	4.7
102.77863	2.4
107.08604	5.1
109.06509	7.7
109.10166	75.1
111.04423	8.8
119.08585	6.8
121.10186	3.5
123.11747	2.8
125.06021	4.0
137.05997	72.0
137.09586	3.6
149.09631	5.1
155.10675	5.1
161.09604	3.6
173.11755	13.1
175.11272	4.1
179.10730	3.8
203.17984	2.6
213.16193	3.1
231.17427	7.0
249.29585	2.7
277.18030	47.0
287.43726	2.9
295.19028	9.6
313.27304	19.7
351.21671	7.5
367.81128	2.6
383.24329	73.4
467.37390	89.5
468.37708	3.2
589.44611	58.6
621.46857	8.4
656.50574	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	656.2556
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.4
55.05499	0.4
57.03454	0.4
58.05635	0.5
67.05494	0.5
69.77261	1.4
69.77684	0.9
79.05492	0.9
81.07050	0.7
83.04948	0.5
85.02950	0.9
91.05476	1.6
93.07040	0.7
95.04958	1.7
95.12345	0.4
97.02873	0.6
103.05478	0.4
104.04919	0.4
105.03434	0.4
105.07026	1.5
107.04987	0.4
107.08587	0.7
108.04465	0.4
109.06493	0.6
115.05447	0.6
117.05776	6.2
117.07040	0.7
118.06517	0.6
119.08597	0.7
121.06487	0.9
122.06065	0.4
123.08049	0.4
125.06016	0.6
128.06252	0.7
129.07004	0.9
130.06514	1.6
131.04915	0.6
131.07323	1.8
131.08565	0.8
132.04453	1.7
132.08104	27.3
133.06404	0.5
133.10101	0.5
135.08093	0.6
136.07640	0.5
137.04901	0.5
137.05972	1.1
142.07765	0.7
143.08560	0.8
145.05229	4.3
145.06488	1.0
145.10114	0.7
147.08041	1.0
147.11707	0.5
149.06029	0.8
150.05505	0.6
151.07558	0.8
157.10133	1.6
159.08073	0.7
160.07596	48.1
161.06007	0.7
161.07961	0.9
161.09630	0.9
163.07547	0.6
167.07013	0.8
171.08151	0.6
175.07558	1.0
175.11223	0.7
178.08647	62.6
179.08932	0.6
185.09660	0.8
188.07095	1.7
189.09061	1.0
190.78163	0.5
194.14023	0.4
201.09143	1.0
203.10684	0.5
206.08144	100.0
207.08536	1.3
213.09151	0.7
219.10132	0.7
223.97946	0.4
224.09189	9.6
247.09688	0.5
258.46390	0.4
262.10797	1.3
265.08563	0.8
277.10855	0.5
390.29153	0.5
480.19824	0.4
512.37561	0.4
518.19684	0.5
560.21173	1.3
578.22296	2.9
596.23346	0.7
602.22156	0.8
620.23401	8.0
621.23914	0.5
638.24481	45.7
639.24561	1.7
656.25531	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	656.2553
Annotation	Unknow
Peak:m/z	Relative Intensity
56.83906	0.4
57.03434	0.4
60.91272	0.4
65.98260	0.5
67.05534	0.5
69.03453	0.4
69.52337	2.9
74.56216	0.5
79.05494	1.3
81.07066	0.7
82.71926	0.4
85.02859	0.4
91.05496	1.6
93.05791	0.5
93.07042	0.5
94.57426	0.4
95.04989	0.8
97.02922	0.4
98.21392	0.9
98.22363	0.4
103.05473	0.5
105.07056	2.5
107.04961	0.8
107.08612	0.7
108.04471	0.6
109.06491	0.8
112.21581	0.4
115.05441	0.8
117.05759	7.7
117.07065	1.2
118.05011	0.6
118.06519	0.6
119.08578	0.7
121.06445	0.9
126.73030	0.4
128.06245	0.7
129.07031	1.0
130.06520	1.5
131.04980	0.6
131.07317	3.0
131.08580	0.6
132.04478	1.1
132.08101	27.9
133.06490	0.9
133.71602	0.4
134.09674	1.4
136.07579	0.7
137.63303	0.4
143.08528	0.6
145.05238	3.8
145.06496	2.0
145.10182	0.5
147.08080	0.7
149.06042	0.7
150.05537	0.5
155.08609	0.6
157.10127	0.5
159.08020	0.9
160.07593	47.8
161.05992	0.8
161.07965	0.7
161.09631	0.6
163.07591	0.9
171.08058	0.7
173.06004	0.5
173.09647	1.4
175.07587	0.6
177.09142	0.5
178.08646	64.5
179.08974	0.7
183.08127	0.6
185.09636	0.8
187.07573	0.7
188.07053	1.4
189.09062	0.4
191.07072	1.0
201.09135	2.2
203.10709	0.5
206.08136	100.0
207.08420	1.3
213.09123	0.8
217.08582	0.8
219.10130	1.3
219.22133	0.4
224.09198	14.8
229.08627	1.5
231.10147	1.1
234.11215	0.7
247.09656	0.9
262.10779	7.6
277.10526	0.5
280.11871	6.0
283.34967	0.4
408.29428	0.7
412.60989	0.4
434.15286	0.8
470.18018	0.7
494.73157	0.4
512.18909	0.8
518.20020	0.8
530.20105	1.3
542.19611	0.6
548.21271	0.9
560.21313	2.6
572.20752	0.5
578.22656	3.1
602.21820	1.3
620.23303	6.1
638.24475	32.3
639.24554	1.1
656.25598	6.4
680.08350	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3905
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.0
53.38654	0.7
53.58566	0.8
55.05516	7.1
57.03448	5.2
57.07081	50.0
61.02650	1.0
61.02933	15.7
61.13937	0.9
67.05180	1.0
67.05514	12.5
69.03414	2.1
69.07075	8.4
69.38950	6.0
71.04998	0.8
71.08641	38.0
73.02923	5.3
75.04473	2.4
81.07066	19.0
83.08626	13.1
85.02441	1.1
85.02917	15.9
85.06537	0.9
85.10191	19.8
89.06049	1.6
91.03963	15.0
93.07072	1.1
95.08617	27.8
97.02898	7.5
97.06520	0.8
97.10184	6.6
99.04462	1.0
99.11730	1.7
103.07628	1.4
109.10165	14.1
111.11715	1.5
123.11737	5.5
125.13253	0.8
127.03939	4.8
137.13271	2.5
145.04987	6.1
151.14842	1.6
163.06059	8.6
181.04106	0.8
221.22752	1.2
239.23727	32.4
239.26151	1.7
257.24750	4.6
313.27399	100.0
314.27545	2.0
331.28485	16.3
401.32443	0.7
407.22687	1.1
419.18698	1.4
427.43988	0.9
433.20328	2.9
435.21851	1.2
461.20193	1.1
462.20459	1.6
463.21423	1.3
487.21487	1.0
489.19232	1.7
491.21167	0.8
501.22986	1.5
521.25604	1.9
530.39178	0.8
533.25732	1.0
549.25006	2.3
555.42957	0.9
561.25092	2.1
563.23096	2.4
564.23541	2.0
577.24200	1.5
595.25006	0.9
605.23737	2.6
619.25525	6.7
637.26636	12.7
638.26428	1.0
655.17102	1.0
655.27667	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	656.255
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75104	0.4
55.01900	0.6
57.37326	0.4
67.05492	0.5
69.29103	1.8
69.29539	2.1
79.05497	0.8
81.07063	0.6
85.02903	0.6
91.05479	1.4
93.05861	0.6
93.07048	1.0
95.04977	1.1
103.05500	0.5
105.07041	1.7
107.04986	1.1
108.04517	0.5
115.05470	1.3
117.05761	7.6
117.06973	0.9
119.08622	0.9
121.06521	1.3
121.10202	0.7
122.06015	0.6
123.04458	0.6
124.03938	0.5
129.07025	1.1
130.06554	1.4
131.07320	2.5
131.08487	0.9
132.04422	1.2
132.08095	30.3
133.06509	0.9
133.10233	0.5
135.04466	0.6
136.07585	0.7
137.06035	0.8
142.07854	0.5
145.05240	4.8
145.06474	2.3
145.10139	1.0
147.08084	0.8
149.05930	0.8
151.07457	0.5
155.08522	0.6
158.05936	0.5
159.08043	1.0
159.11613	0.6
160.07585	50.1
161.05966	0.9
161.07967	0.7
161.09657	0.5
163.07497	0.9
167.07137	0.7
173.05980	0.6
173.09641	1.3
175.07535	1.0
176.07167	0.6
177.09099	0.6
178.08640	58.6
179.08952	0.8
183.08047	0.5
185.09604	0.9
187.07587	0.8
188.07089	2.0
189.09108	1.4
190.08659	0.7
191.07016	1.2
201.09044	2.9
203.10725	0.5
206.08131	100.0
207.08463	1.9
213.08997	0.6
219.10103	2.6
224.09187	15.7
229.08681	1.5
231.10059	0.9
234.11331	0.5
241.08578	0.5
247.09608	0.9
259.09723	0.8
262.10779	5.4
280.11813	3.2
337.12592	0.5
377.90683	0.4
452.16718	0.6
470.17990	0.9
494.29321	0.5
500.18787	0.9
512.18817	0.6
518.20087	0.7
530.20038	2.1
542.20380	1.2
548.20978	1.6
560.21088	2.7
574.77136	0.5
578.22235	2.9
596.23822	0.6
602.21912	1.3
620.23248	5.5
638.24438	43.8
639.24188	1.7
656.15771	0.6
656.25464	7.6
657.25208	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3164
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16193	0.6
53.03944	2.7
55.01868	0.8
55.05514	19.3
56.66290	0.7
57.07081	22.3
65.03932	1.2
67.05508	1.2
68.25906	0.6
69.07070	1.0
69.29230	2.3
69.29652	4.0
71.05011	4.7
74.52950	0.6
77.03951	0.8
79.05467	0.6
81.07062	0.7
83.04988	100.0
91.05487	6.5
93.07057	1.3
95.04999	1.9
95.08573	1.0
98.20918	2.1
98.21580	0.9
98.98465	6.9
100.11255	1.2
101.06026	0.9
103.05455	0.9
105.07039	2.2
107.08638	0.7
115.05471	1.7
117.07030	1.4
119.08604	1.7
128.06218	6.4
129.07014	14.6
133.10173	1.4
141.07010	3.6
145.06505	1.4
147.08055	8.3
147.11699	13.6
151.01576	3.9
155.06088	1.4
157.07651	2.9
159.08134	1.8
161.13237	1.2
169.07678	1.4
170.10867	0.7
175.01573	46.2
181.02618	74.8
185.13287	1.2
187.01639	2.0
189.16371	0.7
199.03725	2.7
209.03802	1.0
211.32239	0.7
222.05280	0.8
227.04695	28.2
231.07738	3.1
239.04800	3.7
243.07903	0.8
257.05725	10.2
257.08258	0.8
259.17114	0.8
266.62497	0.7
275.06750	1.3
283.10947	11.0
303.77646	0.8
313.12000	46.8
314.12448	0.7
331.13184	2.3
337.02087	0.7
369.18295	21.5
487.12952	4.3
523.14551	0.7
543.19104	40.1
544.19714	1.0
594.24847	0.9
599.25385	86.5
600.25732	2.6
612.26184	1.0
613.05865	0.8
655.31598	68.0
656.31738	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.317
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	5.4
55.05268	2.1
55.05519	24.3
57.07088	23.3
65.03957	1.8
67.05510	3.5
71.05009	5.9
71.51605	2.1
71.52032	2.0
72.94211	1.7
79.05514	3.0
81.03419	2.2
81.07069	5.4
83.04996	99.0
91.05501	10.0
91.09429	1.8
93.07048	3.6
95.04991	2.8
95.08589	2.7
98.98470	8.6
105.07047	4.3
110.98413	1.9
115.05506	2.5
115.56088	2.2
128.06241	7.6
129.07039	17.0
131.08578	1.9
133.10179	4.3
141.07086	2.7
145.06541	2.9
147.08076	12.2
147.11700	14.5
151.01567	3.6
157.07594	4.3
159.08197	1.8
175.01596	46.3
181.02631	78.7
187.01579	2.7
227.04698	25.9
231.07935	3.4
239.04764	5.8
257.05783	8.1
259.16901	3.0
283.10928	7.0
313.12039	51.4
331.13052	4.2
369.18311	28.7
391.57950	1.9
446.04422	2.1
487.12592	4.2
543.19189	61.9
599.25446	100.0
600.25818	2.9
655.31543	42.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.2767
Annotation	Coproporphyrin I
Peak:m/z	Relative Intensity
53.17652	0.7
60.80863	0.7
72.05427	0.8
76.80860	0.8
77.29619	0.7
79.05507	0.8
93.07030	1.0
183.09105	1.2
203.08409	0.9
204.25227	0.8
223.12361	1.3
227.11824	1.6
236.13177	0.8
237.13551	0.7
246.31313	0.8
286.13467	1.2
300.14890	1.5
302.16614	1.2
314.13086	1.0
328.14584	0.8
330.16049	0.9
340.14352	0.9
341.15570	1.0
383.12698	1.6
387.15698	1.1
389.17783	1.6
390.18643	0.9
391.19272	1.3
393.21017	0.9
398.15060	1.6
401.17712	1.6
402.18143	2.3
403.19110	2.4
404.20148	1.5
414.18423	1.1
415.19077	2.5
416.19940	2.2
417.21194	4.4
418.21570	1.5
419.22751	1.4
429.20764	2.0
430.21454	2.5
431.22284	3.0
433.16360	1.2
435.21964	1.3
443.18195	1.4
445.20099	1.3
447.17450	1.6
447.22763	1.3
449.19647	1.7
457.20642	1.1
458.17383	1.2
459.22113	2.1
460.22015	0.8
461.20157	1.1
475.17053	1.2
477.18771	1.4
485.19452	0.9
487.21011	2.7
489.19257	3.2
491.20160	6.0
493.18250	1.3
501.23331	4.7
503.20981	1.2
505.22025	2.4
507.21262	1.1
517.22076	2.5
519.23730	1.1
521.21344	1.1
531.24091	1.3
533.26038	1.7
535.23840	3.8
537.25000	3.7
545.22314	1.3
549.24042	0.9
559.23615	7.7
561.25244	8.9
563.22925	9.7
564.23718	7.7
577.24426	12.5
578.24841	1.5
579.25916	1.4
587.23962	0.9
591.26056	1.9
593.27234	3.1
595.24951	0.9
605.23999	17.4
608.22632	1.1
619.25598	32.9
623.24670	1.4
637.26617	100.0
638.26080	2.4
655.27826	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	655.3131
Annotation	Unknow
Peak:m/z	Relative Intensity
62.51922	0.3
81.07082	0.5
91.05518	0.4
95.08627	0.5
110.72823	0.3
128.08244	0.3
287.75992	0.4
341.06931	0.4
357.69043	0.4
375.29916	1.0
377.17773	0.6
379.19339	0.4
389.80661	0.3
390.18625	0.4
391.19473	1.6
392.19962	0.8
393.20953	0.5
405.16409	1.7
405.21500	0.7
406.17642	0.5
406.22189	0.6
407.22501	4.0
418.17664	0.8
419.18228	2.9
420.19528	1.2
421.19913	1.5
421.30447	0.8
433.20563	5.9
434.16867	0.4
434.21225	4.4
435.21866	9.1
436.22836	0.6
446.21262	0.4
447.17822	1.6
447.22260	1.8
448.18979	1.3
449.19308	2.0
461.19693	1.2
461.24548	0.7
462.20364	4.8
463.21249	3.9
475.21301	2.0
476.22174	1.2
477.23215	1.6
479.20560	0.5
489.22772	1.2
490.23819	0.5
493.21796	0.7
495.24377	1.2
506.23541	0.4
507.20404	0.6
508.24805	2.5
508.32925	0.8
509.25714	1.5
521.25690	11.8
522.26282	0.5
535.26453	1.2
540.27319	0.7
549.25018	22.5
550.25439	1.0
553.24615	1.0
563.26898	3.7
564.27136	0.8
567.28326	0.4
577.24500	0.8
581.27789	3.1
595.29358	10.0
596.29938	0.6
607.29456	0.5
609.17548	0.8
609.27124	11.8
623.28790	1.5
655.31256	100.0
655.40228	6.5
656.31592	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	655.2767
Annotation	Cryptophycin 1
Peak:m/z	Relative Intensity
57.07081	3.8
57.57366	1.7
70.99660	1.7
71.08637	3.0
71.51698	2.1
79.05493	2.2
81.07047	3.4
85.02912	2.1
95.08623	3.3
121.06551	1.7
151.14839	2.0
168.97743	1.7
179.90208	1.6
239.23799	1.7
313.27469	5.0
379.19864	1.9
407.22418	5.0
419.19031	5.2
421.20297	2.4
433.20325	8.4
434.21088	6.9
435.21967	7.0
449.19965	2.5
462.20761	2.9
463.21387	4.7
521.25677	7.7
523.26550	2.2
535.22833	2.6
549.25317	11.0
577.24475	5.8
595.25415	4.2
605.23993	3.7
637.26398	17.8
655.27631	100.0
656.28259	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	655.2759
Annotation	Unknow
Peak:m/z	Relative Intensity
58.47939	5.4
59.43093	5.4
98.21606	11.4
239.15521	6.8
254.84355	6.3
327.47690	6.8
357.15695	6.6
475.21353	25.0
535.22961	8.1
563.26428	13.1
605.24591	7.9
622.27875	100.0
623.25348	11.8
655.27777	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	655.2213
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11060	0.4
55.01872	1.0
55.05520	0.5
57.03429	0.7
67.05502	1.5
69.03429	2.5
69.07064	0.5
70.06577	0.4
71.04983	0.6
71.28391	0.8
79.05482	0.9
81.03423	1.8
81.07072	0.9
83.04992	1.0
85.02908	2.7
87.00816	0.6
91.05487	2.3
93.07063	1.2
95.05001	1.1
95.08609	2.0
97.02923	1.3
97.06547	1.0
99.00792	0.6
99.04478	0.7
103.05492	1.0
105.07034	1.4
107.05000	0.7
107.08616	1.6
109.02861	0.6
109.06554	0.8
117.07020	0.8
119.08606	1.6
121.10153	1.0
123.04463	0.7
123.08049	1.0
127.03926	1.3
128.06297	0.6
131.04932	1.4
131.08578	1.8
133.06476	0.5
133.10098	0.7
135.08028	1.1
137.06033	0.5
137.09662	0.7
139.89075	0.5
143.08578	1.2
145.10178	1.5
145.24127	0.6
147.08069	0.8
149.09663	1.0
159.08072	1.4
161.09669	1.9
163.07588	0.6
165.09129	0.6
168.09525	0.5
173.13309	0.9
177.09152	0.6
177.58669	0.5
183.11809	0.7
189.09146	0.5
199.11133	0.7
201.12831	1.5
215.14560	0.5
219.13841	0.8
227.73946	0.5
229.12222	1.1
245.06462	1.1
247.13199	0.9
269.11676	0.6
316.49667	0.5
317.13596	1.6
347.14636	4.1
389.15817	1.0
407.16714	10.3
408.17258	0.6
435.16293	6.7
449.17880	0.9
509.19797	0.6
551.20917	1.9
558.09662	0.7
569.22107	12.6
611.23114	35.9
612.23438	1.6
655.22131	100.0
656.22650	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	654.4944
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.0
55.01868	3.1
55.05275	1.7
55.05517	27.1
57.03444	10.6
57.07087	6.2
59.04995	1.8
65.03940	2.7
67.05508	57.2
68.43425	1.0
69.07072	38.0
70.91320	2.7
71.04999	5.3
71.08616	4.2
71.08964	1.1
79.05069	1.7
79.05497	22.0
81.07061	75.8
83.04974	3.9
83.08623	40.5
85.06527	5.0
91.05481	12.1
93.07050	36.5
95.04939	2.7
95.08615	43.4
97.06522	11.9
97.10175	8.2
99.04441	1.9
99.08069	2.3
101.06014	1.5
105.07065	9.6
107.08600	27.7
109.06490	2.7
109.10161	17.4
111.08086	11.5
115.07625	1.2
117.06999	2.3
119.08610	6.8
121.10150	14.8
122.81826	1.1
123.11751	7.4
125.05934	1.2
125.09634	3.6
127.07560	1.4
131.08589	3.1
133.10107	6.9
135.11696	6.2
137.13260	1.8
145.10135	2.6
147.11662	5.9
149.13266	39.9
151.11136	1.3
151.14943	1.3
156.68289	1.1
159.11697	5.0
161.13254	3.8
163.14809	2.8
167.14342	14.5
175.14885	2.2
177.12759	2.9
177.16373	1.6
187.14771	1.5
195.13795	2.1
201.53842	1.0
213.14851	4.2
217.71347	1.4
223.16920	4.7
231.15915	29.9
241.17975	4.9
245.22519	2.7
261.18451	1.3
263.23648	3.7
265.17914	5.8
268.30408	1.2
269.17490	40.5
283.19040	24.4
311.29504	7.8
337.27386	100.0
338.27744	2.7
357.22723	91.8
358.23148	3.0
542.38757	2.7
549.41724	5.7
619.45740	48.5
620.45691	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	654.2397
Annotation	Unknow
Peak:m/z	Relative Intensity
60.38905	0.4
60.53902	0.4
69.03440	0.5
70.64052	1.1
74.85151	0.4
81.07037	0.5
83.05027	0.6
91.05481	1.5
93.05770	0.8
95.05003	0.7
97.02906	0.4
100.11694	0.5
104.05032	0.5
105.07030	0.8
107.04907	0.6
108.04482	0.8
115.05454	0.5
117.05768	9.1
121.06527	1.0
124.03947	3.9
128.06238	0.5
130.06535	1.7
130.11565	0.5
131.04973	0.8
131.07312	3.1
132.04466	1.6
132.08102	34.8
136.07593	0.7
137.06024	0.8
145.05243	5.0
145.06407	1.0
149.05980	0.8
155.08592	0.6
160.07596	59.3
161.05974	0.9
161.08008	0.6
161.09618	0.6
173.09567	0.8
175.07669	0.7
177.09187	0.6
178.08647	66.4
187.07695	0.6
188.07108	1.7
189.09100	0.8
191.07054	0.8
201.09079	0.9
205.08743	0.7
206.08141	100.0
207.08481	1.6
224.09184	4.0
229.08577	0.7
234.11191	0.6
262.10730	5.3
276.09485	0.5
280.11859	2.4
293.10037	0.5
330.23529	0.5
406.18695	3.1
534.19592	0.5
558.19958	0.8
576.20947	4.5
594.21252	2.0
618.21851	5.6
636.22900	58.8
637.23578	2.7
654.24017	14.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	654.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20399	0.3
51.30404	0.3
55.01867	0.4
55.05507	0.4
56.89936	0.3
57.03422	0.5
62.39727	0.3
67.05503	0.5
69.03431	0.8
69.07062	0.5
69.68423	0.7
69.68829	1.6
70.06603	0.4
79.05481	1.1
81.03397	0.8
81.07051	0.8
83.04977	1.5
85.02895	1.3
91.05482	2.0
93.05793	0.6
93.07047	1.0
95.04962	1.1
97.02892	1.1
97.06529	1.0
98.20795	0.7
99.04440	0.5
103.05495	1.2
104.05003	0.4
105.07050	2.4
107.04929	0.5
107.08584	0.9
108.04480	1.1
109.06537	1.1
109.10138	0.7
111.04414	0.5
115.05466	1.1
115.72489	0.3
117.05775	9.2
117.07023	0.8
118.06527	0.6
119.04958	0.8
119.08585	0.8
120.08109	0.4
121.06518	1.3
122.06055	0.8
123.04425	0.5
124.03862	0.4
125.05991	1.5
127.03943	0.6
129.07002	0.7
130.06546	2.7
131.04976	3.1
131.07323	3.3
131.08495	0.6
132.04413	0.9
132.08110	33.5
133.06508	0.8
133.08472	0.4
135.04456	0.5
135.08067	0.5
136.03922	0.4
136.07603	0.8
137.04820	0.8
137.05994	1.7
137.09648	0.5
141.01839	0.5
143.07088	0.7
143.08571	0.5
145.05231	5.4
145.06502	1.4
145.10149	1.6
146.05977	0.4
147.04424	1.5
147.08073	0.7
148.07579	1.7
150.05475	0.8
151.07564	0.4
153.07065	0.4
155.08817	0.4
157.10161	0.4
158.06071	0.8
159.11775	0.5
160.07600	59.2
161.06009	2.0
161.07950	0.6
161.09660	0.5
163.07574	0.7
165.05489	0.6
165.09180	2.1
167.07037	0.5
173.05994	0.6
173.09625	1.1
175.07544	0.8
176.07089	1.5
177.05489	1.1
178.08655	66.0
179.07155	0.5
179.08937	0.8
187.07547	0.6
187.11275	1.1
188.07088	1.9
189.05511	1.3
189.09122	0.7
191.07010	1.0
197.09676	1.3
201.09195	0.6
203.07048	0.6
204.06592	5.9
205.08626	0.5
205.70686	0.5
206.08151	100.0
207.06688	0.5
207.08545	1.2
215.10661	1.1
217.08716	1.1
222.07532	0.5
224.09215	6.0
229.08755	0.5
233.11781	0.7
234.11391	0.8
235.09761	0.6
247.09627	0.7
251.12794	0.5
262.10782	7.2
280.11847	2.9
310.23645	0.6
441.20633	0.4
474.32175	1.9
477.47739	0.4
516.18835	0.4
558.19757	1.8
576.20837	4.2
589.62427	0.4
594.21667	1.4
618.21973	2.8
636.22913	54.6
637.23132	2.2
654.24152	10.5
655.24329	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2615
Annotation	Acetylpringleine
Peak:m/z	Relative Intensity
63.30088	0.6
69.31970	3.3
69.32397	2.1
98.20759	1.2
121.10097	0.7
137.06024	0.6
152.19026	0.7
172.03931	1.0
176.27234	0.7
197.10832	0.9
204.06598	1.4
205.66234	0.7
211.08875	0.9
223.08682	0.9
225.10269	1.2
227.11829	0.8
239.08200	0.7
298.16882	0.8
326.12827	0.9
338.13022	0.9
388.17200	0.9
391.15613	1.3
393.06342	0.8
393.17010	1.5
403.15613	1.2
404.16641	0.8
405.17343	1.7
407.18915	4.3
417.17422	2.8
418.18118	1.6
419.18866	2.6
421.16605	2.1
422.21182	1.0
431.15109	2.0
433.21078	3.9
434.17252	1.8
435.18179	6.3
436.19144	1.7
445.16226	3.6
446.17505	2.5
447.18301	2.2
449.16086	2.8
449.20889	1.4
450.20572	2.1
459.18219	2.7
460.19025	2.8
461.20184	5.7
462.16687	0.9
463.17444	5.9
464.18549	2.8
473.15701	1.1
474.16599	1.3
475.18073	0.7
476.18365	1.4
477.19785	4.3
478.20166	5.0
479.21060	0.9
488.18573	1.2
489.19217	2.8
491.17395	2.8
492.18057	2.5
501.19205	1.1
505.18646	0.9
505.22073	0.7
519.20441	2.0
521.22076	1.9
522.22815	0.8
532.21509	1.0
533.21069	0.9
537.24585	2.0
547.23486	12.8
547.31219	0.5
549.21252	3.1
550.22198	2.4
551.19171	0.9
564.23834	1.5
565.24506	3.4
575.22913	6.1
578.21667	3.1
579.22913	1.8
593.24078	17.5
607.25598	10.0
609.23956	1.1
621.23505	2.7
624.26062	1.0
625.26550	1.0
635.25098	38.1
636.25372	1.2
638.23608	4.5
653.26105	100.0
654.26654	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2612
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69846	0.6
52.71834	0.7
52.92037	0.6
60.61213	0.6
61.15966	0.7
67.05515	0.8
69.18292	2.3
69.18710	5.1
78.76818	0.6
91.05498	1.1
98.21476	1.5
106.03753	0.7
112.07133	0.7
121.06509	3.0
127.96556	0.7
138.09026	0.9
139.05070	2.6
172.03842	0.8
172.77826	0.7
192.75003	0.7
196.65651	0.9
204.06662	0.7
211.08690	0.7
213.10236	1.1
225.10239	1.5
239.11932	0.8
249.10587	0.9
318.93723	0.7
380.20761	0.8
393.17017	1.6
403.15735	1.0
405.17068	1.4
406.18262	1.0
407.18939	4.3
408.19513	1.1
417.17184	2.3
418.18146	1.0
419.18924	2.2
420.15048	1.0
421.16141	1.3
422.21033	0.8
431.19122	1.1
433.20325	2.9
435.18185	6.0
436.19104	1.5
445.16730	2.1
446.17328	2.3
447.18283	2.2
449.20309	1.6
450.20599	2.4
459.18277	2.1
460.18939	2.1
461.20074	3.3
463.17371	6.2
464.18341	2.7
475.17813	0.9
477.19815	1.7
478.19882	3.5
489.19226	2.1
491.17484	2.4
492.17993	2.1
505.20087	0.7
507.20743	1.5
519.19946	1.7
521.21686	1.6
537.25226	1.5
544.01398	0.9
547.23486	6.4
549.21570	2.6
550.22083	1.5
551.22424	1.3
564.23370	1.0
565.24292	2.1
575.23065	4.1
577.21552	0.9
578.21484	3.0
579.22235	1.1
593.23950	11.8
607.25275	2.8
609.23425	0.9
621.23523	2.0
624.24640	0.8
625.26538	1.4
635.25024	6.7
638.23236	4.9
653.26068	100.0
654.26422	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	652.2396
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01599	0.8
51.02384	1.7
53.03951	6.0
55.01878	0.4
62.48560	0.1
68.02686	0.1
69.73834	0.3
69.74246	0.4
77.03928	1.8
78.03464	1.5
79.05510	0.2
80.05019	0.6
80.80521	0.1
81.03432	1.0
83.04982	0.8
91.05453	0.3
91.21463	0.1
93.07058	0.2
95.04978	8.0
95.08594	0.2
96.04507	0.7
105.03402	100.0
105.04536	4.3
106.02922	3.4
106.03725	0.8
118.06577	0.3
119.08585	0.3
121.06535	0.1
124.03965	17.0
129.06967	0.1
131.08583	0.5
133.10066	0.2
136.50078	0.1
143.08574	0.2
145.06514	0.2
145.10170	0.2
147.08022	0.2
147.11742	0.2
156.09331	0.2
159.08104	1.2
159.09375	0.2
161.06081	0.2
163.07498	0.2
166.05034	0.7
171.11664	0.4
173.13347	0.1
175.07555	0.3
177.09125	0.5
187.07558	0.8
189.12816	0.4
199.11215	1.0
205.08614	0.8
209.09706	0.1
215.10754	0.3
217.12251	1.4
218.59306	0.1
227.10672	1.0
228.06557	0.2
245.11786	2.0
247.09709	0.2
259.13074	0.1
263.12860	0.8
265.10620	0.2
278.08096	0.2
287.12817	0.2
305.13788	0.3
319.68472	0.1
327.12299	0.2
349.14740	0.2
365.15741	0.6
368.15161	0.2
387.14438	0.3
427.17868	0.2
428.17056	0.5
488.19290	0.3
550.20593	0.3
610.22723	2.1
626.13367	0.2
652.24048	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	652.4782
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.8
55.01865	6.7
55.05518	29.0
57.03444	12.8
57.07061	5.8
59.05000	7.1
65.03937	4.1
67.05511	70.4
69.07075	38.0
71.05013	8.7
71.08633	2.8
71.51461	2.3
71.51842	2.2
75.71227	1.8
79.05495	45.0
81.07061	86.8
83.04974	5.3
83.08626	37.0
83.09119	1.9
85.06545	4.8
91.05488	21.5
93.07054	64.7
95.04968	3.2
95.08614	48.4
97.06544	21.1
97.10169	8.0
99.04478	2.4
99.08105	2.8
101.06030	1.7
102.94897	1.8
105.07052	13.5
107.08601	40.3
109.06531	2.9
109.10159	22.3
111.08092	11.1
117.07027	5.5
119.08567	7.2
121.10148	30.8
123.08008	2.6
123.11715	4.3
125.09635	3.9
125.13226	2.0
131.08586	6.6
133.10146	12.2
135.08025	1.7
135.11696	12.9
145.09062	2.5
145.10034	8.4
147.11699	10.6
149.09657	2.2
149.13272	48.9
159.11723	7.9
160.95715	1.7
163.14833	3.4
165.12785	1.9
167.14325	17.6
173.13246	3.6
177.12637	2.3
182.41408	1.8
187.14861	3.6
195.13898	3.8
201.19194	1.7
213.14923	8.0
223.16919	8.0
231.15936	33.2
237.18539	2.6
241.17949	6.8
243.21165	3.4
259.62372	1.6
261.22119	14.5
265.18069	7.3
269.17490	30.7
283.19049	25.3
317.24658	2.2
335.25809	100.0
357.22729	97.7
377.85019	1.7
428.30206	2.1
479.24399	5.3
507.27664	2.7
537.25757	2.0
538.09406	1.8
540.37286	4.4
547.39911	4.6
551.26715	4.0
565.28003	3.5
566.28839	9.2
617.44202	39.3
652.28955	7.9
653.29657	12.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.1413
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99670	0.8
56.96569	2.5
57.03444	4.2
57.05311	0.8
69.03417	2.9
71.50277	1.6
71.50656	0.9
72.26929	0.7
81.03407	1.1
82.99856	2.0
84.96087	1.0
85.02897	4.4
85.36243	1.0
86.99326	1.2
94.99905	1.5
97.02888	2.2
98.97597	4.4
101.00882	15.3
102.05528	0.8
109.02903	1.1
110.97591	2.7
113.00875	11.3
115.02415	3.3
116.98663	1.6
119.01936	23.9
122.01371	1.5
127.02415	6.5
127.03931	2.4
128.98636	1.8
129.00323	1.3
129.03918	1.2
131.00339	1.0
131.01920	23.8
133.03477	1.7
137.00859	0.9
137.02959	1.5
139.02406	2.5
143.00218	1.3
143.01912	33.7
145.03470	17.8
145.04791	1.6
147.01302	4.1
147.04417	1.9
151.02391	2.6
153.56870	0.9
155.01903	22.8
157.03476	9.4
158.99883	1.8
159.01416	16.5
161.02983	23.4
163.04518	1.4
167.01886	14.5
169.03473	13.2
171.01396	5.7
171.05016	4.0
173.02969	22.2
174.99142	1.5
175.04532	2.0
177.00909	1.1
177.02454	2.4
179.01926	9.5
181.03477	2.0
183.01352	1.6
185.02965	50.1
187.00899	2.8
187.04543	3.9
189.00786	1.2
189.02496	1.1
191.02124	0.9
195.01382	1.4
197.02979	32.5
197.04807	1.6
199.00917	2.1
199.04466	2.6
201.00745	1.9
201.02477	2.2
203.04033	10.9
207.01537	1.4
209.02965	3.2
211.00858	2.0
213.02499	2.3
215.00504	1.2
215.04045	12.3
219.01768	1.8
221.03175	2.0
225.02557	4.9
227.04027	9.9
229.02039	2.5
231.03491	1.4
232.52556	0.9
237.02678	2.7
239.04274	2.5
241.01973	2.3
242.99863	1.2
243.03700	2.4
245.05093	100.0
246.05394	2.6
253.02020	1.5
257.05063	6.9
259.03290	1.0
263.06122	11.4
265.07895	0.9
271.02902	4.4
275.06149	17.3
281.01074	1.2
285.04446	0.9
293.07117	3.7
299.02487	6.2
305.07257	13.5
311.02628	1.6
313.04089	1.2
317.03760	4.3
317.06946	1.0
329.03595	16.8
331.04819	1.2
335.08328	4.0
339.09683	1.2
347.04431	8.3
359.03867	1.1
365.09518	8.5
367.10849	1.1
368.56708	1.0
369.10715	1.0
371.04608	45.0
372.04987	1.2
383.04578	13.4
383.09027	1.1
389.05823	2.1
401.05508	5.1
419.05597	1.0
431.06812	15.5
446.74246	0.9
473.07733	7.9
491.08865	14.6
653.13641	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	652.2243
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02361	0.3
57.03442	0.5
66.56698	0.2
69.03452	0.4
71.12627	0.4
73.21998	0.2
78.03466	0.4
79.05489	0.7
79.59525	0.3
80.05024	0.2
81.07085	0.3
83.04965	0.7
85.02911	0.5
87.42622	0.2
91.05485	1.2
92.05003	1.1
93.07056	0.4
95.04989	0.7
97.02898	0.4
101.95824	0.2
103.05441	0.6
105.07013	1.0
106.06538	0.8
107.04951	0.5
108.87876	0.2
109.06525	0.6
110.06053	0.3
111.04449	0.5
117.05753	0.7
117.07003	0.4
118.06523	2.4
119.07347	1.2
119.08575	0.3
120.04491	3.0
120.08109	2.6
121.06512	0.8
122.02377	0.3
122.22574	0.2
124.03930	0.6
125.05984	0.3
129.06934	0.3
130.06538	20.7
131.04906	0.8
131.08566	0.3
132.04398	0.4
132.08058	0.6
133.05238	1.7
133.06438	0.4
134.02396	4.8
134.05981	0.4
135.02916	0.2
138.05702	0.3
140.03401	0.4
144.05638	0.3
145.06508	0.6
145.10123	0.3
146.06027	4.9
147.08034	0.4
148.07585	29.9
148.13335	0.3
149.05998	0.4
151.07475	0.3
152.03479	0.3
158.06119	1.2
158.07175	0.3
159.08002	0.4
160.07639	0.3
161.05989	0.9
161.09569	0.4
162.05455	0.3
163.07552	0.3
167.07101	0.4
173.06033	0.4
173.09651	0.3
174.05428	0.3
176.07088	23.4
177.05528	0.4
179.07004	0.3
187.07439	0.3
189.05403	0.4
189.09132	0.3
194.08171	5.9
201.09117	0.6
204.06577	100.0
205.06920	1.2
206.08330	0.3
219.06471	0.4
222.07640	5.8
229.08592	0.7
245.08058	0.3
247.09750	0.4
257.08112	0.4
275.09183	0.6
293.10495	0.3
407.42496	0.3
491.97021	0.3
496.16397	0.3
516.31378	0.3
556.17896	0.7
574.19116	0.7
592.20221	0.8
616.20349	0.5
634.21216	2.4
637.83582	0.3
652.22375	1.3
669.07959	0.3
680.22595	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	652.224
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	0.3
53.03947	0.5
53.13569	0.2
55.01862	0.4
57.03440	0.7
59.04995	0.9
63.02360	0.3
67.05517	0.5
69.03440	0.8
69.77927	0.2
70.06597	0.4
71.01353	1.4
71.04997	0.4
71.51125	0.4
77.03924	0.4
79.05510	0.3
81.03395	0.3
81.07062	0.5
83.04976	0.5
85.02915	2.7
91.05493	1.1
92.05013	0.7
93.07040	0.4
95.04977	0.7
95.08613	0.4
97.02904	2.6
99.04476	0.7
103.05473	18.2
104.05836	0.4
105.04502	0.3
105.07050	0.4
106.06572	0.8
107.04964	0.5
107.08588	0.3
109.02850	0.3
109.06562	0.3
111.04454	0.7
113.02394	1.4
115.05437	0.3
117.05759	0.5
117.07067	0.3
118.06551	1.9
119.07402	0.3
120.04475	1.3
120.08110	2.8
120.31696	0.3
121.06486	0.4
123.00869	0.3
123.04498	0.3
124.03976	0.9
129.07019	0.4
130.06535	19.8
131.04936	76.6
132.05284	1.1
133.05220	2.2
134.02388	4.9
134.06012	1.1
137.06001	0.5
141.01849	1.4
141.07045	0.4
142.50987	0.3
145.04977	3.8
145.06523	0.5
145.10078	0.3
146.06030	4.7
147.04398	0.5
148.07582	30.0
149.05997	2.4
149.07945	0.4
152.03410	0.4
158.06015	1.8
159.08047	0.3
161.05945	0.6
167.07065	0.4
169.06531	0.3
173.06088	0.4
174.05394	0.2
174.44228	0.2
175.07397	0.3
176.07080	24.8
177.05614	0.3
177.07523	0.3
185.05974	0.3
189.05559	0.3
194.08138	6.9
197.06062	0.6
199.07443	0.3
201.09152	0.4
203.06999	0.3
204.06572	100.0
205.06830	1.3
215.06886	0.4
222.07613	3.7
225.05386	0.4
227.06915	0.3
229.08653	0.4
243.06526	0.6
250.10847	0.4
257.08121	0.3
261.07489	0.5
263.09082	0.4
271.04501	0.4
285.88516	0.3
289.07089	3.6
297.11099	0.5
304.39566	0.3
307.08145	3.1
401.08627	0.5
419.09799	0.7
433.11063	0.3
437.12592	1.2
455.13248	1.7
495.15778	0.4
549.13574	1.0
567.14691	0.7
574.18958	0.6
624.22363	0.9
634.21136	1.3
652.22546	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	652.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00304	4.5
53.03939	2.3
54.76397	1.8
55.01877	8.6
57.03439	29.2
59.04995	7.4
63.22409	1.6
63.73346	1.5
67.05508	2.5
69.03436	28.4
70.12032	8.0
71.01364	25.7
71.04996	7.4
73.02921	9.9
75.04485	3.1
81.03417	6.4
83.01354	5.4
85.02912	86.5
87.00836	6.9
87.04470	11.8
89.02398	10.6
91.05492	51.3
95.01353	8.7
97.02900	72.9
97.03526	3.2
99.00815	29.1
99.04462	8.4
101.02393	4.0
103.03953	5.7
103.05473	28.5
105.03416	5.8
109.02895	4.4
111.04460	5.0
113.02378	60.9
115.03934	4.1
117.01856	3.0
123.00812	2.4
123.04413	2.0
125.02386	5.1
127.03888	10.4
129.01862	4.8
129.07019	4.1
131.03447	19.4
131.04922	31.8
139.03918	3.8
141.01849	39.2
145.04973	26.9
153.01872	2.5
153.07013	2.7
155.03358	4.3
157.06491	2.2
159.02893	21.7
165.07013	11.0
166.07788	29.0
167.55678	1.6
171.02954	2.3
177.03957	21.1
179.03467	1.9
179.08612	6.8
181.10138	90.3
187.02393	2.5
190.07796	4.7
191.08589	5.4
197.04477	4.3
202.07776	2.8
203.08528	8.8
204.09363	6.5
205.10150	57.5
207.23955	1.7
211.02466	3.7
213.04010	4.6
215.08585	82.4
218.07239	7.4
225.03943	7.2
229.03554	4.9
233.09637	100.0
234.10051	1.8
241.03212	2.2
243.05127	5.1
243.08107	15.8
253.03438	5.1
257.02957	21.4
261.09140	74.7
271.04529	63.0
275.04050	7.4
278.31058	2.1
279.10190	45.6
289.05618	7.2
297.11215	10.3
303.07089	6.3
341.05042	4.2
345.85516	1.8
369.04578	28.5
387.05606	7.1
391.11713	4.1
409.12701	2.7
419.11258	7.9
437.12531	22.4
440.57645	2.0
451.13730	2.0
455.13263	7.9
515.00104	1.8
521.14514	6.0
531.12598	2.3
549.14166	19.2
566.16101	2.1
567.15289	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	652.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.9
57.03427	2.0
59.04984	3.2
67.05513	1.5
69.03425	4.8
71.01345	2.2
71.04977	2.0
71.52103	2.0
73.46125	1.1
79.05498	3.6
81.03398	1.5
81.07079	1.4
83.04993	2.8
84.04491	1.3
85.02902	5.4
91.05495	2.0
93.07034	1.6
95.04959	4.6
95.08595	1.4
97.02895	4.2
100.91611	1.0
103.05472	29.3
104.05810	2.0
105.07015	2.8
106.06555	8.3
107.04951	1.4
109.02905	1.7
109.06562	1.7
109.10191	1.4
111.04440	1.5
113.02380	3.4
117.05771	1.8
119.08572	1.4
120.04482	1.9
120.08104	1.3
121.06522	1.8
123.46648	1.0
124.97469	1.2
125.05904	1.3
129.05508	1.5
129.90802	1.1
130.06578	10.9
131.04941	100.0
131.08623	1.5
132.04404	1.3
132.05276	4.6
132.08127	6.5
133.05231	13.2
134.02379	2.1
134.06033	34.7
135.07971	1.8
137.05988	2.0
145.04968	11.0
145.06128	1.3
145.06519	1.4
145.10165	1.2
147.04408	1.9
147.07997	1.4
148.07576	23.2
149.05954	6.7
149.09724	1.2
153.05403	1.6
158.06030	28.5
159.04434	2.3
159.08078	1.9
160.07588	1.1
161.05951	2.6
161.09561	1.7
167.03397	1.7
167.07043	3.6
168.07480	1.5
171.08119	1.4
176.07092	76.5
177.05452	2.1
177.07471	1.2
186.05516	4.2
189.05460	1.9
194.08147	86.4
201.09158	2.0
204.06598	29.5
222.07675	11.5
225.05470	1.3
229.08771	1.8
240.08618	2.5
250.10748	14.0
260.09128	1.5
289.07135	1.9
293.10031	1.2
305.29453	1.1
317.06619	2.7
318.06882	3.5
331.15768	1.1
436.13840	1.7
455.13425	2.9
504.18732	1.4
525.65088	1.2
546.19281	2.1
549.14331	1.8
556.18176	1.5
564.20844	6.6
574.19244	3.1
592.19849	4.6
606.21753	10.9
624.22931	56.0
625.23071	1.6
634.21179	5.9
652.12677	1.9
652.22412	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	652.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00299	4.7
54.59370	1.6
55.01880	9.7
57.03440	37.8
59.05010	10.4
67.05511	2.4
69.03098	1.6
69.03435	28.2
69.57389	1.5
70.90010	4.0
71.01358	21.9
71.04977	4.8
73.02913	9.8
75.04450	2.8
75.31056	1.5
75.97683	1.5
81.03413	6.1
83.01342	4.6
83.04953	2.7
85.02910	84.3
87.00818	5.3
87.04471	8.2
89.02402	9.9
91.05487	53.7
95.01331	9.6
95.04967	3.4
97.02895	75.3
99.00820	34.8
99.04450	6.3
101.02383	4.3
103.03945	6.3
103.05479	24.0
105.03402	2.1
109.02905	2.2
111.04424	3.7
113.02376	68.1
115.03888	2.9
117.01840	3.1
123.00774	4.1
125.02362	6.5
127.03944	8.3
129.01849	4.6
129.05467	2.6
129.07016	4.6
130.49583	1.6
131.03419	15.3
131.04929	10.1
139.02263	1.6
139.03899	2.7
141.01843	35.6
141.06961	2.5
144.40839	1.6
145.04973	31.2
153.07050	3.2
155.03360	2.9
159.02902	20.1
163.47827	1.7
165.07005	8.2
166.07767	27.7
167.03459	2.4
171.02948	2.7
177.03947	11.5
179.08578	8.7
181.10138	81.9
187.02434	2.3
190.07796	6.4
191.08534	8.3
202.07803	2.1
203.08635	9.9
204.09373	7.4
205.10141	62.7
209.04498	2.1
211.02583	2.1
213.03906	3.2
215.08580	89.2
218.07281	5.3
225.04024	8.7
229.03506	8.7
233.09631	100.0
234.09973	2.5
243.05086	5.3
243.08078	18.8
253.03427	5.5
257.02957	24.0
261.09116	69.0
262.09399	1.9
271.04504	56.2
275.03976	8.8
279.10153	39.3
289.05554	5.7
293.11765	5.1
297.11203	6.2
303.07095	6.2
341.04880	4.3
369.04514	30.7
375.13394	1.9
387.05588	8.8
391.11819	5.1
401.07239	3.2
409.12732	5.3
419.11319	8.7
437.12286	18.1
455.13681	7.7
521.14154	2.9
531.12738	3.0
549.13983	25.9
567.14972	14.5
581.16388	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	652.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44148	2.5
53.00307	4.5
55.01869	12.1
57.03440	29.0
57.34288	2.5
59.05007	40.6
59.97421	2.0
62.79022	2.1
66.79638	2.3
69.03431	22.2
69.37653	19.7
71.01373	12.6
71.04991	10.3
73.02915	13.1
78.65574	2.7
78.79784	2.2
81.03419	5.5
83.01353	6.4
85.02914	100.0
85.14021	2.6
87.00835	6.7
87.04494	6.4
89.02397	9.1
91.05482	44.6
95.01347	8.5
95.04934	3.2
97.02893	64.0
99.00826	29.6
99.04472	9.1
101.02402	5.7
103.03957	5.3
103.05452	17.8
109.02890	5.2
111.00813	2.2
111.04499	3.3
113.02370	79.9
115.03893	5.2
123.00832	4.2
125.02358	5.9
127.03926	11.6
129.01845	5.8
129.05533	3.2
129.07021	5.2
131.03433	14.2
131.04907	3.9
133.69148	3.0
139.03923	5.0
141.01822	33.6
143.03430	3.8
145.04973	100.0
153.01781	2.3
155.05052	3.0
158.83849	2.4
159.02896	13.1
165.06982	8.5
166.07779	26.2
167.03439	2.7
177.03961	9.7
179.08565	4.0
181.10141	67.2
187.02437	6.9
190.07845	4.5
191.08562	6.9
203.08595	9.1
204.09294	6.9
205.10143	50.8
211.02399	3.4
215.08569	67.8
217.10118	4.5
218.07341	5.0
219.08060	2.4
225.03954	8.7
229.03394	5.6
229.10025	2.6
233.09628	81.5
243.05052	7.1
243.08145	14.4
253.03511	6.6
257.03009	10.5
257.09601	2.9
261.09125	53.8
271.04495	65.8
275.04105	5.2
278.29037	2.7
279.10162	31.0
289.05576	10.0
293.11838	6.2
296.60767	2.5
297.11267	4.4
299.10757	2.8
303.07153	5.8
327.10364	3.9
369.04517	25.4
373.10852	6.1
387.05624	6.8
391.11838	4.5
409.12857	3.4
419.11340	5.1
437.12390	9.7
455.13217	4.0
521.14435	5.3
549.14081	20.1
567.15210	11.5
581.16504	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.4108
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07816	1.9
53.03953	7.6
55.01866	5.9
55.05519	29.9
57.03451	11.6
57.07080	3.5
59.05004	3.8
65.03954	6.3
67.05511	100.0
69.03436	33.6
69.07079	15.1
69.65931	12.4
71.05003	7.8
71.08643	2.7
73.02934	2.5
79.05503	37.8
81.03430	55.2
81.07065	56.4
83.04992	27.5
83.08631	14.5
85.02910	5.9
85.06550	3.1
91.05489	30.8
93.07051	35.1
95.04974	9.0
95.08617	41.0
97.02902	18.7
97.06544	3.0
97.10195	17.0
98.20898	5.0
98.21492	4.0
99.04464	5.9
105.07037	24.9
107.04978	3.9
107.08606	25.5
108.90880	2.1
109.02903	8.5
109.06522	3.8
109.09476	4.2
109.10167	56.4
111.04466	6.5
111.08108	4.6
115.05503	3.2
117.07024	13.9
119.08574	22.8
121.06558	3.0
121.10166	19.9
123.11736	7.1
125.09626	13.9
127.03941	7.2
129.05521	11.3
129.07008	6.8
131.04988	2.3
131.08577	17.0
133.06497	2.6
133.10147	13.0
135.08107	3.9
135.11725	13.2
137.09621	6.1
139.11177	4.2
143.08580	8.1
145.06490	2.5
145.10144	15.0
147.08125	2.3
147.11714	8.6
149.09590	2.5
149.13277	6.7
151.11172	2.2
155.08627	4.8
155.10736	5.4
157.10121	8.1
159.11652	10.6
161.13283	4.5
163.57109	2.2
169.10138	3.0
171.08064	3.0
171.10304	2.4
171.11694	7.9
173.09616	2.5
173.11755	18.3
173.13290	5.3
174.37489	2.5
175.11235	5.6
175.14867	2.9
183.11720	4.1
185.09642	3.1
185.13315	4.1
187.14786	3.4
189.11243	13.2
197.13390	3.7
203.14383	2.7
227.12782	15.4
229.14352	27.8
245.13747	2.2
259.20874	2.9
261.22183	8.8
263.23706	5.0
277.21472	3.3
298.70419	2.3
299.15060	4.3
301.21664	5.7
303.23254	2.8
315.23260	3.7
317.25095	2.4
327.23358	2.1
335.25781	8.0
337.27438	13.3
341.24539	3.2
345.24066	3.4
351.23126	6.6
369.24225	14.1
371.16977	3.2
371.25909	2.2
373.18369	4.5
387.25232	5.0
392.68695	2.3
405.26334	5.7
423.27386	3.5
443.28052	4.2
461.29166	4.7
479.30032	3.9
489.35696	4.3
507.36990	5.3
569.00122	2.1
597.38013	4.0
615.38867	4.3
633.39923	21.9
651.40881	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	650.4394
Annotation	Unknow
Peak:m/z	Relative Intensity
55.41024	0.3
56.05022	0.6
57.07056	0.3
58.06602	0.5
60.08169	6.8
67.05504	0.8
71.07379	3.1
71.51710	0.4
77.06517	0.3
79.11459	0.2
81.07066	0.3
86.09713	29.8
95.08617	0.5
98.98468	3.6
99.22275	0.3
104.10745	2.4
109.10139	0.3
125.00014	21.7
125.25114	0.3
172.79823	0.3
184.07355	100.0
185.07716	0.4
272.70407	0.2
360.92743	0.3
432.39648	0.2
602.31653	0.3
650.43921	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	651.2809
Annotation	Petasiphyll A
Peak:m/z	Relative Intensity
54.55367	1.4
57.07074	2.9
59.05002	1.4
59.10074	1.7
67.05505	5.9
73.69765	1.5
79.05504	1.9
81.03398	2.0
81.07051	3.3
91.05487	3.0
93.07062	2.3
95.08614	7.1
98.21543	3.7
105.07033	2.1
107.08582	2.3
127.87244	1.5
188.76323	1.6
215.12817	2.8
229.21828	1.8
268.27524	1.6
313.27390	2.5
387.15948	2.1
391.18954	2.5
399.16000	2.6
400.16760	2.1
401.17618	3.6
405.21280	2.0
407.22351	3.8
413.17538	3.0
414.18457	6.2
415.19324	9.5
416.20328	2.6
428.19928	4.7
429.20758	6.5
430.21655	2.2
431.18384	2.4
432.22211	1.7
435.21603	2.3
440.15192	1.6
443.18143	4.4
443.23145	3.0
444.19421	6.2
445.20081	3.8
447.18301	3.4
454.36096	1.8
455.18872	1.9
457.20139	6.7
458.20938	6.0
459.17984	2.4
461.19684	2.2
471.22250	7.7
472.22562	5.8
473.19333	4.1
474.20618	2.6
485.19281	3.1
486.20258	8.1
487.21295	1.9
490.19791	3.7
499.21173	10.4
500.21927	3.3
503.24524	2.7
514.20294	1.8
516.22015	2.4
517.22400	9.4
527.20984	3.7
531.23956	14.2
549.24805	8.2
559.23456	100.0
560.23462	3.5
587.23138	19.5
588.23145	2.3
619.25568	99.2
620.25641	3.6
651.17749	2.3
651.28113	17.3
651.44861	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.4109
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	6.8
55.01872	5.1
55.05512	23.9
57.03448	11.1
57.07089	3.2
59.04992	2.7
62.19266	2.6
65.03953	4.3
67.05511	100.0
69.03442	26.1
69.07077	13.9
69.30945	16.7
71.04998	5.1
73.02919	2.1
79.05496	30.3
81.03426	34.3
81.07065	53.5
81.07529	3.0
83.04992	16.6
83.08633	12.7
85.02919	5.0
85.06551	5.4
91.05485	28.1
93.07055	32.7
95.04970	8.4
95.08614	29.4
97.02925	13.0
97.06577	4.8
97.10175	11.5
98.20674	4.1
98.21296	8.5
99.04457	2.9
99.08121	2.2
105.07032	24.1
107.04964	4.4
107.08598	21.1
109.02896	7.4
109.06539	6.0
109.10168	62.7
111.04464	6.6
111.08099	5.4
113.87177	2.0
115.05466	2.2
117.07047	15.3
119.08604	19.6
121.06525	2.5
121.10166	14.3
123.08064	2.9
123.11720	6.0
125.09647	9.4
127.03918	6.8
128.06238	2.9
129.05508	7.1
129.07036	7.7
131.07747	2.2
131.08580	14.0
133.06526	4.0
133.10144	16.1
135.08054	5.6
135.11711	8.5
137.06018	2.2
137.09683	7.6
137.13261	3.1
143.08574	7.7
145.06561	3.5
145.10141	16.1
147.04448	2.6
147.08034	4.3
147.11713	7.3
149.09654	3.0
149.13297	5.3
155.08563	3.2
155.10695	5.3
157.10176	7.8
159.11726	10.7
161.13274	5.0
163.14774	2.6
169.10199	3.9
171.08025	2.6
171.10345	3.2
171.11749	7.3
173.11765	19.1
173.13313	6.6
175.11211	3.1
181.10199	3.1
183.11685	3.3
184.07375	3.7
185.09569	3.0
185.13289	4.4
187.14813	4.4
189.11217	5.3
191.10583	2.2
197.13336	3.0
199.14876	2.4
213.12772	2.3
227.12718	10.8
229.14355	36.5
241.19403	2.3
245.13945	3.5
259.20615	3.1
277.21484	2.2
291.23178	3.2
299.14926	2.4
301.21597	5.5
319.22690	2.3
327.23221	2.5
335.25854	2.9
337.27563	6.0
345.24173	3.9
351.23303	4.1
369.24304	10.3
371.16882	4.5
373.18466	3.5
387.25555	6.4
393.26138	2.2
405.26407	2.8
443.27371	3.5
461.28833	5.3
479.30307	3.4
489.35751	4.7
507.37143	2.4
541.16962	2.3
597.37988	5.4
615.38928	8.4
633.39960	17.3
651.40875	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	650.2663
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27614	0.8
53.03946	4.4
55.01880	6.4
55.05501	2.0
57.03440	3.9
57.35301	0.9
59.05003	2.3
61.02930	2.8
67.05503	2.3
69.03440	15.0
69.41500	7.5
71.04995	1.8
73.02927	3.2
79.05504	3.7
81.03427	12.4
81.07070	5.3
83.04977	5.8
85.02917	30.5
85.06567	1.9
87.00835	13.0
91.05492	9.0
93.07073	5.1
95.04984	3.1
95.08614	3.4
97.02900	14.7
97.06557	1.8
99.00797	1.4
99.04472	5.8
102.02089	0.9
103.05459	1.7
105.01862	7.5
105.07021	12.2
107.04974	1.2
107.08614	3.1
109.02888	9.8
109.06529	3.4
109.10116	1.0
113.02351	1.5
115.05495	2.3
117.01863	2.5
117.07034	2.7
119.04978	3.4
119.08574	5.3
121.06512	3.9
121.10151	2.5
123.04436	4.0
123.08080	2.0
127.03931	15.2
128.06242	5.4
129.01828	2.3
129.07016	3.4
131.04950	4.1
131.08578	15.8
133.06540	5.3
133.10112	6.8
135.08073	7.6
136.83932	1.3
137.05972	1.6
137.09579	1.8
141.01773	1.3
141.07025	2.0
142.07776	1.9
143.08580	17.4
145.04997	7.5
145.06485	10.5
145.10153	4.1
146.07271	1.0
147.04459	1.8
147.08066	3.4
147.11687	2.1
149.05997	3.9
149.09634	5.6
151.03957	0.9
151.07610	1.5
153.05513	1.7
153.06935	1.6
153.09073	1.2
155.08546	5.7
157.10124	3.0
158.10910	1.3
159.02888	5.2
159.08058	13.6
159.11746	3.4
161.06018	2.4
161.09633	36.9
161.13214	1.2
163.07579	5.1
163.11240	1.3
165.09216	1.6
168.09344	5.0
169.06410	1.1
171.08063	14.1
171.11707	3.3
173.06160	1.1
173.09598	2.6
173.13268	7.1
175.07622	1.6
175.11211	2.9
177.09122	8.3
179.10672	1.8
181.06497	1.6
182.07312	1.3
183.11678	10.8
185.13303	1.2
187.07495	3.1
187.11148	1.9
189.09123	72.8
189.12756	2.7
190.09456	2.3
191.14331	1.7
193.10191	3.8
196.08740	2.3
199.11183	10.4
201.09135	2.8
201.12790	14.0
205.08534	1.3
205.10312	1.1
207.08273	1.7
207.10185	24.6
207.13799	1.2
209.08047	1.6
211.11215	19.6
217.12253	6.8
219.13780	5.7
229.12274	25.8
231.05081	1.8
233.09700	1.1
235.13319	2.2
241.12296	9.9
247.13313	14.0
249.11203	2.3
265.14368	2.5
271.13333	2.9
277.08493	1.2
277.14362	1.9
285.13483	1.0
289.14471	7.4
307.15448	5.5
325.12842	1.3
325.16409	8.1
349.16693	1.4
367.17542	100.0
368.17813	1.5
385.18597	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	647.4497
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	1.7
57.07066	3.7
59.04995	1.6
67.05492	2.5
69.07085	1.4
71.08639	1.7
71.53265	1.6
79.05499	1.2
81.07060	3.2
85.10178	1.3
95.08625	3.4
119.23916	1.2
124.62822	1.3
247.41019	1.3
313.27438	1.4
335.18256	16.0
346.64948	1.1
391.21066	6.0
486.86301	1.2
588.39233	1.1
622.24713	1.2
625.07977	1.3
646.31952	1.6
647.44989	100.0
648.45520	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	649.3027
Annotation	Gnidilatidin
Peak:m/z	Relative Intensity
53.90350	0.3
65.01267	0.3
67.05508	0.5
69.16688	2.4
69.17090	0.5
69.52198	0.3
77.55713	0.3
81.07081	0.4
86.36607	0.3
93.07052	0.4
95.08645	0.3
98.20707	0.7
121.10213	0.4
123.11742	0.3
128.86093	0.3
137.06018	0.9
243.71252	0.3
364.58432	0.3
389.18161	0.5
396.57870	0.3
402.18747	0.9
403.18896	1.9
404.20114	0.6
405.20862	1.2
415.19788	0.5
416.20023	1.0
417.21143	2.9
418.21490	0.7
419.22418	0.8
429.16595	0.6
430.17169	1.4
431.17920	3.6
432.19479	1.0
433.24313	2.3
443.18896	0.5
444.18967	1.5
445.20090	6.4
446.20767	1.7
447.21927	1.6
455.22458	0.3
457.20978	0.7
458.17148	0.4
459.22275	6.1
460.22720	4.4
461.23547	4.3
473.19339	6.3
474.20819	1.0
475.26062	1.5
477.22946	0.3
485.19794	0.3
487.20685	3.0
488.22211	0.6
489.22763	1.1
491.25388	0.3
492.25354	0.4
501.22922	0.9
502.23584	2.8
503.24554	5.0
504.24631	0.4
505.24097	0.3
515.24402	1.1
517.22540	0.5
519.24219	1.3
529.25665	0.5
531.24036	1.1
533.21484	0.8
545.21942	0.5
546.26581	1.0
547.27252	9.7
557.25623	0.5
559.23297	0.7
560.23572	0.4
561.24615	3.6
575.26538	0.7
577.24591	0.5
589.28119	18.3
590.28430	0.6
607.29272	2.1
617.28400	0.5
620.25928	0.7
649.30243	100.0
650.30450	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	650.266
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	1.6
55.01871	2.8
55.05505	1.5
57.03451	1.5
59.05011	2.1
61.02918	0.9
67.05503	2.2
68.99780	0.8
69.03432	5.2
69.07070	0.9
71.04974	0.9
71.18204	0.7
71.18558	0.3
73.02905	1.5
79.05494	1.8
81.02940	0.4
81.03421	6.3
81.07053	2.9
83.01350	0.4
83.04986	14.8
85.02909	11.4
85.06541	1.0
87.00837	5.0
87.04450	0.4
91.03941	0.4
91.05483	7.9
93.07051	3.5
95.04975	2.8
95.08601	2.0
97.02901	4.7
97.06526	1.4
99.04462	2.0
101.06009	1.0
103.05473	1.2
105.01866	2.1
105.07037	13.4
107.04966	1.6
107.08595	3.5
109.02879	4.4
109.06497	1.4
109.10177	0.9
111.04452	0.7
111.08073	0.4
113.02360	0.5
113.06013	0.5
113.96952	0.3
115.05423	1.0
117.01837	0.6
117.07019	2.5
119.04950	1.7
119.08591	5.9
121.06516	2.4
121.10159	0.9
123.04441	1.1
123.08058	1.7
124.38457	0.3
125.06026	0.4
127.03919	5.8
128.06229	3.3
129.01811	0.3
129.07013	2.5
130.07703	0.3
131.04948	3.3
131.08571	11.6
133.06508	1.9
133.10129	10.6
135.08018	1.8
137.05981	0.7
137.09619	1.5
139.07568	0.3
141.05434	0.7
141.07011	1.4
142.07817	1.6
143.08566	11.2
144.05643	0.6
144.09323	0.8
145.04988	2.3
145.06488	2.9
145.09081	0.4
145.10143	5.8
146.07260	1.2
147.04385	0.8
147.08063	6.8
147.11664	1.7
149.06003	1.3
149.07307	0.3
149.09631	1.5
151.03889	0.4
151.07581	1.1
153.05528	0.7
153.06998	0.9
153.09097	0.6
155.08553	2.9
156.09305	0.6
157.06528	0.9
157.10120	1.9
158.07301	0.9
158.10905	1.4
159.02922	2.2
159.08066	11.4
159.11682	3.0
160.08777	0.4
161.05998	1.3
161.09624	53.3
162.09949	0.6
163.07530	1.8
165.05438	0.5
165.09146	2.1
165.12741	0.4
168.09351	2.6
169.10132	0.4
171.08054	5.6
171.11694	1.5
172.08841	1.2
173.09657	2.4
173.13284	7.0
174.06697	0.3
175.07591	0.7
175.11166	0.9
175.14766	0.5
177.09097	10.3
177.12701	0.7
179.10670	1.3
182.07242	0.5
183.11713	6.6
185.09581	0.6
185.13260	1.5
186.10413	1.1
187.06114	0.4
187.07486	2.1
187.11217	1.7
189.09117	23.9
189.12700	2.2
191.14377	1.5
193.08574	0.7
193.10168	0.8
196.08878	1.0
199.11234	2.9
201.12755	21.2
202.13094	0.5
203.10623	0.7
203.14265	1.0
205.08603	0.8
205.10371	0.4
207.10176	11.8
207.13887	1.0
209.08136	0.6
211.11206	5.1
213.03845	2.3
217.12212	3.6
219.10220	1.4
219.13794	6.5
221.11713	0.4
225.11194	0.6
229.12245	20.5
231.05023	0.8
231.10124	0.5
235.13332	1.8
237.14929	0.4
241.12256	1.3
247.13310	17.1
249.11259	5.4
259.13354	0.7
261.14838	0.6
265.14362	6.1
267.12308	0.8
271.13162	0.5
277.14404	1.2
289.14301	3.3
291.07010	0.3
307.15436	5.2
325.16479	3.3
349.16336	0.6
367.17526	100.0
368.17868	2.5
385.18634	3.2
385.29263	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.3408
Annotation	Chondramide A
Peak:m/z	Relative Intensity
53.74397	0.3
65.27791	0.3
67.05509	0.4
67.91418	0.4
69.41634	2.8
72.66408	0.4
81.07086	0.6
91.05459	0.4
103.66663	0.4
104.56228	0.4
119.08604	0.7
131.08571	0.5
133.10133	0.5
145.98961	0.4
203.05217	0.5
243.08542	0.9
264.28763	0.4
429.26175	2.1
485.28702	2.2
587.50262	0.4
603.81049	0.4
647.34052	100.0
648.34357	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.3407
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36295	0.3
52.67954	0.3
60.26770	0.3
67.05505	0.6
70.56522	0.6
79.05489	0.8
81.07057	1.1
91.05500	0.4
93.07037	0.4
95.04963	0.5
95.08620	0.6
103.60052	0.3
105.03419	0.9
105.07045	0.7
116.00709	0.4
119.08595	0.5
145.10126	0.4
203.05354	0.5
221.15549	0.3
243.08427	0.6
279.23007	0.4
394.25174	0.4
429.26126	1.6
485.28778	1.8
525.17932	0.5
644.01404	0.4
647.34015	100.0
648.34149	3.6
657.26660	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.0768
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.0
53.93679	0.7
55.01859	1.2
56.96570	55.7
57.03442	2.0
57.97369	0.8
61.02939	2.1
68.96583	0.9
69.03436	6.3
69.17992	7.9
70.98116	0.8
71.01353	6.2
71.05022	0.9
71.95262	3.3
72.08152	1.8
72.96025	0.9
73.02911	2.0
78.04697	0.9
81.03416	2.7
81.09777	0.8
84.96041	78.6
85.02908	12.8
87.04465	1.8
97.02901	8.0
98.97591	56.9
99.04454	1.7
99.79865	0.9
101.00908	1.5
101.02387	1.1
102.97082	8.6
107.04962	1.4
109.02889	1.3
110.97576	90.0
111.04450	0.9
112.99120	3.5
113.00911	2.4
113.02370	1.6
115.02430	1.4
116.98627	20.9
119.01924	2.6
120.98032	1.2
122.97573	1.3
123.04476	1.4
124.95502	4.4
124.99117	3.7
126.97050	3.0
127.00704	2.9
127.03914	3.7
128.98613	74.0
129.01808	1.3
131.00230	4.0
131.01903	5.6
132.67122	0.8
134.99634	3.7
137.05991	1.1
138.97041	8.5
139.03932	1.5
140.03401	1.2
140.98592	8.4
141.01898	1.9
142.96544	3.0
143.00191	10.0
143.01921	3.2
144.98103	6.9
145.01701	4.0
145.03442	2.5
145.04990	2.4
146.99654	22.8
147.04317	1.6
149.01067	0.9
150.97028	10.4
150.99042	1.1
152.00206	1.7
152.01619	0.8
152.98637	5.5
155.00073	1.1
155.01895	4.5
156.98103	35.1
157.03462	2.2
158.99640	13.8
159.01437	1.9
159.02893	1.0
160.97588	1.9
161.01233	8.5
161.02924	2.3
162.99139	3.9
163.02765	0.9
165.00589	1.7
166.96515	1.2
167.00177	0.9
167.01927	2.5
168.98111	34.3
169.03416	1.8
170.05200	1.8
170.99661	15.6
171.01366	4.1
173.01225	3.5
173.02989	4.6
174.99162	57.9
175.04327	1.2
177.00731	8.7
177.04277	1.5
178.96483	4.3
179.02310	2.6
180.98155	2.4
180.99898	0.9
182.99696	3.1
183.01408	6.1
184.02345	1.2
184.97566	6.9
185.01332	1.7
185.02943	13.8
185.06519	1.2
186.99155	44.5
187.02722	1.9
187.04385	1.0
189.00739	11.3
189.02341	1.7
191.02138	1.1
193.00241	10.9
193.03406	4.9
194.99687	1.2
195.01453	2.8
196.97589	37.6
197.01389	1.7
197.03009	3.7
197.98341	1.0
198.99150	11.9
199.00899	8.1
199.02670	1.5
199.04391	1.0
201.00729	9.9
201.02452	4.3
202.98662	9.5
203.02290	2.0
203.04008	4.5
203.07750	2.4
205.00258	9.0
207.01593	4.7
207.05035	0.9
209.02975	1.7
210.99156	1.8
211.04582	2.2
213.00656	2.2
213.02550	2.2
214.98645	100.0
215.07603	1.5
217.00191	21.0
217.02022	5.5
219.01770	36.1
220.02135	1.0
221.03011	4.2
221.05116	3.9
223.00941	2.6
223.04640	1.2
223.06592	1.0
224.97006	1.0
225.00667	0.9
225.02467	5.0
226.98570	2.7
229.00272	6.2
232.99719	65.9
234.00139	1.1
235.01196	3.8
237.02812	39.9
238.00238	1.7
238.98718	2.6
239.04175	3.9
239.07761	1.3
240.99913	1.6
241.02037	5.0
242.98073	3.0
243.03418	2.9
244.04196	1.0
244.99695	4.7
245.05270	1.6
247.01215	6.6
249.02467	2.3
250.98524	1.3
251.00819	10.5
251.04184	2.2
253.00146	2.1
254.98044	1.4
255.03868	4.2
256.99698	13.2
257.05142	1.1
259.00760	4.7
259.03152	2.0
260.99213	3.8
261.02618	5.8
263.00739	2.6
265.02304	6.2
267.03516	3.3
268.99680	5.6
269.04993	1.2
272.99207	2.5
275.00806	16.2
277.01877	5.2
279.03720	3.5
280.99536	1.7
283.01276	3.1
284.99109	2.0
287.00476	20.8
289.02087	1.7
291.07620	1.0
293.02072	1.1
295.03012	11.1
296.99194	4.3
297.04599	4.6
299.00729	3.3
300.99057	1.6
301.02484	2.7
305.01477	36.6
305.10867	8.3
308.99258	10.7
309.04642	9.8
309.08130	1.8
310.05106	1.2
311.00577	1.2
312.98828	1.5
313.02176	11.0
315.00293	8.0
317.01718	1.6
319.03351	2.6
321.08539	1.4
323.02518	36.5
323.11459	1.0
324.98956	1.8
325.04025	11.8
325.57465	1.0
327.00232	19.0
327.05603	36.0
328.05844	1.4
329.02252	1.4
330.99930	1.4
331.03461	5.4
333.01096	1.8
341.01590	24.5
342.99780	5.6
343.05078	21.9
345.01297	56.9
346.01443	1.5
347.02893	2.0
349.04257	1.5
351.09344	1.4
359.02863	43.9
359.06787	2.2
360.02847	1.1
361.00885	2.5
361.05362	1.1
363.02338	6.2
365.07501	1.9
365.12857	1.8
368.02429	1.4
377.03906	13.4
377.08795	1.0
382.04688	1.2
387.02435	8.0
405.03348	3.5
435.04666	1.1
453.05011	0.9
455.01300	3.5
457.02902	1.1
459.04608	1.2
467.01337	45.2
468.01413	2.4
471.04660	1.3
485.02292	78.3
485.07883	6.2
486.02521	2.7
487.03864	2.3
489.05597	10.4
489.12222	1.6
503.03302	2.0
533.84454	1.0
610.54614	0.9
615.05090	2.4
647.07538	7.1
647.18860	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	644.271
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.3
57.03435	0.6
69.03424	0.9
69.82066	0.2
70.04038	0.2
70.06600	0.3
70.90788	0.6
75.93031	0.2
81.03431	0.5
81.07064	0.3
85.02441	0.3
85.02924	3.8
91.05492	1.4
93.22407	0.2
95.04977	0.5
97.02907	1.2
103.05461	0.5
105.03409	1.8
105.07059	0.4
107.08581	0.3
109.02898	0.4
109.06519	0.3
114.45000	0.2
115.05466	1.0
117.07007	0.3
119.04908	0.4
122.03685	0.3
127.03919	0.5
128.06223	1.2
129.07027	5.8
130.07779	0.4
131.04938	1.4
131.08591	6.5
137.05998	7.0
141.07002	5.6
144.05716	0.9
145.04970	0.7
145.06487	0.5
146.07262	0.6
149.05995	0.4
151.07538	1.0
157.06511	5.0
158.07289	2.3
159.04466	0.4
159.08073	7.2
160.05219	0.7
161.09639	0.6
163.07516	0.7
169.06502	3.0
169.07750	0.2
170.07365	1.4
173.05902	0.3
174.06787	13.4
175.07562	2.8
180.08704	0.3
186.06789	3.4
187.07568	0.5
188.08327	0.6
189.09137	23.1
190.09445	0.5
191.06964	0.4
191.10699	1.9
201.09125	10.4
219.10190	100.0
220.10448	1.4
325.14380	0.5
445.52676	0.3
502.07504	0.3
586.63855	0.3
604.85248	0.3
607.05365	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	646.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.0
55.01864	0.6
55.46358	0.4
57.03425	1.1
59.05012	0.5
67.05492	1.4
68.05008	0.6
68.99783	0.5
69.03434	5.6
70.06573	0.8
71.01333	0.6
71.51996	0.7
72.08124	0.5
73.02914	1.5
80.13940	0.4
80.75349	0.5
81.03429	4.3
81.07034	0.5
84.08143	0.4
85.02908	5.0
85.29930	0.5
86.09702	0.5
87.00821	1.6
97.02905	2.6
99.04441	1.8
103.05451	0.6
105.67931	0.4
109.02902	4.3
109.05100	0.5
119.08628	0.6
120.08085	0.5
121.31837	0.4
127.03924	4.0
131.04910	1.3
134.04622	7.0
137.06021	0.8
140.02763	0.8
141.96953	0.5
145.04945	1.0
149.99910	0.5
152.05681	1.7
158.07169	0.7
159.02902	0.7
164.61183	0.4
165.02342	6.9
167.02655	0.7
168.56657	0.5
173.58261	0.4
175.09789	1.2
181.05440	1.2
182.04979	100.0
183.05263	0.5
183.06729	0.6
185.08215	0.6
190.03114	1.0
194.04994	3.5
200.09341	1.4
201.10027	0.6
205.05481	4.4
216.04671	2.9
218.04819	0.7
219.07074	1.5
221.08659	1.1
224.06035	1.4
231.07011	14.3
248.09674	30.4
249.09967	0.6
266.10730	36.7
267.10944	0.7
277.54230	0.4
314.09186	1.4
333.52197	0.5
380.14136	0.7
386.11526	0.5
398.14954	3.2
470.17087	13.1
514.16071	38.1
515.16254	0.8
602.21167	4.4
620.39142	0.5
646.20282	20.7
647.20404	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.3132
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81153	1.0
55.05523	1.6
56.08815	1.0
57.07067	1.2
59.05011	1.0
67.05501	3.3
71.51898	1.3
78.87358	1.0
79.05485	1.5
81.07059	3.3
87.57523	1.0
89.06023	1.5
91.05470	1.8
93.07037	2.3
95.08604	2.0
103.21583	0.9
107.08627	1.2
117.07018	1.0
119.08595	2.0
156.09369	1.1
261.13968	1.9
290.16891	1.0
291.19165	1.3
301.15353	1.0
313.16190	1.2
335.25693	1.2
340.18292	1.5
349.15826	1.1
352.18417	1.3
353.18304	1.1
354.19626	1.2
368.21201	1.6
377.17773	5.1
378.18347	1.2
379.19257	2.9
391.19199	3.5
392.19846	2.9
393.20685	3.4
395.18631	3.1
405.20737	2.2
406.21854	2.7
407.22702	6.5
408.19455	1.3
409.20270	9.6
421.23984	4.7
423.21851	6.5
424.22470	1.2
425.23206	1.2
451.21033	2.0
465.22812	10.4
479.24411	4.2
493.26184	1.6
495.27249	3.1
497.24841	1.3
511.27164	15.0
512.26428	1.1
525.28687	2.8
537.24622	4.0
539.26501	2.2
541.27832	1.3
553.27722	1.3
555.25946	2.8
567.29761	22.3
568.30212	1.7
569.27985	4.9
583.29285	8.9
584.29688	4.3
599.32361	100.0
600.32526	4.6
643.32214	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	643.2403
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29214	0.9
57.50465	0.8
59.11285	0.6
66.23817	0.7
71.04195	1.6
121.73260	0.7
162.75156	0.7
203.27493	0.7
256.35886	0.8
396.12015	1.4
397.12744	1.9
398.13565	0.7
409.12863	0.9
410.13809	2.8
411.14651	7.0
412.15225	3.1
413.15903	2.9
423.14584	2.1
424.10837	1.5
424.15399	2.3
425.16324	13.2
426.17004	8.1
427.17435	2.1
428.18381	1.7
438.12994	3.0
438.17874	1.3
439.13654	15.1
440.18988	5.9
441.19366	36.5
442.19415	2.9
446.41104	0.9
451.13992	1.0
452.14474	5.4
453.15405	20.9
454.15979	5.9
455.21185	0.9
456.18286	0.7
465.14923	1.2
467.17172	25.8
468.17957	16.0
469.18787	12.9
481.14697	12.6
482.15546	3.2
485.18085	1.3
495.17090	2.6
496.17368	10.9
499.19650	1.7
509.18228	2.7
512.21155	1.2
523.19983	1.4
527.22827	2.9
542.22064	1.2
555.22424	35.6
556.22754	2.4
568.20178	0.9
583.21948	100.0
584.22375	5.6
587.25159	2.5
614.23853	0.9
615.24603	13.5
616.24768	1.3
643.24042	63.0
644.24524	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	643.24
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05479	0.4
69.16359	3.7
79.05449	0.3
81.07042	0.4
85.33792	0.3
95.08607	0.4
107.08595	0.3
110.53271	0.3
133.10036	0.4
289.07553	0.3
396.11923	0.7
397.12906	1.7
398.13672	0.6
409.13287	0.5
410.13596	2.3
411.14661	4.8
412.15231	2.8
413.16022	1.5
423.14529	1.2
424.10922	1.0
424.15332	1.8
425.16220	9.9
426.16870	5.5
427.17496	1.5
428.18542	0.5
432.70129	0.3
437.16815	0.8
438.12433	2.9
439.13480	8.2
440.13452	0.7
440.19128	3.0
441.19385	24.0
442.19699	2.5
451.18292	0.4
452.14322	3.9
453.15317	10.5
454.15811	2.7
463.14127	0.5
465.15778	0.6
466.11990	0.6
466.17609	0.4
467.17255	21.4
468.17877	10.7
469.18912	11.0
470.19043	1.3
481.14896	13.1
482.15375	3.3
483.15778	0.5
495.16193	3.7
496.17114	19.4
497.17804	2.5
499.19385	0.5
508.18936	0.5
509.18207	1.4
510.18460	0.4
512.20465	0.7
514.22156	1.0
522.18237	0.3
523.19641	0.5
524.20612	0.4
524.52222	0.4
525.16901	0.4
527.23120	1.4
528.19415	0.5
539.19440	0.5
540.20868	0.4
541.20422	0.4
542.21521	0.8
555.22510	18.9
556.22784	1.7
568.19287	0.8
583.21960	100.0
584.22247	6.8
587.25085	1.2
611.21448	1.5
614.24634	0.4
615.24493	6.6
616.25763	0.4
643.23749	35.6
644.23578	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.6
55.01886	2.2
55.05507	2.7
60.04538	1.9
65.03937	6.4
67.05514	4.1
69.03431	4.6
69.07067	2.5
70.06591	3.6
71.50774	2.6
72.08167	3.1
77.03936	2.1
78.04703	1.6
79.05499	6.6
81.03424	4.7
81.07056	5.1
82.04230	2.6
83.04987	3.2
84.08142	9.5
85.02903	6.3
86.09708	2.8
91.05495	8.4
91.98190	1.4
93.03428	2.5
93.07056	3.8
95.04981	7.0
95.08610	4.8
97.06554	3.5
103.05486	21.7
105.03387	4.0
105.04549	1.6
105.07043	9.1
107.04936	9.1
107.08596	2.9
109.06527	4.8
109.10149	2.6
110.03659	2.5
115.05463	5.9
117.07034	6.2
118.04144	3.5
119.04969	1.9
119.08596	2.8
120.08103	2.4
121.06504	3.0
121.10139	2.5
123.04469	7.8
125.06017	6.1
125.09697	1.6
129.10249	1.9
131.04956	21.6
131.08623	1.9
133.02916	2.5
133.06514	8.1
133.10143	3.3
135.08066	3.1
137.05951	9.7
139.03877	1.9
142.02597	1.9
145.06491	5.9
147.04439	2.1
147.08034	2.8
148.05185	8.5
149.06000	3.5
151.03964	5.0
151.07576	3.0
153.05431	8.4
155.06029	2.7
155.07124	2.4
157.06544	1.9
159.08005	2.2
161.05992	5.9
161.09692	2.4
163.07579	19.1
163.11203	2.2
165.05508	7.3
165.09137	2.8
167.07056	55.1
169.08667	1.7
169.57834	1.5
171.06511	5.3
173.06015	8.0
173.09389	1.7
175.07625	2.9
177.05539	2.0
179.06967	1.9
180.07758	2.9
181.04968	100.0
187.07547	4.0
189.05479	1.9
191.07045	83.7
193.04980	5.5
193.08658	2.3
195.06543	1.6
201.05403	2.4
205.08589	6.0
207.06427	3.4
208.07349	4.4
209.08112	4.5
217.08562	3.9
219.10161	4.6
225.07498	10.5
226.08424	2.3
233.08150	4.9
235.09680	6.9
245.08139	3.4
263.09201	14.2
267.10117	2.6
283.13257	1.6
295.09543	1.7
297.11240	2.3
304.10278	1.7
325.10840	2.5
329.10263	2.0
357.13275	3.9
367.11765	2.0
385.12762	10.9
387.14404	2.4
399.14688	2.1
417.15567	13.3
445.29367	2.2
476.99289	1.8
540.03217	1.8
594.71851	1.9
643.28809	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	642.3851
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.8
55.01873	1.0
55.05513	5.0
56.71151	0.9
59.23513	0.9
61.02925	1.8
67.05510	13.6
69.07063	3.9
70.81217	1.9
71.04974	1.6
72.92606	1.0
74.17131	0.9
79.05497	12.4
79.58579	0.8
81.07061	14.7
83.04989	1.6
83.08614	2.2
85.02884	2.0
85.06560	1.2
91.03951	1.1
91.04971	1.4
91.05486	13.9
93.07050	12.1
95.04955	1.7
95.08612	8.5
97.02907	2.0
97.06567	1.7
97.10158	1.5
99.08099	1.2
105.03394	1.9
105.07041	15.4
107.04963	1.5
107.08587	4.7
109.10153	3.5
109.20599	0.9
117.07047	7.7
119.08599	10.1
121.06480	1.8
121.10120	3.7
123.08087	1.6
125.09632	1.0
128.06160	1.5
129.07005	6.7
131.08575	12.4
133.10155	5.8
135.11687	2.2
137.09641	1.1
141.06990	2.1
143.08548	5.8
145.10110	9.1
147.08080	1.1
147.11685	3.4
149.09570	1.7
155.08543	4.0
155.19684	0.8
157.10100	3.1
159.11679	3.9
169.10117	2.3
171.11668	4.2
173.09541	1.0
173.13229	1.5
183.11638	1.8
185.13252	3.0
195.11642	1.4
197.13226	1.5
199.14732	1.6
209.13252	1.7
211.14938	1.4
215.14223	1.3
220.90874	1.0
312.04559	1.0
325.25143	1.1
335.23663	1.4
343.26468	0.9
353.24658	4.2
366.60446	1.2
371.25745	5.7
389.26889	5.5
392.05014	0.9
445.29517	100.0
446.29703	3.6
462.20273	1.9
463.30594	24.0
469.73843	1.2
642.29950	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	642.4943
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.3
55.01868	5.1
55.05513	6.1
57.03430	3.2
57.07083	13.0
59.05007	8.4
62.24038	1.2
67.05508	5.8
69.07069	7.1
69.86597	1.4
71.08641	9.9
71.11908	1.7
71.40560	1.2
75.56334	1.2
79.05486	4.5
80.44709	1.2
81.07063	28.2
81.35847	1.3
83.04958	2.6
83.08617	5.0
85.10184	5.9
91.05489	1.6
91.93562	1.5
93.07048	3.7
95.08623	8.4
97.10193	1.7
105.07018	3.0
107.04847	1.3
107.08578	2.7
109.06530	12.4
109.10161	4.9
111.04456	14.6
117.09149	1.6
119.08571	5.0
121.10153	4.7
123.11686	1.6
125.05987	2.6
127.79992	1.2
131.08618	1.6
133.06491	1.3
133.10161	4.7
135.08038	2.5
135.11678	3.5
137.05986	100.0
137.13213	1.3
147.11688	5.6
149.09607	4.3
149.13275	2.3
157.10109	1.5
161.09595	4.3
161.13301	1.8
163.11230	3.8
165.09056	1.6
175.11171	3.7
179.10693	1.4
203.17996	4.0
213.16452	3.1
221.18939	1.5
231.17450	6.4
247.90472	1.4
249.18498	6.8
277.18005	50.6
286.69986	1.4
295.19046	8.6
313.27383	27.3
351.21686	17.2
369.22559	1.4
589.44629	58.4
589.54095	2.8
590.44812	2.6
643.46216	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.3851
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.4
55.01855	1.4
55.05515	6.1
57.03425	1.4
58.07063	1.2
61.02917	1.3
65.92390	1.1
67.05511	15.7
69.07088	6.0
69.07421	1.0
69.78954	6.2
71.05004	1.7
79.05494	15.1
81.03419	1.2
81.07063	14.0
83.04970	1.5
83.08613	2.7
85.02917	2.2
91.05490	18.0
93.07048	12.7
95.04988	2.2
95.08618	10.7
97.06512	2.1
98.21497	1.3
103.05483	1.1
104.36388	1.3
105.07036	19.9
107.04952	2.5
107.08609	6.9
109.06497	1.3
109.10160	4.3
117.07037	8.7
119.08587	10.4
121.06532	1.7
121.10161	5.6
123.08029	1.3
123.11707	1.4
129.07014	6.4
131.08560	17.2
133.10117	6.7
135.08037	2.8
135.11610	2.3
137.09633	1.2
141.06993	2.7
143.08559	5.0
145.06477	1.7
145.10121	9.7
147.08076	2.1
147.11699	2.3
155.08525	1.9
157.10161	5.1
159.11700	3.7
167.08528	1.6
169.10222	2.9
171.11708	3.4
173.13231	2.7
181.10144	1.6
183.11755	1.9
185.13332	1.8
187.14825	2.0
195.11647	1.7
197.13277	1.3
199.14900	2.0
211.14792	2.1
247.16888	1.4
265.38062	1.5
335.23648	1.7
343.26212	1.8
353.24789	4.1
371.25751	4.9
389.26999	7.2
434.20700	2.0
435.21274	1.1
445.29523	100.0
446.29968	3.0
458.01624	1.6
462.20065	2.4
463.30582	28.8
466.19534	1.1
477.22827	2.0
496.24841	1.4
549.25024	1.6
582.27893	12.1
642.19922	1.9
642.29962	30.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2976
Annotation	Scortechinone S
Peak:m/z	Relative Intensity
53.13308	1.3
53.58726	1.5
56.08920	1.2
57.03431	1.4
67.05499	4.2
69.07082	3.2
69.19445	10.9
69.19850	3.2
79.05499	1.8
81.07055	3.4
82.45789	1.4
91.05486	3.3
93.07049	4.3
95.08618	3.8
98.21454	3.6
105.07035	3.1
107.08603	1.8
109.10146	1.7
120.58328	1.6
124.73882	1.7
131.08537	1.7
143.08548	1.7
147.28897	1.5
152.66176	1.5
206.16661	2.0
328.14249	1.7
343.30899	1.6
389.17828	2.1
403.18964	2.7
404.19458	2.0
405.20395	1.8
407.22183	1.6
414.18414	1.7
415.19019	3.7
416.19971	3.5
417.21066	3.2
418.21317	4.5
421.23846	2.1
429.20786	2.5
430.21658	3.5
431.22421	4.6
433.23911	6.7
444.23349	3.2
445.24274	3.9
446.24783	2.1
449.23315	1.6
458.20593	1.7
459.21777	4.7
460.22620	3.7
461.19785	2.1
462.20261	3.7
463.21228	4.2
473.23309	3.1
474.24277	3.9
475.21231	5.5
477.23026	17.4
487.25354	7.6
490.24100	2.0
491.24182	6.5
505.25891	2.7
506.26849	2.6
519.27747	2.2
532.24524	3.4
535.23273	4.1
545.25671	9.7
546.26385	2.5
547.26971	19.5
549.24872	17.7
550.25812	20.1
563.26752	2.8
564.27527	2.8
577.28625	2.2
579.29779	8.5
591.26025	17.6
605.27631	23.5
609.26056	1.9
623.28619	100.0
624.28735	4.4
626.27246	2.0
641.28961	4.0
641.40540	2.5
642.22949	2.1
664.03217	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2974
Annotation	Scortechinone S
Peak:m/z	Relative Intensity
59.39807	1.0
67.05492	1.3
70.44801	1.1
70.91319	2.0
71.93311	0.9
74.93150	0.9
81.07057	2.0
83.08633	1.0
93.07088	1.5
95.08597	1.5
105.07102	1.0
108.17358	0.9
119.08555	1.1
121.10093	0.9
124.07619	1.0
131.08456	0.8
139.62631	0.9
166.47699	1.0
188.03342	1.1
210.11386	1.5
211.12216	1.1
223.12187	1.6
224.13139	1.6
225.13797	2.2
227.11789	1.6
239.11865	1.0
239.15401	1.8
313.16156	0.9
319.16794	1.0
367.43445	1.0
379.75940	0.9
384.17136	2.1
389.17578	1.1
391.18927	1.5
392.19873	1.3
401.18097	1.1
402.18600	1.1
403.19308	3.3
404.20142	2.3
405.20758	1.5
406.21362	3.6
407.22299	5.3
412.16464	2.9
415.19254	2.1
416.19928	1.8
417.20941	4.1
418.21420	3.0
419.22476	2.5
420.22906	2.5
421.23700	5.8
422.24197	5.0
427.18802	1.6
429.20596	3.6
430.21915	1.2
431.23184	4.8
433.24084	6.9
434.24512	4.4
443.22714	1.3
444.18887	3.0
444.23862	1.6
445.19443	1.9
445.24332	3.0
446.24332	1.1
447.25943	1.9
449.23425	1.7
459.21204	1.7
460.22733	2.2
461.19101	2.4
462.20514	3.4
463.21255	3.5
472.22549	1.6
473.23801	4.6
474.24188	2.9
475.21259	4.5
476.21689	2.6
477.22858	15.5
487.25156	6.0
489.22699	2.0
491.24289	4.3
503.24191	1.9
505.25824	3.1
506.26758	2.0
515.24524	1.5
518.23535	1.4
519.27637	3.8
521.21698	1.3
535.23669	2.8
545.25500	7.7
547.19360	1.3
547.27161	14.4
549.25195	9.6
550.25714	13.9
563.26263	5.2
564.27148	2.9
577.27911	1.8
579.29816	7.8
581.27264	1.2
591.26050	13.4
605.27692	17.5
609.27307	9.1
623.28693	100.0
624.28741	4.6
626.26880	1.7
641.28937	7.7
642.22772	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2966
Annotation	Crooksiine
Peak:m/z	Relative Intensity
52.47505	0.3
53.52209	0.3
57.38019	0.2
70.63274	0.8
70.63615	0.3
84.80471	0.3
101.27078	0.3
145.94705	0.3
165.51662	0.3
183.71021	0.3
213.10301	0.4
223.08629	0.3
223.12402	0.4
225.10214	0.4
237.10205	0.3
239.11861	0.5
302.13235	0.3
325.15530	0.3
328.14459	0.7
329.15231	0.5
330.15964	0.4
342.15823	0.5
356.17575	0.3
363.16147	0.3
376.16833	0.4
377.17798	0.5
389.17734	0.4
390.18488	0.6
391.19089	0.9
392.19675	0.3
400.16357	0.4
404.16473	1.0
405.17047	0.8
405.21417	0.5
406.21680	1.0
407.22812	0.5
409.20596	0.4
417.21207	0.4
418.17462	1.4
419.18253	1.8
420.23386	0.5
421.23755	0.8
422.21158	0.4
430.21661	0.6
431.18661	0.4
432.19562	1.1
433.20367	3.9
434.21329	1.9
435.21927	0.9
436.19006	0.5
437.19046	0.4
445.20544	0.7
446.16733	0.5
447.18024	1.4
447.22360	1.1
448.22403	1.2
449.23849	1.4
451.21027	0.6
460.18628	0.6
461.19598	9.3
462.20251	3.6
463.21265	0.7
465.18863	1.8
467.24374	1.9
475.21381	1.2
476.21881	2.4
477.22906	2.7
478.22717	0.3
479.20880	1.3
480.21664	1.1
481.22159	0.4
489.23419	0.6
491.20737	0.4
493.22144	1.9
494.22794	4.4
495.23953	1.5
506.22577	0.3
507.23898	1.2
520.24487	0.8
521.21021	1.4
533.21802	0.4
534.26703	0.3
535.26514	1.0
539.23438	0.4
548.24329	3.2
549.24792	1.3
553.28302	1.1
554.25226	0.3
563.26605	5.1
564.26465	0.9
565.24103	0.6
566.24951	0.9
576.23480	0.4
580.26385	0.7
581.27704	10.2
582.28455	0.5
593.24152	0.7
607.29138	0.4
608.26270	2.3
609.26886	0.6
612.26178	0.5
623.28357	1.7
624.27686	0.5
626.26666	0.6
641.29675	100.0
642.29926	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	641.2972
Annotation	Unknow
Peak:m/z	Relative Intensity
65.98233	0.7
67.16117	0.7
69.75509	1.9
69.75909	2.9
79.05484	0.9
106.96735	0.9
111.76412	0.8
114.54636	0.7
164.80659	0.8
187.97624	0.7
211.12360	0.7
227.63107	0.7
289.00586	1.0
307.60690	0.8
330.16092	0.8
354.12244	0.9
391.18933	0.9
405.21170	0.9
406.21402	2.4
419.18671	3.0
432.19330	1.2
433.20276	3.7
434.21033	3.2
446.16830	1.1
447.17957	2.2
448.22659	1.1
449.24042	1.7
461.19397	9.2
462.20331	4.5
463.21759	1.3
465.18991	1.7
467.24466	4.3
475.21420	2.1
476.22119	3.9
477.23096	4.3
479.20590	1.1
480.21368	1.3
489.22879	1.1
493.22159	1.8
494.22937	6.8
495.23846	2.8
507.23422	1.4
520.24432	1.0
535.27094	2.0
548.24213	5.3
549.24731	1.2
553.27905	2.1
563.26794	6.3
564.26001	0.9
566.25012	1.3
581.27582	40.1
582.27631	1.5
609.26929	1.1
641.29675	100.0
642.29944	2.9
656.12952	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2608
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13126	1.2
67.05518	2.7
69.07079	1.6
70.86964	4.2
70.89455	1.2
74.69575	1.3
77.46454	1.3
79.05493	2.5
81.07067	4.7
91.05537	2.1
93.07044	2.1
95.08627	2.6
107.04947	1.6
109.10148	1.7
121.10097	1.4
129.60425	1.4
144.08107	1.9
163.22339	1.4
221.10669	2.6
223.12363	1.8
235.12329	2.4
237.10306	1.5
245.02139	1.4
249.10185	2.4
251.11903	2.0
263.11832	2.3
264.11447	1.6
265.13358	2.7
276.11435	1.6
295.31171	1.3
304.10846	1.8
306.12256	4.5
325.14447	1.8
332.14221	2.4
351.16318	2.1
353.17685	2.9
367.19351	1.8
369.20654	2.3
381.77463	1.5
383.18488	2.3
393.17056	2.3
395.18796	2.5
397.20297	4.4
407.18600	2.6
411.18106	5.3
421.20319	2.5
423.17783	2.9
425.19925	4.2
426.20468	3.1
437.19797	2.5
439.22012	2.5
451.21530	2.5
467.24133	1.6
481.22690	1.6
483.23624	5.5
484.24570	3.8
511.24054	9.9
512.24030	2.0
527.26202	3.1
555.25903	11.4
569.28027	1.8
571.25537	13.4
597.27075	11.9
598.24249	7.8
599.25037	100.0
600.25336	3.9
613.26678	10.9
641.26062	21.8
654.94800	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.172
Annotation	Laricitrin 3-rutinoside
Peak:m/z	Relative Intensity
53.03936	0.2
55.01877	0.4
57.03434	0.7
61.02937	1.1
68.99806	0.5
69.03083	0.2
69.03433	2.0
71.05004	0.9
71.46404	0.3
71.46742	0.2
73.02917	0.2
81.03449	1.1
81.07057	0.2
85.02917	6.1
87.04492	0.3
91.03960	0.4
91.05499	0.2
97.02922	1.7
99.04472	0.4
105.07053	0.2
109.02896	1.1
111.00844	0.8
123.04429	0.2
127.03941	1.1
129.05479	0.2
137.02386	0.4
139.03926	1.6
140.04703	0.2
145.05048	0.8
151.03917	0.4
153.00618	0.2
153.01854	4.5
161.05992	0.2
165.01846	1.4
166.02701	0.3
167.03409	1.5
169.01312	0.3
179.03438	0.5
183.02855	0.4
189.05521	0.3
193.05058	0.4
195.02969	0.2
199.04034	0.2
203.03477	0.2
205.05064	0.2
206.05756	0.3
208.03642	0.3
216.04074	0.1
217.04993	2.1
219.02872	1.6
227.03360	0.3
231.06659	0.2
233.04466	0.7
234.05370	0.4
241.05008	0.2
243.02989	0.2
244.03725	1.3
245.04491	3.0
247.02390	0.2
255.02834	0.3
258.16644	0.2
259.06097	0.7
261.03989	0.6
262.04605	0.2
265.78418	0.2
272.03293	0.5
273.03967	2.6
277.07196	0.9
287.05542	1.2
289.03424	1.7
290.04330	1.5
300.02701	0.3
301.03473	4.0
302.04218	0.2
304.05786	0.5
315.04968	0.5
318.03766	7.6
319.04074	0.2
333.06085	100.0
334.06473	1.5
366.43051	0.2
375.06903	0.2
433.38519	0.2
479.11899	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	641.1782
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85181	0.8
55.01870	1.5
56.96298	1.6
56.96570	23.1
57.03446	4.6
58.99892	0.9
59.04990	1.9
61.02912	1.8
69.03432	7.9
69.64506	4.6
71.01372	7.9
71.04981	2.0
71.95248	2.3
72.08155	0.9
73.02904	3.6
77.41618	0.8
81.03403	2.9
82.99873	1.3
83.04986	2.2
84.08122	0.9
84.96038	10.1
85.02915	11.1
87.04490	3.8
95.01325	1.0
97.02901	10.3
97.96841	1.0
98.20871	1.8
98.97593	66.2
99.04428	1.2
100.99150	1.1
101.00911	5.8
102.96922	1.3
103.02450	2.4
109.02885	1.0
110.97578	18.6
111.04445	1.4
112.98405	1.2
112.99152	18.9
113.00860	3.4
113.02374	3.2
115.00614	0.8
115.02467	6.3
115.03906	0.9
116.98640	18.9
119.00197	0.9
119.01931	8.0
120.02572	1.0
124.99109	2.8
126.97048	1.2
127.00696	2.4
127.02431	1.7
127.03914	3.5
128.98625	14.1
129.02077	3.0
129.03116	1.3
129.03993	2.8
131.00192	17.9
131.01892	5.2
133.01735	1.6
133.03482	12.4
134.99651	3.5
136.06189	1.1
136.99139	1.2
138.97089	1.1
139.02441	1.3
140.03603	0.9
140.98618	2.5
141.02213	1.2
141.03903	2.0
143.00166	7.7
143.01889	5.7
143.05531	0.8
144.98053	1.6
145.01680	3.0
145.03479	5.1
145.04936	3.1
146.99657	5.3
147.01419	1.5
147.03258	2.0
147.05098	4.1
149.01193	7.3
150.97032	1.0
151.04573	1.1
152.98682	1.7
153.04054	1.9
153.05707	0.8
154.01965	1.0
154.93242	1.2
155.00186	2.2
155.01910	10.1
156.02306	1.1
156.96713	1.0
156.98077	3.9
157.01744	2.0
157.03505	6.3
158.99675	16.8
159.01375	1.9
159.03296	6.2
159.05095	7.2
160.00296	0.9
161.01222	7.3
161.03027	5.5
161.06642	1.1
162.01974	1.0
162.99141	1.5
163.02800	3.2
165.00661	1.1
165.04074	1.3
167.02121	1.0
167.09283	0.9
168.04721	1.4
168.98055	3.1
169.01897	1.3
169.03467	2.7
170.99680	7.6
171.01192	1.4
171.03580	1.4
171.05040	9.0
172.02954	1.1
172.94266	1.0
172.99852	1.2
173.01239	8.7
173.02959	6.7
173.04645	1.6
174.97789	1.3
174.99133	4.1
175.00719	0.9
175.02861	4.0
175.04498	3.7
177.00781	9.7
177.04340	10.5
177.06088	8.1
178.04913	1.7
179.02095	6.8
181.03595	0.8
182.99704	1.3
183.03407	1.9
183.05048	7.0
184.03072	1.3
184.97618	1.5
185.01201	3.3
185.02950	3.3
185.06581	2.5
186.99182	4.2
187.02765	2.4
187.04520	2.3
189.00729	5.5
189.02289	1.4
189.04474	1.6
189.06151	2.7
190.03082	1.1
190.98788	0.9
191.00543	2.1
191.02280	7.3
193.03687	3.2
195.01561	1.5
195.05302	2.5
195.07133	3.7
196.02306	1.0
197.02998	4.3
197.06647	1.8
198.97638	1.4
199.00809	1.1
199.04707	1.0
200.99098	0.9
201.00854	5.5
201.02512	1.7
201.04343	4.7
201.06046	2.4
203.02454	1.6
203.04021	4.9
203.07617	2.0
205.02042	1.2
205.03836	2.7
205.05563	1.4
206.02773	1.3
207.05222	1.6
209.01434	4.2
209.03340	7.3
209.06674	1.5
211.02608	1.0
211.04544	2.6
213.02589	1.1
213.05995	1.5
214.98752	2.1
215.02402	1.8
215.07751	3.9
216.98653	3.2
217.00420	1.1
217.03781	1.2
219.01816	30.7
219.05321	2.9
219.07176	21.7
220.02176	1.2
220.04147	1.3
221.03252	1.8
221.05101	11.7
223.04643	1.9
223.06602	0.9
225.06172	2.1
226.95137	1.0
226.98534	0.9
227.04343	1.5
229.02130	1.8
231.00037	1.9
231.02089	1.5
231.05081	1.7
231.07169	22.7
232.99570	1.5
233.03285	2.4
233.08777	4.0
237.00560	1.8
237.02849	25.0
239.04402	5.1
239.07660	1.9
241.02342	2.4
243.41081	1.0
244.96350	0.9
245.05191	13.4
245.08888	1.3
251.04382	2.3
255.04440	2.2
255.07133	9.5
257.08676	1.3
259.03323	4.0
259.06625	2.4
261.02979	2.1
261.08163	3.2
262.05273	1.3
263.04144	1.1
267.03482	1.1
271.03223	1.8
271.05878	10.1
273.08286	7.0
275.01346	1.0
275.04416	4.3
276.05045	1.1
279.03906	2.6
281.05408	2.7
283.03461	2.0
285.05457	1.4
289.04025	1.1
293.05460	7.7
299.06244	5.7
301.04428	2.5
303.09241	1.5
305.05231	1.7
305.10785	6.9
307.06879	1.6
313.06854	1.3
316.05557	2.9
317.07004	2.7
321.10474	100.0
321.59567	1.6
322.10373	2.4
324.05014	6.3
324.55099	1.7
325.04425	1.6
332.04288	1.6
333.04727	1.4
335.06784	4.0
335.11981	1.1
337.07996	12.8
337.58694	1.2
339.09280	5.8
343.04706	1.9
351.09644	0.9
353.07297	23.3
353.11426	4.5
355.09274	4.2
359.06039	1.2
359.11926	2.1
361.06741	1.8
367.09155	1.3
371.08804	5.9
373.05743	4.6
379.07159	0.9
381.07117	1.8
403.08002	1.3
420.05252	1.3
421.09048	1.8
427.57654	0.9
431.08966	2.6
444.31482	1.0
447.10840	1.8
449.10754	2.8
451.11765	1.3
459.55359	1.1
461.10706	12.3
479.12222	37.3
521.04926	1.9
581.16541	17.8
609.14954	18.2
641.12073	5.3
641.18994	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	639.4329
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	2.2
57.07056	1.0
58.06603	6.9
67.05503	0.8
70.06566	0.7
71.51656	0.4
72.08159	10.8
73.06545	1.5
79.05482	0.6
80.35880	0.5
81.07069	0.5
83.04985	1.6
84.08151	0.9
85.06506	0.3
85.08961	0.4
86.09708	20.4
98.06042	0.4
98.09681	0.5
100.11259	100.0
101.06021	2.3
101.11617	0.6
119.08558	0.4
140.14380	3.2
146.11801	1.9
154.12292	1.7
154.15938	0.7
161.05014	0.4
161.06454	0.4
172.13278	2.0
200.16513	1.6
214.14377	1.0
228.15930	6.2
285.21738	6.1
299.23318	8.1
304.43030	0.4
313.21469	0.8
327.22775	12.5
367.26013	0.8
395.25485	1.3
412.31613	0.7
440.31055	3.3
458.32327	5.3
484.34027	1.0
512.33539	0.7
579.25391	0.8
596.26343	0.7
607.25970	1.2
611.43805	27.8
612.44135	1.2
621.38440	0.5
639.28619	0.5
639.31171	0.6
639.43030	7.9
640.42859	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.3384
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03966	7.9
54.53487	1.5
55.01877	5.1
55.05523	19.1
57.03446	11.1
61.78860	1.6
65.03935	2.2
67.05513	28.4
69.03431	11.0
69.07082	8.3
69.38310	13.6
71.04996	9.0
79.05509	27.8
81.03428	100.0
81.07064	29.6
83.04989	19.6
83.08631	24.7
85.02917	24.5
91.04920	1.7
91.05497	32.6
93.07066	18.5
93.50619	1.6
95.04983	29.5
95.08607	10.6
97.02901	16.0
97.06548	5.1
97.10176	8.8
99.04466	5.6
103.05465	2.2
105.07053	20.8
107.04961	8.4
107.08607	10.5
109.02910	19.8
109.06527	6.3
109.10165	3.7
109.98713	1.6
111.04477	12.2
111.08092	12.1
115.05473	2.5
117.07041	4.6
119.08598	21.8
121.06509	4.4
121.10148	11.5
123.04461	3.2
123.08117	2.4
123.11737	1.8
125.06056	1.7
125.09647	5.9
127.03949	9.3
129.05524	1.9
129.07007	11.2
131.04918	4.1
131.08571	12.8
133.06555	2.5
133.10135	7.5
135.11671	2.9
137.09613	2.6
138.63541	1.5
142.07825	2.4
143.08595	1.8
145.10170	4.5
147.08098	3.1
147.11699	19.4
149.09663	6.1
155.08669	1.8
157.10132	15.5
163.11241	5.5
165.12810	3.8
175.11215	11.9
189.11205	2.0
191.10712	3.7
193.12260	46.5
209.11737	2.1
211.13318	74.2
227.12833	5.8
229.14328	3.9
235.13339	3.2
249.15044	2.5
267.15994	21.0
277.14325	3.4
285.17044	13.0
301.14417	6.2
319.15387	3.4
337.16418	4.9
355.17502	7.6
361.07376	1.8
385.23727	3.8
393.19125	2.2
411.20236	6.3
429.21344	3.4
459.27374	7.1
477.28595	14.2
495.29529	14.7
585.30511	1.8
603.31531	4.0
621.32874	11.4
639.16351	4.8
639.24683	2.5
639.33826	41.1
640.34027	2.4
658.76495	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	639.2816
Annotation	Cryptophycin 46
Peak:m/z	Relative Intensity
60.71879	3.3
65.16363	4.1
69.72607	22.5
69.87437	3.6
80.21533	4.4
85.98085	3.4
98.21495	6.7
104.65024	3.8
109.24719	3.5
153.71130	4.6
190.63452	4.0
200.77278	3.5
209.10715	5.9
211.12283	4.4
223.12294	4.1
224.13051	7.1
225.13843	4.5
227.08174	3.6
237.13850	6.5
239.15527	4.6
251.11795	4.6
253.13443	5.7
265.09875	4.0
267.14636	4.4
312.12250	4.2
433.23694	5.6
434.17035	6.2
444.19223	6.2
445.20020	4.7
447.18893	4.4
459.21918	42.1
460.22284	9.1
490.18225	4.4
519.23840	9.3
520.21155	5.0
547.26752	16.2
551.26886	6.5
579.25818	10.9
580.26794	5.5
589.23865	5.8
606.28302	63.7
607.25507	29.5
610.26331	5.1
611.28174	18.8
621.27417	8.1
639.28125	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.2814
Annotation	Cryptophycin 46
Peak:m/z	Relative Intensity
59.05011	1.2
67.05500	0.9
70.81751	1.5
97.06554	0.7
108.48388	0.7
119.62091	0.6
135.24068	0.5
221.10797	0.9
221.42397	0.6
281.12805	0.7
325.96463	0.6
376.17200	0.7
377.17795	2.1
378.18643	1.8
379.19473	0.8
389.18002	1.4
390.18655	2.6
391.19199	7.2
392.20102	4.4
393.21188	1.2
398.18893	0.7
403.19193	2.9
404.19977	2.5
405.20825	13.3
406.21490	5.7
407.22311	15.2
417.20856	1.4
418.21875	1.8
419.22531	6.0
420.23230	5.7
421.17639	1.2
421.23883	21.8
422.17551	1.3
422.24591	4.5
431.23022	0.9
433.24503	4.4
434.24664	2.9
435.18365	2.5
435.25357	2.0
436.19025	2.2
445.20316	2.3
447.25555	1.7
448.26724	1.0
449.19165	1.1
449.27652	0.9
450.20511	1.9
451.21262	17.5
452.22095	4.0
459.21484	1.0
460.22620	1.2
461.23691	1.3
463.21335	2.4
464.21887	1.0
465.22910	19.5
466.23621	2.6
473.19727	2.0
475.20892	1.7
475.25729	0.7
476.22125	0.9
477.22977	2.1
478.23804	1.3
479.24295	2.4
486.21033	0.8
487.21426	3.7
488.22092	1.9
489.22870	1.1
491.21030	3.0
492.21457	0.8
492.25534	0.9
493.26163	3.0
501.22989	3.2
502.23193	1.7
503.24478	14.6
504.24734	2.8
505.22562	1.2
507.27576	14.4
508.28137	3.4
519.23816	0.9
523.23413	4.6
533.25494	2.2
535.27087	17.2
536.27515	2.0
537.24963	10.3
551.26501	5.7
552.27338	23.6
561.25043	5.1
562.26044	1.4
579.26038	11.6
580.26764	3.5
593.27051	1.8
595.29120	7.9
607.25281	1.0
621.27124	23.0
622.27509	1.0
639.28125	100.0
640.28748	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	639.2819
Annotation	Cryptophycin 46
Peak:m/z	Relative Intensity
55.05503	1.2
57.44049	0.8
67.05505	1.2
69.73820	2.9
69.74249	3.0
120.90506	0.9
249.10428	1.1
328.14651	1.1
370.15656	1.1
391.19754	1.2
392.16495	1.3
393.16714	1.6
393.21286	1.8
405.17178	1.5
406.18195	1.5
407.18613	3.7
419.14203	1.2
420.15433	1.4
421.20483	9.9
422.20935	2.0
433.20734	1.8
434.16705	1.1
435.17255	4.4
435.23065	1.1
436.22623	5.6
447.17407	1.1
448.18945	3.0
449.19720	14.9
450.20609	5.0
460.18979	1.2
461.19873	1.6
463.21655	7.9
464.22134	14.6
465.22992	2.6
474.20792	1.2
475.21619	2.9
476.18600	1.5
477.19431	4.6
478.20236	3.7
491.21066	2.2
492.21777	2.5
493.22293	1.8
507.24127	1.2
521.97675	0.9
523.23175	2.8
535.23041	2.8
536.24158	2.8
550.25769	2.6
551.26508	8.5
561.25085	3.8
562.24023	1.2
564.23828	10.6
565.24536	1.8
579.26080	58.5
580.26025	1.8
595.25946	1.4
607.25812	1.7
610.27429	1.2
611.28192	1.3
621.26752	1.9
624.26123	2.0
639.28156	100.0
640.28375	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	639.2819
Annotation	Cryptophycin 46
Peak:m/z	Relative Intensity
56.33790	0.8
56.38241	0.7
60.89298	0.7
67.05514	0.8
69.65057	0.7
70.48936	2.4
77.95853	0.8
81.07052	0.7
85.06501	0.6
91.05515	0.7
93.07013	1.0
95.05003	0.8
117.07034	0.7
153.89738	0.7
197.03485	0.7
221.34882	0.7
249.95483	0.6
328.14609	0.8
364.17810	0.7
391.19568	1.2
393.20963	0.9
405.17026	2.0
407.18661	2.6
407.23053	1.6
417.16885	1.0
418.17847	1.5
419.18890	3.2
421.20383	7.6
422.21268	0.8
423.22015	1.2
431.18710	0.9
432.19302	1.3
433.20554	7.0
434.21262	3.1
435.22736	4.8
436.22653	2.7
437.23169	0.8
447.22751	3.5
448.18674	0.9
449.19604	11.1
449.24802	0.8
450.20447	3.1
461.19745	1.6
462.20044	0.8
463.21878	4.5
464.22153	5.7
465.22824	2.1
475.21494	1.9
477.19052	1.7
478.20154	2.1
479.20950	0.9
491.20715	1.4
492.21622	3.2
493.22437	5.4
505.22397	1.0
507.23907	2.0
521.26062	5.7
523.27899	0.9
533.21918	0.8
535.23969	1.9
536.24426	1.3
537.20868	1.0
550.25854	1.0
551.26978	3.8
561.25238	4.6
564.23700	4.1
565.24054	0.9
579.26093	37.2
580.26532	1.6
607.25690	1.4
621.27136	9.5
622.27362	1.3
624.26129	0.8
639.28241	100.0
639.39838	8.2
640.28131	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	639.2815
Annotation	Cryptophycin 46
Peak:m/z	Relative Intensity
50.42848	0.2
63.80773	0.3
64.58252	0.3
67.05529	0.3
67.75758	0.2
69.86317	1.3
71.60416	0.3
77.52349	0.2
95.04965	0.3
97.99981	0.3
134.09673	0.2
164.44810	0.3
204.06593	0.4
213.10258	0.5
225.10143	0.3
227.11833	0.4
237.10182	0.3
239.11725	0.4
251.11865	0.3
253.13550	0.3
311.14120	0.3
314.13000	0.5
322.38623	0.3
326.12833	0.3
328.14670	0.4
340.14642	0.4
363.16132	0.3
374.15018	0.4
377.17996	0.5
391.15512	0.7
392.16306	0.6
393.17047	0.8
393.21304	0.6
403.15402	0.3
404.16501	0.4
405.17227	1.1
406.17883	1.0
407.18579	2.4
408.19403	0.4
417.17059	0.7
418.17975	0.6
419.19397	1.6
420.15689	1.4
420.19849	0.8
421.20468	5.1
422.21017	1.6
423.21945	0.6
428.17261	0.3
431.18866	0.9
432.19904	0.7
433.20306	1.9
434.16519	1.6
435.17276	2.4
435.22995	0.6
436.23117	2.4
445.16644	0.7
447.17197	0.5
447.22064	1.1
448.18530	2.6
449.19675	10.5
450.20416	2.7
451.21619	0.5
459.18179	1.1
460.18869	0.6
461.19736	1.3
461.59076	0.3
462.20282	0.4
463.21732	5.8
464.22116	5.3
465.22934	0.8
473.19687	0.9
474.20551	0.8
475.21603	2.3
476.19098	0.8
477.18835	6.0
478.19958	2.1
479.20935	0.9
489.19260	0.3
491.20764	1.7
492.21255	1.1
493.22250	1.2
495.24139	0.4
505.22430	0.9
507.23938	1.1
513.81995	0.3
519.23737	0.6
521.22125	0.9
522.23621	0.3
523.23077	2.5
533.21344	1.2
535.23627	3.8
536.24139	1.5
537.22058	1.1
547.23608	0.7
549.21411	0.7
550.26276	1.2
551.26721	2.6
561.25195	3.1
562.24103	0.3
563.22925	0.6
564.23676	4.5
565.24310	2.6
567.25958	0.5
578.24512	0.3
579.26050	6.9
580.26215	0.6
581.24341	1.0
582.25812	0.3
592.22998	0.5
593.26782	0.3
595.25513	2.8
596.26105	1.0
607.25415	0.8
610.28021	0.9
611.28308	0.5
621.27069	3.5
622.26001	0.5
624.25806	5.6
639.28125	100.0
640.28741	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	638.4394
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	0.5
55.01879	0.4
55.05515	12.8
57.03431	1.2
57.07081	15.9
59.04992	1.0
62.06104	0.3
66.55359	0.3
67.05507	10.7
69.03432	0.5
69.07072	16.2
70.68945	0.9
71.04992	1.4
71.08636	12.9
73.06158	0.3
73.06561	0.6
73.91305	0.3
79.05506	2.7
81.06587	0.8
81.07058	12.8
82.94664	0.3
83.04992	1.0
83.08624	18.9
85.06539	1.5
85.10190	7.1
90.53524	0.3
91.05495	1.2
93.07047	7.0
95.08614	11.5
97.06537	3.8
97.10175	4.6
98.06090	0.5
98.98466	1.1
99.08099	0.6
101.09644	0.4
107.08597	4.9
109.10164	6.4
111.08066	2.5
113.62663	0.4
115.07533	0.6
121.10165	3.6
123.11720	2.2
124.01601	0.4
125.09647	1.2
125.13242	0.9
137.13260	0.6
146.73988	0.4
149.13277	8.8
155.01050	1.3
167.14340	5.6
184.18779	0.3
185.15395	2.5
191.70117	0.4
210.18541	0.9
228.19644	4.3
239.23691	3.6
241.18002	17.2
257.84717	0.3
259.18967	1.9
282.27960	1.2
313.27408	4.0
414.17587	0.4
416.19748	0.5
420.19324	0.4
436.22626	0.5
463.20865	0.5
475.22003	0.4
477.22348	0.5
497.42035	100.0
498.42215	3.1
518.22424	0.9
532.24243	0.9
550.25232	1.4
560.23718	4.7
561.23309	0.4
588.22687	0.6
606.23706	0.5
620.25952	5.1
638.26947	10.4
639.27863	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	638.2086
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00294	3.8
55.01865	3.8
55.05505	1.6
57.03440	22.8
61.02909	2.3
65.03941	1.6
67.05495	3.5
67.30298	1.3
68.99778	1.5
69.03085	1.7
69.03435	21.0
69.58098	1.4
70.06570	2.1
70.84367	1.9
70.84707	1.8
71.01360	7.9
73.02923	8.2
79.05487	1.9
81.03455	3.5
81.07051	2.7
83.01331	3.0
83.04963	2.5
85.02912	67.5
86.09696	1.6
87.00828	7.3
89.02396	11.7
89.53164	1.4
91.03936	1.5
91.05489	52.4
93.07042	2.7
95.01338	5.5
95.04949	3.4
95.08586	3.3
97.02901	60.3
99.00214	2.2
99.00828	29.5
101.02373	3.3
103.03953	8.5
103.05471	24.2
105.03412	3.8
105.07005	3.9
107.04960	2.0
109.02912	3.4
109.06522	1.8
109.10168	2.3
111.04472	3.3
111.16386	1.4
113.02377	31.7
115.03938	3.8
115.05465	2.2
117.01865	3.4
119.03405	2.5
123.04449	1.6
125.02378	3.0
127.03928	3.0
129.01814	4.0
129.07030	6.5
131.03438	16.9
131.04932	17.2
137.02286	1.6
137.05940	1.5
141.01828	37.4
153.07051	3.5
155.03389	2.6
159.02917	21.3
165.07005	7.4
166.07794	24.4
173.09666	1.7
177.03961	31.2
178.07771	1.9
179.08556	7.6
181.10139	100.0
182.10394	2.3
187.02452	1.6
190.07744	5.2
191.08519	8.4
193.10196	1.9
203.08586	7.5
204.09358	5.3
205.10147	58.5
206.10822	1.7
207.11691	1.7
211.02477	2.6
213.04048	2.4
215.08582	71.3
218.07199	4.0
219.08078	3.8
225.03941	3.8
229.03488	4.8
231.07918	2.4
233.09630	88.4
241.03441	1.8
243.05309	2.3
243.08095	17.0
251.10719	3.1
253.03410	5.2
257.02948	17.3
261.09143	66.4
262.09512	1.9
271.04510	42.4
275.03961	7.3
279.10181	34.7
289.05475	3.2
297.11249	8.0
341.05127	3.6
344.68701	1.5
347.88779	1.4
369.04694	15.7
387.05460	3.4
391.11792	2.8
409.12796	3.2
419.11191	5.6
424.18231	1.6
427.65256	1.4
437.12399	19.4
455.13321	11.1
521.14630	3.8
549.13861	10.2
567.15192	7.8
607.15662	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.3023
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76055	0.7
54.66263	0.8
65.42068	0.6
66.83961	0.7
67.50600	0.9
69.86382	4.0
79.05453	0.8
81.07059	0.8
82.62083	0.6
98.20820	0.9
133.10098	0.7
144.66664	0.8
150.83565	0.8
199.55156	0.8
219.36404	0.7
332.99527	0.8
389.18600	1.0
391.19394	1.7
392.20044	1.6
399.16278	1.0
400.16953	1.8
401.17764	1.0
402.19202	1.3
403.19675	1.0
404.20587	1.3
405.20740	6.0
406.21362	5.5
413.17548	1.2
414.18469	2.3
415.19296	3.8
417.20987	1.4
419.22372	2.2
420.23035	5.9
421.23935	7.8
427.19208	1.5
428.20224	1.9
429.20984	10.9
430.21838	2.8
433.19696	2.0
433.24255	2.8
434.24695	1.2
442.21878	0.9
443.22421	7.2
444.23688	4.2
445.20242	3.4
446.20901	0.9
447.18289	2.6
447.26013	1.2
452.22482	1.3
456.19449	1.3
457.24612	4.6
458.24774	6.5
459.21982	6.9
460.23053	4.4
461.19467	8.0
462.20490	1.3
468.83066	0.9
470.21234	2.1
471.22202	1.4
472.22672	7.7
473.19052	1.2
473.23981	1.6
475.21246	2.8
476.22092	6.5
485.23471	14.0
486.19534	1.3
486.24124	3.1
487.21313	2.8
488.21994	5.2
489.22998	1.5
493.22742	1.0
496.40671	0.9
499.21390	1.4
500.22180	1.6
502.23877	1.8
503.24435	19.2
513.22711	4.0
514.23822	1.8
517.26013	9.3
535.27106	21.9
545.25531	74.3
546.26093	1.6
563.26337	5.1
573.25055	18.2
577.27911	1.9
578.28455	1.8
605.27643	70.6
606.27899	1.9
637.30225	100.0
638.30304	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	637.2661
Annotation	CHEMBL412737
Peak:m/z	Relative Intensity
63.27222	1.8
69.45749	10.6
70.83725	1.8
79.05506	2.6
81.83678	2.3
84.49350	1.8
87.08067	1.7
98.21545	3.4
150.26424	1.8
156.67386	1.9
167.07298	2.1
173.65619	1.8
197.10768	2.3
207.09492	2.2
208.09793	2.2
209.10786	6.5
210.11443	2.7
211.12422	3.2
221.10831	3.9
222.07959	2.5
222.11525	3.0
223.08881	2.3
223.12393	8.4
223.47287	1.9
224.09669	2.0
224.13303	2.5
225.10291	6.5
225.13858	2.9
235.12523	1.8
236.05653	3.4
236.09407	3.8
237.10272	9.3
239.11754	10.5
249.10326	4.1
251.08302	2.1
251.11879	7.9
252.12482	4.1
253.13464	2.0
265.09726	6.4
267.11261	1.8
277.09805	2.3
279.11407	5.6
283.10910	3.5
288.15021	2.4
310.13626	2.6
311.14063	6.5
312.14798	3.5
315.88425	1.8
352.14413	2.4
385.68634	2.2
386.18997	2.2
405.17194	2.4
413.32809	1.8
419.18588	3.4
435.22083	2.9
446.20316	2.7
447.17923	2.7
462.20734	4.1
463.21356	2.6
472.19022	2.1
490.20349	2.3
506.23053	2.1
521.25067	2.8
549.25104	17.8
559.23596	2.3
577.24524	89.4
578.24530	3.3
605.23932	29.1
609.27020	9.8
619.25861	4.0
637.26569	100.0
638.26642	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.3024
Annotation	Unknow
Peak:m/z	Relative Intensity
56.73170	0.5
59.15229	0.6
67.05518	1.1
68.86407	0.5
70.98341	1.6
77.35737	0.5
79.94439	0.5
81.07071	1.2
95.08620	1.0
107.73409	0.5
178.73094	0.6
263.11685	0.7
269.42914	0.6
371.14349	0.7
387.16302	0.7
400.16919	0.7
402.18719	1.0
403.19595	1.0
405.20813	1.1
415.19400	1.8
416.20239	0.7
417.20999	2.4
419.22507	1.8
429.16711	1.0
429.21704	1.0
430.17178	3.1
431.18167	4.0
432.19077	1.0
432.24152	0.8
433.19946	0.9
435.22137	0.6
443.18906	2.0
444.18927	3.0
445.20096	9.3
446.21198	2.1
447.21957	2.1
457.21063	0.9
458.21008	10.3
459.21799	7.6
460.23019	6.6
461.19281	4.1
462.20572	1.0
473.23544	1.0
475.21436	2.2
476.22031	1.4
477.23013	2.4
485.23630	0.8
490.23624	0.9
491.24689	1.6
503.20816	0.8
517.22479	1.7
518.22986	6.1
530.23004	1.1
531.24066	1.1
532.25110	1.2
533.25861	3.1
535.23535	2.2
545.25476	2.5
546.25989	2.8
549.25244	2.0
563.26733	1.0
573.24982	1.0
577.28052	2.7
591.26953	0.8
605.27667	16.1
606.27747	1.3
637.30273	100.0
638.30444	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2666
Annotation	CHEMBL412737
Peak:m/z	Relative Intensity
57.02113	0.5
64.55919	0.4
69.75095	0.5
75.94914	0.5
95.59417	0.4
96.82925	0.5
119.35590	0.5
189.29961	0.4
197.10825	0.6
209.10738	0.8
221.10725	0.5
233.10728	0.6
298.13608	0.6
335.03879	0.5
362.16574	0.5
365.85330	0.5
373.15289	0.5
374.16681	0.7
375.16702	0.6
376.17404	1.0
377.17426	2.1
378.18683	1.3
386.15472	0.9
387.16345	1.3
388.17859	1.1
389.18396	0.5
390.18997	0.8
391.19226	2.0
392.20050	1.3
393.20648	2.5
397.14948	0.4
398.16159	0.6
399.15967	2.7
400.17084	3.1
401.17761	4.6
402.18594	1.2
403.19409	0.9
405.21109	0.8
406.21707	1.1
407.22491	3.8
408.23209	0.5
410.15637	0.6
411.16284	0.6
412.17731	0.7
413.17920	3.7
414.18579	4.6
415.19424	10.8
416.20032	1.6
417.21420	2.2
418.18881	0.7
419.18356	1.0
421.20166	3.1
425.17804	1.4
426.19110	0.6
427.14722	0.6
427.19376	1.7
428.20670	4.0
429.16025	0.9
429.21457	9.2
430.21896	3.2
431.22998	1.0
433.20804	0.7
434.20737	0.6
435.22067	2.4
436.22180	0.5
439.19070	1.0
441.17267	1.5
442.17975	1.6
443.18481	5.0
443.22852	3.9
444.18762	6.4
445.20544	2.3
447.17703	1.1
456.19421	1.7
457.20657	7.0
458.21344	5.2
459.22687	0.9
461.20078	0.8
462.20465	0.9
463.21338	0.6
469.16415	0.8
470.17010	0.5
471.22192	8.8
472.23334	5.3
473.19507	3.8
474.20517	1.5
475.17413	0.7
482.21594	0.7
483.18451	0.7
484.19147	1.4
485.19888	3.3
486.20590	6.6
487.21487	3.0
488.22253	0.8
489.22906	1.7
490.19901	3.7
491.20273	1.0
498.20267	0.6
499.21490	11.3
500.22806	3.9
501.19354	0.7
502.19940	0.6
503.24841	4.7
504.21695	0.6
513.19299	1.5
514.19855	1.1
516.21771	1.2
517.22223	4.0
521.25787	0.7
527.21021	3.8
528.21539	1.4
530.23560	0.5
531.24066	14.5
541.21820	0.6
543.24268	1.6
544.21240	0.6
545.21790	0.6
549.24884	1.3
559.23505	100.0
560.23987	3.3
587.23041	17.7
588.23499	0.9
591.25647	0.7
619.25610	99.6
620.25476	3.0
637.26733	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	637.2666
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14993	0.7
52.59243	0.6
52.67969	0.6
69.85770	1.2
69.86180	2.0
72.56276	0.7
80.44579	0.5
83.08527	0.6
84.26660	0.6
91.05466	0.6
130.61044	0.7
168.08046	0.7
183.09013	0.7
221.10629	0.9
233.10788	0.8
235.12219	0.7
237.27728	0.6
249.10092	0.6
253.09663	0.8
271.12228	0.6
293.71167	0.6
328.14413	0.7
348.14789	0.6
363.16147	1.3
374.16275	0.9
375.16406	1.1
376.16916	1.3
377.17554	3.0
378.18469	1.0
379.19418	0.8
384.14795	0.6
386.15433	1.2
387.16232	1.2
388.17902	1.3
389.17877	1.2
390.18594	2.1
391.19580	4.6
392.19946	3.5
393.20819	5.9
398.16113	0.8
399.16257	1.7
400.17053	3.0
401.17957	4.5
402.18600	0.7
403.19348	1.7
404.20447	0.8
405.16537	1.3
405.20911	2.4
406.21756	1.1
407.22400	8.9
408.22958	0.9
412.17334	1.0
413.17993	3.7
414.18546	5.5
415.19611	8.8
416.20007	1.9
417.20840	1.7
419.18781	2.0
419.23270	1.2
420.19186	1.2
421.20190	7.1
425.17645	1.0
427.19321	2.3
428.19934	2.4
429.16269	1.9
429.21597	7.8
430.21713	2.6
431.18558	1.9
432.19580	0.8
433.15863	1.1
433.20801	1.5
434.21622	0.8
435.21738	7.2
436.22394	1.4
439.19537	1.2
440.16965	0.9
441.17383	1.4
442.17825	1.9
443.17441	3.5
443.22714	3.2
444.18726	4.1
445.20380	4.0
446.21423	0.7
447.18237	3.5
447.22672	1.1
448.18222	1.0
455.19357	0.8
456.19699	1.4
457.20856	4.4
458.21457	4.2
459.18399	2.7
460.18677	1.0
461.19437	3.9
462.20734	1.9
463.21408	2.2
469.17020	1.5
470.17242	1.0
471.22488	8.6
472.23593	4.3
473.19656	6.0
474.20667	3.2
475.21982	1.7
476.18643	1.1
484.18936	2.0
485.20010	4.4
486.20639	5.7
487.22025	3.1
488.22302	1.2
489.18848	2.5
489.23132	3.8
490.19760	5.4
491.21033	2.8
499.21494	12.2
500.21951	2.8
501.18436	0.7
501.23816	1.0
502.20157	1.7
503.20914	2.2
503.24460	2.8
513.19409	7.8
514.19757	1.5
516.21570	2.8
517.22491	16.4
518.22668	1.5
519.20209	1.2
521.25537	2.3
527.20966	3.1
528.21375	1.4
529.22034	1.9
531.24500	14.7
532.22961	0.7
541.22632	1.0
543.23932	0.9
545.21960	2.7
549.25134	8.7
550.25104	1.0
559.23505	84.3
560.24084	1.7
573.21301	1.8
577.24347	4.8
578.25415	1.4
587.23016	15.1
591.26068	5.9
605.24109	7.4
609.27380	1.5
619.25623	74.3
620.25958	2.7
637.26678	100.0
638.26892	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	636.4237
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36713	0.4
53.53564	0.4
57.03434	0.9
57.07082	16.5
58.28097	0.4
58.85246	0.3
59.09909	0.3
62.06094	0.7
65.03938	0.7
67.05508	21.1
69.07072	8.3
69.92970	2.1
71.05006	3.3
71.08637	12.2
79.05489	4.0
81.07059	39.8
82.06615	0.4
82.94012	0.3
83.04984	0.5
83.08626	5.4
85.06548	5.3
85.10188	7.8
86.17608	0.4
91.05498	2.0
93.07050	1.7
95.08613	41.7
96.29271	0.4
97.06545	1.2
97.10185	3.4
98.06075	0.5
99.08083	0.7
99.11684	0.4
105.07059	2.3
107.08580	0.8
109.10168	4.6
119.08588	2.3
121.10153	1.2
123.08052	0.5
123.11727	3.2
137.13255	1.9
147.11699	4.4
155.01024	0.8
165.12769	2.5
183.08382	0.5
183.13860	1.8
201.14896	0.8
208.16966	6.8
208.18785	0.5
211.13887	0.4
226.17989	5.7
239.23640	1.9
257.17542	1.9
267.02411	0.5
282.27982	1.7
306.14670	2.4
310.49332	0.4
313.27356	3.3
313.36490	0.4
324.15744	1.2
362.17194	1.6
380.18436	4.0
495.40469	100.0
496.40869	3.5
581.92883	0.6
618.41302	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	637.177
Annotation	Quercetin 3-(4''-acetylrhamnoside)-7-rhamnoside
Peak:m/z	Relative Intensity
55.05519	2.5
57.03439	0.8
61.02923	0.9
65.42124	0.3
67.01839	0.4
69.03439	39.6
69.78838	1.6
71.01364	1.6
71.05000	4.2
83.04993	11.2
85.02917	5.6
87.04482	0.7
93.07027	0.4
95.04978	0.4
99.04533	0.8
107.68770	0.3
111.00846	0.8
111.04462	11.1
121.02838	0.6
123.04504	0.4
128.07108	0.4
129.05501	21.7
131.04927	0.5
137.02345	2.4
153.01816	2.6
163.03941	0.6
165.01883	1.6
173.74083	0.3
183.02919	0.8
189.07599	6.6
201.05533	1.1
229.05005	2.8
247.06070	0.7
257.04495	2.0
274.04581	0.4
280.51285	0.3
285.03983	1.0
287.05475	0.5
303.05032	100.0
304.05524	1.6
315.13391	1.3
345.05896	0.4
346.96036	0.3
401.21796	0.3
406.43655	0.3
413.08575	0.5
449.10834	5.2
455.11172	0.4
491.11920	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	634.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32758	2.1
53.00303	4.8
53.03944	3.7
55.01871	10.9
55.05502	2.0
57.03438	29.0
59.05003	25.1
64.51458	1.8
64.97644	1.6
65.03938	2.9
69.03432	30.5
70.86593	3.5
71.01355	20.8
71.05004	9.9
73.02924	14.8
79.55418	1.8
81.03431	5.7
83.01337	3.9
83.05009	3.4
85.02909	100.0
87.00837	7.1
87.04463	10.8
89.02399	11.8
91.05483	43.5
95.01314	10.1
95.04960	4.8
97.02898	78.6
97.53215	2.0
99.00831	19.7
99.04456	9.8
101.02399	4.5
103.03973	6.7
103.05476	22.4
107.08668	2.4
109.02905	4.1
111.00790	3.4
111.04462	2.5
113.02372	79.3
115.00283	2.7
115.03918	4.7
123.00802	2.8
123.04450	3.1
125.02354	3.8
127.03930	11.2
129.01875	4.6
129.05490	3.2
129.06992	6.8
131.03406	14.0
131.04927	13.4
139.03932	2.3
141.01823	35.6
145.04967	77.9
153.07022	3.3
155.03391	2.4
159.02908	16.1
165.01866	1.9
165.06998	12.3
166.07809	20.9
167.03435	3.4
167.08537	2.7
168.53368	1.8
171.02966	2.6
177.03966	8.6
178.07799	3.9
179.08604	3.7
181.10135	66.7
183.02910	2.3
187.02452	4.8
190.07811	5.2
191.08580	3.4
193.65590	2.2
198.97765	2.0
202.07819	3.0
203.08560	10.7
204.09308	5.1
205.10141	53.8
211.02461	3.5
213.03929	4.4
215.08569	70.0
218.07291	3.2
225.04047	6.0
229.03520	6.2
233.09631	68.2
243.05064	9.5
243.08109	11.7
251.10548	2.6
253.03539	2.7
257.02921	12.5
261.09103	53.8
261.84003	2.0
271.04510	51.5
275.03961	3.7
279.10168	24.8
289.05524	5.8
293.11722	5.3
297.11252	2.8
303.07156	3.0
327.10464	2.0
341.05087	6.7
369.04422	17.6
387.05585	4.6
391.11697	6.8
419.11240	2.9
437.06714	3.0
437.12091	13.8
549.13934	5.7
567.14728	3.0
619.74274	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	633.4227
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07078	1.1
60.04531	12.1
60.29753	0.5
67.05501	1.7
69.03468	0.6
69.07082	0.9
71.08627	1.3
79.05484	0.8
81.07053	1.4
83.04977	0.6
83.08658	0.7
85.10194	0.8
86.09712	100.0
87.05595	0.5
89.06042	1.1
91.05486	1.2
93.07042	1.4
95.05009	0.6
95.08625	1.1
98.20803	1.4
103.05499	1.2
104.75393	0.5
105.07047	1.8
106.92838	0.5
107.08660	0.5
119.08611	0.6
120.08114	29.1
121.10178	0.9
123.08076	1.1
131.05028	0.7
132.08083	0.7
133.08620	0.9
133.10124	1.0
135.08034	0.7
141.06735	0.4
143.11839	1.1
144.08093	1.0
148.83922	0.5
149.06052	1.0
151.07539	0.9
155.11810	0.6
156.16748	0.5
162.09109	1.0
163.11215	1.0
166.08656	20.5
172.07542	1.5
173.12926	2.3
183.11342	1.3
201.12364	4.6
207.11346	4.9
211.20616	0.8
214.26633	0.5
217.09778	0.9
221.15536	0.5
235.01125	0.5
235.10828	2.1
240.23534	0.5
253.11852	24.9
263.10297	0.6
268.22800	1.6
276.75781	0.6
278.14941	0.5
348.19275	3.0
366.20316	1.2
381.31152	11.2
422.33786	1.3
440.34906	1.0
450.33514	2.4
468.34506	2.0
615.41125	3.6
633.41010	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.3999
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	5.2
55.01873	4.3
55.05522	19.3
57.03440	6.0
57.07063	3.8
59.04993	8.1
62.08666	2.8
65.03928	5.0
67.05511	100.0
69.03441	36.4
69.07078	14.0
71.05007	3.7
74.47356	3.1
79.05498	33.6
81.03432	22.0
81.07057	40.9
83.04991	7.6
83.08640	12.9
85.02921	4.7
91.05479	35.7
91.68907	2.3
93.07053	38.7
95.04963	14.8
95.08617	29.5
97.02879	4.8
97.06540	4.7
97.10181	4.9
97.95564	2.4
105.07027	23.1
107.08603	24.9
109.02945	3.6
109.06519	5.5
109.10164	51.6
111.04488	5.7
111.08080	4.6
117.06995	14.4
119.08599	23.8
121.06519	3.4
121.10143	12.9
123.08051	5.1
123.11671	5.4
125.09614	5.9
127.03951	7.1
129.07018	10.7
131.08578	23.1
133.06519	4.0
133.10156	15.3
135.08112	3.6
135.11726	7.5
137.05948	2.5
137.09627	5.5
143.08612	8.2
145.06477	3.3
145.10175	12.1
147.08142	3.2
147.11705	8.7
155.08578	3.4
155.10722	3.0
156.92546	2.8
157.10126	6.7
159.08081	4.0
159.11748	9.3
161.09706	3.3
161.13316	3.3
163.11203	3.1
165.09082	4.7
169.10139	7.0
171.11681	4.0
173.11760	12.7
173.13284	7.5
175.11197	5.0
183.08138	2.9
185.13275	7.5
187.14772	3.0
189.11263	4.0
189.12823	4.3
197.09654	3.1
197.13295	3.9
199.11235	3.6
199.14809	3.2
207.13829	3.2
209.13261	4.2
209.78670	3.1
221.15460	3.2
229.14304	15.8
246.80273	2.8
259.20486	3.9
277.21680	3.9
292.11002	2.6
301.21451	7.9
307.93661	2.9
315.33957	3.0
327.22852	2.9
335.26559	3.0
341.24893	3.9
351.23126	5.8
353.24875	3.7
361.24509	2.7
369.24374	9.8
387.25208	7.6
443.27988	5.6
461.28836	5.6
597.37952	6.4
615.39227	6.7
633.39978	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	631.4569
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86291	1.0
53.03939	2.0
55.01864	6.0
55.05510	9.3
56.58647	0.9
57.03428	2.7
57.07065	2.0
65.03931	1.3
67.05506	27.8
67.74596	0.9
69.07076	10.4
71.05000	1.1
79.05492	13.2
81.07057	52.2
83.04984	4.0
83.08636	4.6
85.06521	1.8
91.05482	8.0
93.07044	10.7
94.06567	2.2
95.04976	0.9
95.08606	21.0
97.06522	2.4
97.10187	1.6
105.07018	5.4
107.08589	9.5
109.06520	11.2
109.10165	8.5
111.04442	15.7
117.07015	1.4
117.15119	0.9
119.08591	6.4
121.10149	7.8
123.08065	1.4
123.11703	5.2
125.05989	3.9
131.08577	3.2
133.10123	6.5
135.08049	3.1
135.11682	6.3
137.05981	100.0
137.13248	2.5
143.08546	1.9
145.10091	1.4
147.08054	2.0
147.11678	8.3
149.09647	2.7
149.13260	2.9
151.07545	3.9
157.10153	2.2
159.11685	1.1
161.09604	6.5
161.13264	4.6
163.11183	2.9
163.14758	2.6
165.09126	2.7
165.12709	1.5
171.11702	1.7
175.11205	5.9
175.13269	0.9
175.14796	2.5
179.10710	1.3
183.13802	1.0
189.12746	2.0
203.17960	6.1
213.16359	3.0
220.17003	1.5
221.19067	3.1
231.17471	11.3
234.97549	0.9
241.15860	1.8
241.29161	1.0
248.16466	1.5
249.18538	15.6
277.17987	87.8
279.23248	2.4
295.19006	14.7
310.55096	0.9
337.27390	29.1
351.21716	11.6
390.64697	1.0
462.29523	0.9
519.40564	5.1
613.44666	15.9
631.44757	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.2248
Annotation	Chlorophyllide b
Peak:m/z	Relative Intensity
51.61114	0.4
57.25255	0.4
65.43882	0.4
69.77676	2.2
79.51572	0.4
82.08723	0.4
85.50479	0.3
95.63506	0.4
114.00429	0.4
122.38334	0.4
318.53735	0.4
396.12137	1.2
397.13235	2.5
398.13800	1.7
399.14435	1.4
400.15427	0.8
403.13812	0.4
409.13016	1.3
410.13803	4.0
411.14526	8.1
412.15265	5.9
413.16159	5.1
423.15118	2.4
424.10599	1.0
424.16190	3.2
425.16302	18.1
426.17007	10.0
427.17908	3.7
428.18784	3.5
429.19373	0.7
436.15186	0.5
437.16959	0.7
438.12204	3.5
438.17664	1.4
439.13672	23.5
440.19107	8.3
441.19351	40.9
442.19824	2.0
443.17102	0.5
451.13733	0.6
452.14594	5.2
453.15430	25.6
454.15820	5.7
456.17929	1.5
457.15125	0.5
458.15842	0.5
463.14072	1.2
466.16751	0.9
467.17212	29.2
468.17981	22.0
469.18817	13.1
470.19116	0.9
471.16547	1.3
472.17358	1.1
480.17307	0.7
481.14771	10.9
482.15793	2.0
483.16418	1.2
484.21878	4.0
485.16995	2.0
485.23056	0.6
486.18683	0.7
494.18399	0.7
495.16959	2.2
496.17145	13.2
497.17612	1.9
498.19156	2.0
499.20425	2.3
500.20657	4.7
508.18964	0.5
509.18588	1.4
511.19910	0.5
512.21259	2.4
513.22028	6.0
514.22552	0.9
523.19708	1.3
525.21716	0.8
526.18817	0.8
527.19196	0.7
528.19824	1.4
531.22552	0.6
540.16534	0.6
541.20911	47.3
542.21143	2.8
551.19275	0.8
553.20801	0.8
554.17987	0.6
569.20367	100.0
570.20593	4.9
572.19159	1.4
573.23511	3.7
597.19849	31.0
598.20087	1.4
600.22070	1.4
601.23004	13.4
602.22906	1.0
629.22375	72.4
630.22638	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	629.2731
Annotation	Resiniferatoxin
Peak:m/z	Relative Intensity
60.01062	0.5
72.95758	0.5
74.51742	0.4
81.07014	0.5
84.78023	0.5
89.06026	2.4
123.20174	0.5
133.08603	1.0
233.62181	0.5
280.85547	0.5
312.25040	0.6
326.31537	0.5
392.04388	0.6
629.27441	100.0
630.27795	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	629.4414
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.3
55.01867	7.4
55.05515	9.9
57.03431	2.0
57.07072	3.1
59.04993	1.0
65.03936	2.1
67.05507	23.0
69.03417	1.3
69.07067	8.2
69.76315	2.0
69.76698	2.3
71.04993	1.5
71.08621	1.0
79.05494	19.7
81.07057	46.3
83.04971	2.7
83.08618	3.2
85.06548	1.0
89.06020	2.1
91.05481	13.7
93.07050	21.6
95.04975	2.1
95.08615	18.0
95.40239	1.0
97.06525	2.7
98.21477	1.1
105.04488	1.3
105.07029	9.5
107.08598	13.0
109.06521	13.2
109.10173	8.1
111.04458	14.3
111.08067	1.0
113.06025	1.1
117.07034	3.0
117.46995	0.8
119.08584	8.4
119.16560	0.9
121.10146	9.3
123.08124	2.0
123.11697	3.6
125.06010	5.0
129.07037	1.4
131.08589	6.8
133.10129	7.0
135.08067	2.8
135.11694	9.9
137.05981	100.0
137.09541	2.1
137.13229	2.9
138.06308	1.3
143.08560	2.5
145.10144	3.6
147.08060	1.8
147.11678	9.6
149.09637	5.0
149.13271	3.1
151.07571	3.1
151.11111	1.5
157.10143	2.8
159.11720	3.1
161.09641	5.7
161.13260	3.5
163.11171	4.5
163.14809	2.5
165.09160	2.9
165.12703	1.2
171.11691	2.2
173.13301	2.5
175.11165	4.5
175.14894	2.1
177.12715	1.4
179.10663	1.9
185.13208	1.2
189.12689	1.1
193.12213	1.1
203.17963	9.0
213.16385	3.8
221.19063	3.0
221.33064	1.0
231.17424	8.4
241.15884	2.3
241.19614	1.2
243.21277	1.5
249.18495	13.1
251.20262	1.6
259.20578	1.7
261.22144	2.1
277.18024	71.2
277.21515	6.9
279.19592	2.4
295.19025	9.8
333.24191	1.8
335.25824	23.2
351.21759	10.5
517.38684	4.1
537.39838	1.5
611.42889	15.9
629.46075	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.4623
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02394	1.8
52.01204	1.9
53.03940	9.3
55.01874	16.8
55.05514	28.6
57.03444	20.6
57.07074	4.3
58.06591	3.5
65.03937	6.3
67.05511	91.7
69.03424	5.3
69.07072	35.5
79.05501	65.4
81.03416	5.6
81.07063	89.3
83.04977	8.6
83.08649	13.2
83.23176	2.3
85.06548	7.2
89.06046	2.1
91.05488	81.0
93.07050	74.3
95.01335	3.4
95.04985	11.3
95.08614	59.8
97.06536	26.0
97.10178	5.7
99.08112	3.4
103.05453	3.4
105.04523	2.6
105.07040	64.1
107.04960	12.0
107.08606	31.0
109.05843	2.4
109.06506	14.4
109.10167	21.1
111.08083	5.1
115.05434	2.4
117.07018	26.4
119.08593	42.8
121.06495	3.3
121.10146	26.1
123.08057	3.5
123.11710	4.8
124.03006	1.9
125.09613	2.2
129.07022	4.2
131.08582	37.4
131.37491	1.8
133.10149	33.9
135.08051	5.1
135.11710	16.7
137.09651	2.9
143.08571	4.5
145.10126	22.9
147.11717	19.5
149.09601	5.8
149.13290	7.2
151.11189	2.3
155.08577	3.2
157.10136	5.8
159.11703	15.1
161.13266	7.1
163.11211	3.4
163.14775	2.3
165.12836	2.7
169.10130	2.8
171.11638	4.2
173.09564	1.9
173.13274	9.5
175.14822	2.8
177.12715	4.2
179.14340	10.2
183.11682	4.0
185.13319	4.0
187.14735	2.5
197.13310	3.1
201.16411	3.5
203.14355	4.0
219.17465	100.0
239.18053	3.4
257.19080	5.5
261.22055	2.7
263.79092	2.2
275.20071	75.1
293.21094	5.4
335.25851	88.5
349.23727	23.0
609.45221	59.7
627.45917	8.2
627.66821	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	627.3932
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96308	0.8
56.96569	14.6
67.05502	0.8
67.19888	0.6
69.26964	4.2
70.35272	0.6
71.95254	2.2
72.96027	0.6
76.90014	0.5
79.05489	0.6
81.07075	0.9
84.96025	1.5
97.96800	1.6
98.97565	0.7
105.00164	0.7
110.97575	6.4
115.97832	0.9
123.01253	0.6
128.98611	8.0
137.02687	0.8
143.00140	1.7
146.99683	4.3
152.00221	0.7
161.01247	1.6
171.03252	1.3
175.02853	0.7
185.04826	0.9
189.04260	1.0
190.05133	0.7
196.00543	0.6
201.05872	0.6
203.05864	0.7
225.07986	0.6
227.09579	0.9
235.06328	0.9
241.11240	1.2
245.10722	0.9
263.09549	2.7
265.11130	0.7
281.10379	0.7
285.11795	0.6
289.11160	0.8
291.12466	0.8
303.04968	1.4
303.12662	2.3
313.14542	1.0
315.16312	53.6
316.16623	1.0
331.16013	2.8
333.17371	100.0
334.17719	1.9
342.93961	0.6
351.18436	16.9
356.19031	11.9
356.23010	0.4
374.20041	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2817
Annotation	red chlorophyll catabolite
Peak:m/z	Relative Intensity
51.88028	1.1
53.03938	1.1
55.01874	1.8
55.05505	4.3
57.03438	1.6
67.05510	9.0
69.07079	2.9
69.31803	3.4
69.32221	5.7
79.05512	8.0
81.07065	9.7
83.08623	3.0
83.60801	1.2
91.05480	6.6
93.07049	6.6
95.08612	6.4
97.06527	2.0
97.10191	1.7
105.07071	4.4
107.04959	1.5
107.08614	4.9
109.10176	3.5
117.07011	1.7
119.08611	5.1
121.10172	2.6
125.09615	1.8
131.08612	3.7
133.10150	3.5
135.11627	1.5
143.08594	1.3
145.10170	3.4
147.11700	2.8
149.09613	1.3
157.10130	2.8
159.11740	3.2
161.13257	2.4
171.11659	1.8
173.13341	2.1
183.11684	1.6
185.13251	2.5
197.83617	1.2
259.83139	1.4
275.20013	5.5
276.15198	1.5
328.45041	1.2
333.07089	1.1
335.25922	4.0
349.24017	2.9
366.17844	1.2
367.19275	3.6
383.22641	1.4
395.18805	2.7
407.22949	1.3
421.20358	3.4
425.23117	1.2
433.20667	2.0
434.20923	1.8
435.22009	2.2
437.23383	5.3
438.20776	2.8
439.21048	1.8
447.21942	3.5
449.23575	6.6
450.24527	1.8
451.21130	2.1
453.22537	10.3
454.24042	1.9
463.25357	1.3
465.22989	2.1
467.24072	1.9
469.26059	3.3
473.23376	1.4
475.21271	7.5
480.25830	1.7
497.25610	6.8
507.24231	2.7
511.26877	1.8
512.27960	5.2
521.25513	1.8
522.26324	5.0
523.27197	8.0
525.24847	4.6
531.23901	1.5
539.26752	3.0
540.27356	34.2
549.25024	5.7
550.25958	1.5
555.40118	2.3
567.26147	10.1
583.29333	1.7
591.26123	3.7
609.27307	8.2
609.44934	5.9
627.28143	100.0
627.44086	10.5
628.28625	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.1564
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.1
55.01873	0.2
57.03427	0.4
61.02932	4.2
65.03931	0.1
68.99786	0.5
69.03442	1.0
69.84902	0.4
69.85323	0.2
71.04977	0.1
73.02926	0.9
77.97590	0.1
81.03405	0.4
85.02913	4.2
91.03967	2.2
93.03395	0.4
95.04988	0.2
97.02904	2.3
98.20773	0.2
99.04474	0.3
107.04964	0.2
109.02896	0.5
109.40027	0.1
111.00832	0.8
111.04411	0.1
115.03957	0.1
115.05488	0.1
121.02902	1.0
123.04422	0.3
127.03928	0.9
130.16988	0.1
131.04910	0.1
133.06506	0.1
135.04428	0.2
137.02356	3.0
137.03432	0.2
139.03891	0.3
145.04962	0.4
145.06551	0.2
147.04367	0.1
149.02356	0.5
153.01839	3.7
154.02216	0.1
159.04393	0.1
161.06013	0.2
163.03940	0.7
165.01843	1.8
166.02615	0.3
169.01321	0.2
171.04300	0.1
172.72310	0.1
173.06006	0.4
183.02890	0.8
183.04471	0.3
187.03880	0.3
191.03386	0.1
191.07076	0.2
195.02971	0.3
201.05479	1.5
205.04984	0.2
213.05550	0.1
215.03313	0.1
217.05037	0.1
219.02957	0.2
219.06566	0.2
228.04234	0.1
229.05003	3.7
239.03534	0.1
245.04445	0.2
246.05412	0.1
247.06050	0.8
257.04468	3.1
261.03891	0.1
263.83109	0.1
273.03940	0.2
274.04767	0.7
275.05511	0.3
285.03979	1.4
287.05536	0.1
303.05014	100.0
304.05273	1.0
315.04956	0.2
317.90207	0.1
319.04498	1.5
345.06088	0.5
348.36346	0.1
350.58862	0.1
369.06027	0.3
404.88516	0.1
420.36661	0.1
447.09241	0.2
465.10361	7.8
509.66330	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	627.1563
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.3
53.97868	0.1
55.01860	0.3
57.03427	0.7
57.03685	0.1
61.02942	0.8
68.99803	0.4
69.03445	2.4
70.77328	0.3
70.77664	0.3
71.04974	0.2
73.02918	0.3
81.03431	1.1
83.01389	0.2
85.02914	5.9
91.03962	0.3
93.03425	0.3
95.04964	0.2
97.02903	2.2
99.04457	0.3
109.02896	1.0
109.06527	0.2
110.09615	0.2
111.00833	1.0
119.08655	0.2
120.08125	0.4
121.02872	0.8
123.04460	0.3
127.03973	1.2
132.80591	0.1
137.02357	3.0
138.09149	0.5
139.03888	0.2
145.04997	1.1
149.02344	0.5
152.48799	0.2
153.00615	0.2
153.01837	3.4
161.06017	0.3
163.03943	0.5
165.01869	1.7
166.02681	0.2
169.20796	0.1
173.06088	0.3
183.02908	0.8
183.04381	0.2
187.03960	0.3
201.05495	1.4
205.05283	0.2
219.06601	0.3
229.04990	3.9
245.04340	0.2
247.05948	0.7
257.04501	2.4
274.04709	0.7
275.05325	0.2
285.01016	0.2
285.03885	1.1
303.05026	100.0
304.05368	1.2
315.05032	0.2
319.04514	1.9
345.05530	0.2
414.71048	0.2
465.10358	5.4
465.17532	0.4
571.22058	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.1561
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65670	0.2
53.03950	0.2
53.27926	0.2
57.03442	0.5
61.02934	4.1
63.89555	0.2
68.99805	0.5
69.03432	1.0
69.99017	0.8
69.99430	0.4
73.02920	0.9
81.03421	0.6
85.02920	4.4
91.03961	2.2
93.03381	0.3
95.04997	0.2
97.02904	2.3
99.04481	0.2
109.02908	0.5
111.00825	0.7
120.08117	0.4
121.02869	0.8
123.04448	0.3
127.03922	1.1
137.02367	2.5
137.03339	0.4
137.05911	0.2
138.09151	0.8
145.05035	0.5
149.02325	0.4
153.01851	3.4
163.03943	0.7
165.01833	1.8
167.92546	0.2
179.03343	0.2
183.02931	0.9
187.04045	0.3
195.02892	0.2
195.22581	0.2
201.05501	1.5
207.03014	0.2
213.05623	0.2
219.06516	0.3
229.04990	3.5
229.07042	0.3
247.05986	0.5
257.04477	2.3
274.04736	0.6
285.04004	1.3
285.67007	0.2
303.05029	100.0
304.05374	1.1
319.04599	1.6
338.36652	0.2
465.10367	7.9
465.17441	0.4
637.09735	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.1561
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03967	0.2
55.01873	0.6
56.89356	0.2
57.03430	0.6
61.02934	1.6
68.99792	0.5
69.03423	1.9
70.06604	0.5
70.66520	0.3
70.66870	0.5
71.04996	0.3
73.02905	0.4
81.03422	1.1
85.02441	0.5
85.02911	7.6
87.04475	0.3
91.03947	0.8
93.03409	0.3
97.02905	2.6
99.04446	0.3
109.02879	1.0
111.00797	0.8
121.02867	1.1
123.04456	0.4
127.03942	1.6
137.02359	3.1
137.05934	0.3
145.04976	1.9
149.02367	0.6
153.01837	3.2
161.05994	0.4
163.03859	0.7
163.06064	0.4
165.01866	2.2
166.02623	0.3
173.05934	0.4
183.02892	0.9
183.04338	0.3
195.02934	0.3
201.05450	1.6
213.05576	0.3
219.06606	0.4
229.04979	4.5
247.06024	0.8
257.04468	3.0
274.04706	0.9
285.04001	1.4
303.05011	100.0
304.05399	1.3
315.05161	0.3
319.04413	0.4
345.06000	0.6
465.10336	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	626.2456
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45526	0.8
53.03942	1.1
53.74615	0.7
55.01872	2.5
57.03424	1.1
61.02929	1.8
66.76533	1.0
67.05513	1.3
69.03442	6.5
70.21345	0.7
71.51640	0.8
71.52030	1.0
73.02914	1.5
79.05525	1.3
81.03421	4.5
81.07066	1.3
85.02921	14.5
87.00846	6.5
91.05476	3.0
94.04196	1.1
95.04965	0.8
95.19234	0.8
97.02919	5.5
99.04473	2.8
103.05485	7.1
105.01888	4.1
105.07054	1.4
107.04990	0.9
109.02876	4.5
109.06546	1.1
114.91048	1.0
115.03949	1.0
115.05477	1.3
117.01849	0.8
117.07034	3.1
119.04958	2.8
119.08608	1.2
121.06522	2.0
122.03656	2.7
123.08119	1.6
127.03928	8.7
127.66482	0.8
129.07008	1.2
129.39252	0.9
131.04948	16.0
133.06503	1.0
135.08063	1.5
137.05997	37.2
145.04976	3.1
145.06516	1.1
149.05978	1.8
151.03889	2.0
151.07561	15.7
157.06476	1.9
159.02867	2.3
161.05994	5.7
162.06815	1.0
163.07564	42.2
165.07098	1.1
165.09241	1.0
167.07117	2.6
167.08578	1.6
171.08160	0.9
174.06819	1.0
175.07541	5.9
177.09131	100.0
178.09503	0.9
187.07648	1.0
189.09123	5.4
195.08131	1.7
195.10208	3.1
204.76492	0.8
207.08151	1.1
207.10222	2.2
209.08107	1.4
215.07042	1.0
219.10321	1.0
221.05986	1.2
221.09711	1.1
221.11746	16.4
223.07530	1.8
225.09158	1.1
227.10768	3.9
231.05055	1.8
249.08983	1.4
253.08792	2.4
253.12268	2.9
255.10242	4.3
265.08420	1.2
267.10251	1.4
281.11755	1.5
284.10535	1.0
285.11230	2.7
287.05304	0.9
287.12802	7.4
293.11795	2.1
297.11374	2.1
299.12839	2.9
311.12827	6.0
313.14334	5.4
323.12723	0.9
330.28891	0.9
331.15457	25.8
343.15500	8.8
355.15469	2.5
367.15671	2.2
389.13626	1.0
397.16403	1.4
416.14447	0.8
421.16354	3.1
439.17953	1.2
507.16251	0.9
525.17706	1.0
543.18176	1.4
561.19012	1.0
578.89783	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	626.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	2.3
53.03952	7.0
55.01873	0.9
56.45276	0.7
63.91470	0.7
65.02682	1.7
65.03929	1.5
70.85647	0.9
70.86010	2.1
71.33814	0.7
77.03912	1.3
79.05523	1.0
80.05023	2.0
81.07034	0.8
91.05495	2.0
93.07072	1.0
95.04984	6.9
95.08640	0.7
96.04495	2.2
97.02902	1.2
105.03402	100.0
105.04546	4.2
105.07070	1.2
106.03728	0.8
107.08575	1.1
114.93285	0.8
119.08606	0.9
121.02008	1.6
121.02883	33.0
122.02390	2.9
122.89488	0.7
123.03195	2.9
124.03970	28.3
131.08565	1.4
133.06485	0.9
137.09622	1.1
140.03438	80.9
147.08153	1.5
151.15424	0.8
163.03920	3.2
169.10349	0.8
175.07608	2.5
191.08638	1.5
193.08612	2.7
217.12291	2.1
233.27019	0.7
235.09740	2.5
244.06064	8.1
245.11884	2.4
275.12936	0.8
566.20245	2.5
584.21228	2.9
626.22345	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	626.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02384	0.5
53.03947	2.2
54.13317	0.4
56.05026	0.5
57.30395	0.4
65.02683	2.6
66.03461	0.6
69.07046	0.4
69.77949	2.5
78.03460	0.5
81.07079	0.5
91.05463	0.4
94.02924	0.5
95.03734	0.7
95.04966	1.8
95.08582	0.5
96.04525	1.0
105.03392	29.3
105.04536	1.0
117.07025	0.5
119.08613	0.6
120.10810	0.4
122.02424	2.8
123.03184	3.5
123.04459	0.4
124.03966	5.8
125.09705	0.5
133.06563	0.6
133.10103	0.4
135.08073	0.7
137.67580	0.4
140.03427	100.0
141.03677	0.6
147.08096	1.1
159.08099	0.5
163.07539	1.0
165.24246	0.4
167.26770	0.5
175.07535	2.6
185.33948	0.6
191.07036	1.5
193.08585	3.6
199.11148	0.5
203.07098	0.5
209.07983	0.6
215.10736	1.0
217.12213	1.0
218.88420	0.4
225.97581	0.4
227.10713	0.6
231.09976	0.4
232.94904	0.4
233.11722	0.5
235.09682	3.5
244.06071	1.0
245.11700	1.8
251.09166	0.5
261.11124	1.0
493.22211	1.2
566.19800	0.5
584.20856	2.7
626.21527	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	625.3026
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05528	0.5
67.05511	0.7
69.07084	0.6
70.57422	0.8
70.57776	0.8
70.84991	0.3
79.05503	1.1
81.07076	1.1
91.05498	0.5
93.07050	0.8
95.08629	0.5
95.81419	0.4
96.51369	0.3
105.07070	0.5
119.08632	0.4
130.81451	0.3
314.13046	0.5
317.06879	0.5
344.94305	0.4
379.15622	0.8
389.18130	0.4
390.18475	0.5
391.19489	0.6
405.21225	2.0
406.21985	0.9
407.22424	1.1
418.17969	1.6
419.18649	1.4
419.23215	1.1
420.18530	0.6
420.23737	2.6
421.19955	0.6
432.19617	1.5
433.20013	5.4
434.21198	1.4
435.22519	0.9
436.23224	0.4
437.23584	0.9
446.21066	1.7
447.21909	3.9
448.22449	2.0
449.20178	2.5
450.16245	3.3
451.25479	2.8
452.25845	0.7
461.23407	0.8
463.21216	3.7
464.22137	2.4
465.22897	3.5
477.22827	3.1
478.23764	8.3
479.25076	7.4
491.25314	2.4
492.25485	0.7
505.26932	0.4
506.27457	0.5
523.22809	2.3
534.26398	1.0
535.26294	1.0
536.20868	1.6
537.23950	1.9
565.28571	24.1
566.28845	0.8
593.27942	1.0
594.28436	0.6
596.26324	0.7
625.30255	100.0
626.30688	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	625.3024
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	0.9
57.85418	0.6
67.05517	1.4
69.07061	0.9
70.14771	1.9
79.05489	1.2
81.07053	2.4
84.14362	0.6
84.51053	0.7
91.05465	1.0
93.07051	1.5
105.07063	1.5
121.10160	0.9
133.10185	1.0
140.75963	0.6
202.72771	0.9
204.40924	0.7
390.18338	1.4
391.19376	2.3
392.20328	0.8
403.19620	1.0
404.20154	1.9
405.20673	8.6
406.21213	1.2
417.21158	0.9
419.22507	5.3
420.23145	4.5
421.23947	3.6
433.24042	3.0
434.24765	1.4
435.18210	1.1
445.20380	1.0
447.21448	5.1
449.19522	3.6
450.20731	2.4
451.21796	1.0
460.22931	0.8
463.21384	1.9
464.22299	2.9
465.22989	13.8
477.22919	2.8
478.23468	1.5
479.24432	28.4
480.24899	3.4
491.24826	2.5
492.25171	1.6
493.25970	6.6
501.23022	0.9
505.22165	1.0
507.27579	1.3
523.23486	0.9
533.25513	3.0
537.25085	6.3
550.25848	1.7
551.26654	4.3
552.27325	12.9
565.28088	12.8
566.28607	1.0
625.30206	100.0
626.30438	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	625.1835
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.5
56.96567	7.9
57.03440	1.1
61.02922	0.4
69.03446	2.3
71.01351	2.2
71.04985	0.7
73.02913	0.8
77.00906	0.7
81.03425	1.1
82.99894	0.5
84.08133	0.5
84.96039	3.0
85.01394	0.6
85.02912	4.7
87.04465	0.6
94.99894	0.8
97.01410	0.5
97.02893	3.3
98.20794	1.0
98.97588	17.3
100.99155	1.9
101.00886	4.2
103.02441	1.1
109.01465	0.5
110.97571	4.3
112.99143	9.2
113.00867	2.9
113.02355	0.9
115.00710	0.7
115.02457	2.2
116.98635	5.3
117.04009	1.7
119.00134	1.0
119.01938	5.7
123.04338	0.4
124.99090	0.6
125.04567	0.6
127.00616	0.5
127.02392	0.7
127.03931	1.3
128.98608	4.2
129.01826	1.1
129.03993	0.8
131.00206	6.7
131.01901	8.7
131.05579	1.5
133.01753	1.0
133.03470	2.5
134.99663	0.7
135.05043	0.7
137.00842	0.9
140.03419	2.6
140.98581	0.7
141.01820	0.5
141.03955	0.9
142.96397	0.5
143.00195	2.2
143.01891	3.6
143.05533	2.7
144.98122	0.5
145.01711	1.8
145.03471	5.0
145.04932	1.1
146.99637	1.4
147.04344	0.6
149.01225	2.6
149.02977	0.6
149.06584	1.4
152.98538	0.8
153.00444	0.7
155.00111	0.5
155.00542	0.5
155.01912	7.3
155.05569	0.7
156.02663	0.5
156.98141	1.2
157.03502	4.0
158.99667	5.3
159.01009	0.5
159.01494	0.6
159.03297	1.2
159.05042	2.3
161.01256	2.2
161.03056	3.2
161.06613	23.3
162.99040	0.9
163.02779	1.1
167.02055	0.6
167.05589	1.6
168.98065	0.7
169.03535	1.1
169.07124	0.6
170.99690	2.3
171.01418	4.2
171.05016	1.5
173.01257	5.5
173.02991	4.2
173.06615	5.4
174.99261	1.9
175.02824	1.5
175.04546	1.8
177.00751	3.9
177.04347	1.8
178.01082	0.6
179.02171	1.2
179.07675	6.9
180.99788	0.8
181.03523	1.4
181.07111	1.1
183.01498	0.5
183.05023	0.4
185.01398	0.9
185.03020	1.6
185.06610	9.1
186.99182	1.2
187.02798	1.6
187.04558	1.0
187.08170	2.9
189.00731	1.4
189.02493	1.1
189.04472	0.5
189.06091	2.4
191.02280	2.9
191.03928	0.8
191.05698	0.5
193.03848	2.4
193.05559	0.7
195.01398	1.2
195.05174	1.1
196.02272	0.9
196.97600	0.8
197.03044	1.4
197.06621	6.4
198.99155	0.9
199.00911	6.4
199.04597	0.9
199.08173	3.5
200.01878	0.5
201.00749	1.6
201.02466	2.3
201.04137	0.7
201.06216	0.6
202.06902	0.7
202.98692	0.6
203.02293	2.2
203.04045	3.7
203.07660	29.3
204.04100	0.5
204.07933	0.8
205.03746	1.0
209.06612	2.8
211.04768	2.3
211.06572	0.7
211.08296	0.8
213.02539	1.2
213.06081	1.0
213.09787	0.5
214.98721	1.7
215.07666	33.0
216.07819	0.6
217.00229	0.7
217.02025	3.5
217.03819	0.8
217.09215	6.1
219.01772	7.3
219.03561	0.5
219.05223	0.6
221.03331	0.8
221.05054	9.5
223.00938	0.9
225.00618	0.4
225.06026	1.1
227.07631	4.5
227.09541	0.6
228.08209	0.5
229.09242	1.5
231.07191	0.9
232.99783	0.7
233.03368	1.1
235.06671	1.7
235.08798	0.5
237.02788	7.4
237.06096	1.8
238.03076	0.5
239.04338	1.6
239.07680	12.0
241.02002	2.3
241.05600	0.7
243.07213	0.6
245.05147	1.6
245.08691	5.2
247.06818	1.9
253.01978	0.6
253.05640	1.4
255.04446	0.7
255.07161	12.6
256.07245	0.6
257.04901	0.7
257.08792	3.0
261.02786	0.9
261.08459	0.5
263.04135	0.5
265.05676	1.0
269.08777	1.1
271.03177	0.8
271.06192	2.0
273.08115	0.8
275.00787	0.5
275.09821	3.1
277.01907	0.7
279.03778	0.7
281.05411	1.4
283.03442	0.9
283.06659	18.6
284.06857	0.5
287.09808	3.4
293.05505	0.6
295.03174	0.6
297.04770	2.0
301.07736	10.0
303.52597	0.4
305.10837	50.3
306.11038	1.5
312.01892	0.4
321.05121	0.7
321.08313	2.9
323.06400	0.6
323.07928	0.5
323.11920	7.7
325.04059	6.2
327.00467	0.5
333.10550	2.1
337.07748	11.1
337.49551	0.4
339.09579	1.9
343.05130	4.6
345.01202	1.1
347.12024	0.4
349.04453	0.5
353.07593	0.5
355.09143	6.0
365.07590	1.3
383.08578	0.9
387.02390	0.7
399.06821	0.5
445.06259	1.3
445.11887	5.7
447.50150	0.5
449.09583	0.5
463.13010	100.0
464.13235	3.5
465.09387	0.6
593.15588	3.5
625.12012	4.0
626.13721	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1769
Annotation	Isorhamnetin-3-Galactoside-6''-Rhamnoside
Peak:m/z	Relative Intensity
50.34845	0.1
53.03937	0.4
54.50892	0.1
55.01875	0.4
56.35562	0.2
57.03427	0.7
61.02941	1.2
64.50058	0.1
67.38140	0.1
69.03428	2.2
69.97058	0.7
71.04995	0.6
73.02932	0.3
81.03429	1.2
85.02913	7.5
87.04476	0.2
91.03962	0.3
92.02637	0.4
93.03426	0.7
97.02902	2.2
98.20773	0.2
99.04461	0.3
106.34255	0.1
109.02891	0.7
110.85957	0.1
111.00829	0.2
113.19496	0.1
121.02879	0.6
127.03917	1.2
129.05490	0.2
130.94038	0.2
137.02328	0.3
139.03923	0.7
145.04956	0.8
150.03218	0.2
151.03906	0.7
151.04979	0.2
153.01849	4.7
153.75186	0.2
163.03886	0.2
165.01862	0.6
177.05579	0.2
183.02888	0.2
200.04784	0.2
201.05556	0.3
203.03441	0.3
217.05040	0.4
218.05798	0.4
228.04213	0.8
229.05029	2.1
231.02890	0.2
245.04517	0.6
246.05219	1.3
257.04510	2.1
260.03308	0.2
261.07648	0.3
273.03952	1.3
274.04776	3.4
281.13828	0.1
284.03250	0.5
285.03973	3.3
302.04242	10.6
317.06592	100.0
318.06915	2.2
410.75177	0.2
463.12445	4.0
521.37506	0.2
588.53864	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1294
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96568	20.0
60.01172	0.5
61.02903	0.6
69.03424	0.7
69.70505	2.6
71.01357	1.4
71.95249	1.1
76.12090	0.6
81.03415	0.6
84.96039	3.6
85.02892	1.3
85.06520	0.7
87.04444	0.5
89.69723	0.5
92.98466	0.5
93.34796	0.5
97.02875	1.2
97.96831	0.6
98.97593	56.4
100.99156	5.1
101.00851	1.3
110.19453	0.6
110.97586	13.6
112.99143	81.5
115.00740	0.7
116.98637	12.6
119.00184	2.8
124.99114	1.7
127.00700	4.8
128.98616	7.4
131.00183	51.6
131.05521	1.0
133.01788	0.8
133.03517	0.7
134.99670	1.7
139.00711	0.8
140.98610	1.1
143.00159	4.4
144.98122	1.0
145.01743	7.6
145.03503	0.8
146.99623	1.5
149.01233	11.0
151.56860	0.6
152.98625	1.3
155.00156	1.1
155.01938	1.1
156.98058	0.7
157.01753	2.0
157.03482	0.9
158.99667	18.2
161.01259	3.3
161.02509	0.4
161.06633	2.2
162.99159	0.8
163.02798	2.4
170.99654	4.8
173.01244	40.9
173.06604	1.0
174.99191	0.9
175.02795	11.2
177.00743	5.9
179.02293	1.3
182.99702	0.9
185.01210	0.8
185.06671	1.0
187.02802	7.9
187.08212	0.6
189.00722	2.5
191.02292	17.8
193.03865	24.9
197.01259	0.7
197.03200	0.7
199.01027	0.7
199.02846	1.8
201.00694	8.6
203.02295	1.3
203.03961	1.1
203.07668	2.9
205.00388	0.6
205.03876	4.1
209.01286	1.8
211.04921	8.1
214.98741	0.6
215.02341	1.2
215.07747	3.1
217.03810	2.7
219.01788	37.3
220.02217	0.8
221.03326	2.1
221.05171	2.3
224.99525	0.7
231.01894	0.6
233.03334	8.7
235.04802	3.5
237.02844	28.9
239.04474	2.1
239.07588	0.9
241.04068	0.7
242.75264	0.5
245.05223	0.7
247.04962	1.4
249.06467	1.0
261.02924	1.3
263.04333	4.8
265.02295	1.0
271.05014	0.9
275.04376	7.1
277.06009	2.3
279.03943	1.1
281.05457	8.8
281.08218	0.7
283.06592	0.8
287.09637	1.3
289.05908	1.7
293.05371	6.1
305.10825	8.6
307.06927	1.6
309.08569	1.7
319.07077	1.6
321.10120	1.2
323.11945	0.7
335.06531	1.6
337.08063	100.0
338.08377	1.0
351.06302	0.8
355.09146	50.8
365.07617	6.6
383.08609	5.6
395.08505	0.6
437.09927	1.4
445.11896	1.2
449.09714	2.4
463.13080	3.3
465.09158	5.0
467.11340	0.6
485.11990	0.6
495.09793	0.7
505.06979	0.9
535.09320	0.8
555.12445	0.8
565.18036	1.6
593.15186	1.9
625.12811	37.5
626.12793	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.3428
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	6.6
55.01870	5.5
55.05519	17.3
57.03428	8.9
57.22602	1.9
61.02925	27.2
65.03938	2.3
67.05179	3.5
67.05513	41.2
69.03423	9.3
69.07070	12.1
70.69020	4.3
71.04982	6.7
73.02911	7.8
79.05497	37.4
81.03423	12.8
81.07066	40.2
83.04997	7.0
83.08636	13.0
85.02911	21.5
85.06551	4.5
86.09689	2.1
91.03973	12.1
91.05486	45.2
93.07043	31.5
95.04987	9.4
95.08613	19.3
97.02900	13.8
97.06529	6.9
97.10167	5.0
99.04517	2.5
99.08088	2.3
103.05489	5.0
105.03364	3.1
105.07030	34.6
107.04967	7.4
107.08619	13.5
109.06538	4.5
109.10172	10.6
111.04484	3.3
111.08043	3.0
115.05457	5.4
117.07041	29.2
119.04971	2.1
119.08606	21.2
121.06452	9.4
121.10186	10.4
123.08064	5.2
125.09660	3.2
127.03975	3.5
128.06210	6.6
129.07010	36.7
131.04895	3.2
131.08583	36.3
133.06526	5.8
133.10153	13.3
135.08119	4.7
135.11690	7.5
137.09639	2.6
141.06984	14.5
142.07811	3.0
143.08574	30.0
145.06502	9.1
145.10106	21.1
147.08040	7.3
147.11681	6.8
149.09616	6.3
151.11182	1.9
153.07060	3.6
155.08577	23.3
157.10165	15.6
159.08070	5.4
159.11707	10.4
161.09589	5.7
163.11168	4.6
165.07050	3.6
166.38060	1.9
167.08542	9.6
169.10158	15.7
171.08055	3.7
171.11668	11.5
173.09641	3.2
173.13300	3.5
175.11165	4.7
177.12796	2.6
179.08582	3.7
181.10066	11.7
183.11644	9.5
185.09607	2.8
185.13300	8.8
187.11192	1.9
187.14767	2.9
192.00694	1.9
193.10147	5.5
193.12245	3.2
195.11708	14.3
197.09552	2.0
197.13263	6.1
199.14778	3.7
201.12831	3.1
203.14297	3.0
207.11674	6.4
209.13237	7.3
211.11241	2.1
211.13106	2.8
211.14874	3.7
215.14363	3.8
217.15865	2.0
221.13245	8.4
221.15167	1.9
223.14838	8.1
225.12857	2.7
225.16483	3.2
235.14838	3.9
239.14352	3.6
250.82491	2.1
257.15454	2.5
271.17020	5.1
305.22629	2.8
323.23721	5.7
333.22113	11.8
341.24750	7.0
351.23169	39.5
362.58289	2.3
369.24265	34.2
379.54434	2.3
387.25406	18.0
410.86328	2.5
425.26855	5.9
428.71936	2.2
443.27975	100.0
444.28162	2.7
461.29028	54.1
485.28598	2.4
623.33948	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	623.2869
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71031	0.3
67.05495	0.3
71.17001	0.5
79.05479	0.5
81.07050	0.5
86.57225	0.3
89.35609	0.3
91.05478	0.3
106.06598	0.4
107.08601	0.3
120.08097	0.4
139.57845	0.3
145.56366	0.3
183.09326	0.5
209.10825	0.4
221.10826	0.3
225.10442	0.6
225.13902	0.5
237.10350	0.4
237.13971	0.4
249.10451	0.5
298.13715	0.3
312.11298	0.3
354.16254	0.3
375.16144	0.8
376.17261	0.5
377.17752	0.6
388.17017	0.5
389.13599	0.4
389.18051	0.9
390.18552	0.8
391.19296	2.2
393.20825	0.6
401.17593	0.5
402.18646	0.5
403.14767	0.4
403.19913	1.4
404.15530	0.4
404.20020	1.1
405.21292	2.3
406.21597	1.2
407.22369	1.0
412.16913	0.4
414.18527	0.4
415.19614	0.4
416.20313	0.5
417.16418	2.0
418.17874	1.1
419.17743	2.5
419.22635	1.6
420.18875	0.4
420.23654	0.4
421.24310	1.9
429.16718	0.7
430.17636	0.4
431.18362	1.2
431.22592	1.5
432.19244	1.9
433.20142	4.3
434.20941	1.2
435.21661	1.8
443.18817	0.9
444.19595	0.7
445.20123	2.7
446.21002	1.1
446.44632	0.4
447.22687	3.7
448.22910	1.6
449.23422	5.3
450.24542	0.4
457.20117	0.5
458.20923	1.4
459.22055	2.7
460.22800	0.7
461.18939	2.4
462.19681	1.4
463.21173	1.9
465.23007	0.4
475.20612	2.1
476.22095	5.6
477.23004	4.8
489.23291	2.4
490.24255	0.7
493.22443	0.4
503.24231	1.3
505.22345	0.6
507.26984	0.4
519.23785	2.0
521.20966	1.6
531.24158	0.5
533.25635	3.0
535.27460	4.1
545.25745	1.4
548.24390	0.5
563.26514	19.9
564.26746	0.9
579.25793	0.5
591.25873	1.2
593.26813	0.5
595.28931	1.1
605.27576	2.4
606.28552	1.3
623.28650	100.0
624.28943	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	623.2865
Annotation	Unknow
Peak:m/z	Relative Intensity
62.04894	0.2
67.05492	0.4
74.11133	0.3
78.66341	0.2
79.05507	0.4
85.59743	0.2
91.05498	0.4
93.07075	0.3
95.08626	0.3
98.20775	0.5
99.33150	0.2
102.94091	0.2
195.09084	0.3
208.10048	0.3
209.10771	0.4
229.52513	0.3
263.72449	0.3
298.13535	0.3
321.12408	0.3
374.15445	0.5
375.16144	0.9
387.16147	0.5
388.17123	0.7
389.17661	3.9
390.18286	1.8
391.19287	3.8
392.19824	0.3
401.17685	0.8
402.18622	0.6
403.19489	3.1
404.20020	1.6
405.15775	0.5
405.20828	10.2
406.21603	1.4
415.19711	0.6
416.20239	0.8
417.16513	6.5
418.17587	3.5
419.18420	4.1
429.21234	0.5
430.18018	0.5
431.18219	6.4
431.23584	0.5
432.19421	9.1
433.20233	9.9
434.21170	0.6
443.18903	0.6
445.20370	3.9
446.21204	1.0
447.22229	0.4
449.23895	1.3
450.24429	0.3
458.20776	0.5
459.21951	2.3
461.19519	2.3
462.20306	1.5
463.21039	2.0
464.22086	0.7
471.20667	0.3
473.19543	0.4
475.21365	1.9
476.22083	4.6
477.23608	4.6
478.23700	0.9
487.21268	0.5
489.23306	1.3
491.25098	1.5
503.24570	0.8
504.21249	0.4
505.22418	0.5
519.23950	22.0
520.24640	1.0
521.21765	1.3
531.24292	0.4
535.27258	0.6
545.25769	0.5
547.23822	0.4
548.23877	0.3
551.26733	0.5
563.26544	15.5
564.26764	0.5
579.26001	5.7
591.26483	0.6
605.28021	0.6
623.28674	100.0
624.29028	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	623.2866
Annotation	Unknow
Peak:m/z	Relative Intensity
59.50106	0.5
67.05519	1.1
69.07071	0.6
69.27991	4.7
79.05489	1.3
81.07067	1.0
91.05458	1.2
93.07040	0.9
95.08602	1.1
117.07030	0.5
121.06493	0.7
289.18283	0.6
356.30966	0.5
391.19284	1.8
392.20099	0.8
395.92294	0.5
403.19235	0.6
404.15872	0.7
405.16541	1.2
405.20935	2.2
406.21368	2.4
407.22342	1.7
417.21225	0.9
418.17822	2.4
419.18130	4.3
420.23523	4.5
421.23825	3.5
432.19614	1.7
433.20108	7.6
434.20724	3.0
435.21921	0.7
446.20914	1.0
447.22391	5.3
448.23026	4.1
449.23828	2.8
449.28842	0.6
462.20599	1.2
463.21161	2.6
475.21274	1.9
476.21918	5.8
477.22891	7.4
489.22641	2.4
503.24173	1.0
505.22473	0.7
507.27478	1.0
521.21832	1.5
534.26599	3.1
535.26898	3.8
563.26605	25.1
564.26837	0.9
565.24396	0.9
579.25775	0.7
591.26190	1.0
594.28339	1.1
595.28943	1.1
623.28632	100.0
624.28662	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	623.2867
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05510	0.8
77.81028	0.3
79.05502	0.8
81.03411	1.5
81.07068	0.6
86.31287	0.3
91.05489	1.1
93.07055	0.6
95.24345	0.3
98.20765	1.1
99.04574	0.3
105.07047	0.8
107.04987	0.4
107.08607	0.4
114.33880	0.3
119.08658	0.4
120.31586	0.3
131.08621	0.3
195.09254	1.4
196.10033	0.5
197.10753	1.2
199.08719	0.3
207.09227	0.4
208.09933	0.8
209.10728	2.7
210.11557	1.2
211.08704	0.8
211.12302	2.6
221.10625	0.8
222.11487	0.6
223.08696	1.2
223.12306	3.8
224.09525	0.6
224.13101	3.5
225.10210	0.9
225.13951	1.2
226.14662	0.5
229.43253	0.3
235.08737	0.8
236.09538	0.9
237.10280	2.1
237.13853	3.5
238.14563	0.8
239.15550	1.3
240.16296	0.4
247.12354	0.7
248.13020	0.5
249.10364	1.0
250.11075	1.0
251.11862	0.6
251.54729	0.4
252.12584	0.7
253.13519	0.5
261.14075	0.4
265.09732	0.8
265.13458	2.0
266.14124	0.4
267.15088	0.7
275.15671	0.4
277.09769	0.9
279.11417	1.1
287.82587	0.4
296.11673	1.0
297.16275	0.4
309.12631	0.4
311.13904	2.6
312.15170	0.5
314.16534	0.4
337.11960	0.9
377.17648	0.5
389.17862	0.7
390.18158	0.5
391.19308	0.8
392.20090	0.5
398.18506	0.5
401.17789	0.4
403.15100	0.5
403.19574	1.0
404.20007	0.5
405.20935	1.3
407.22528	0.4
415.19333	0.5
416.20377	0.4
417.17004	1.0
417.21378	0.9
418.18121	1.3
419.18610	1.2
419.23111	0.8
420.19250	0.6
428.18918	0.3
430.17676	0.5
431.18774	1.4
432.19565	0.7
433.20404	2.9
434.20868	0.5
435.21906	0.7
443.18799	1.3
444.19809	0.8
445.20383	2.6
446.21146	1.1
447.17294	0.7
447.22952	1.8
448.23212	0.9
449.23911	1.7
459.22235	0.8
461.19977	1.6
462.20529	1.1
463.21384	1.2
475.21530	1.8
476.21973	4.6
477.23013	4.0
488.22305	0.5
489.22900	1.4
490.23877	0.6
499.22189	0.6
503.24142	1.1
505.22205	0.5
517.22412	0.5
519.24780	0.5
520.24829	0.8
521.22107	1.1
531.23370	0.5
533.26147	1.8
534.22607	0.6
535.26807	2.9
545.22278	1.3
546.23151	0.4
548.24182	2.4
549.25098	0.7
563.26538	28.2
564.26929	1.3
573.21436	0.5
591.26062	5.6
595.29126	1.9
605.23669	1.7
623.28668	100.0
624.29010	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2869
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34014	0.4
58.92111	0.3
77.19255	0.3
79.05495	0.5
81.07060	0.3
98.20724	0.8
131.08551	0.4
156.97589	0.4
157.56062	0.4
211.12238	0.4
229.56731	0.5
230.94398	0.4
321.03101	0.3
330.75571	0.3
376.17294	0.5
378.20102	0.4
389.17682	1.3
390.18607	0.7
391.19482	0.8
401.17828	0.9
402.18726	1.2
403.19336	2.1
403.43082	0.3
404.20151	1.3
405.20972	1.2
415.19260	1.6
416.15833	0.5
416.20520	0.8
417.16910	1.3
417.21887	1.7
418.22046	0.7
419.22604	5.1
420.23779	0.4
429.17010	1.1
430.17679	1.1
431.18671	2.8
431.22818	2.4
432.19434	1.8
433.20142	1.9
443.18439	3.2
444.19507	1.1
445.20117	9.0
446.20984	4.8
447.22217	4.7
449.23578	1.6
450.23682	0.5
457.20520	1.3
458.21164	1.3
459.22040	3.4
460.22897	0.7
461.19867	1.5
462.20700	1.5
463.21515	2.9
473.23297	0.5
475.21234	1.7
476.22131	5.4
477.22977	6.5
478.23611	0.4
489.23346	2.1
490.23639	0.8
491.20517	0.6
493.23880	0.4
505.22528	0.7
521.21960	1.4
533.25543	14.7
534.25836	0.5
535.23138	0.5
535.27435	0.4
545.25323	0.7
549.24921	0.4
563.26660	17.6
564.26636	0.7
590.25500	0.5
591.25964	0.5
592.26904	0.8
593.27533	3.9
605.27496	1.3
623.28711	100.0
624.29126	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2868
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22060	0.4
59.04995	3.6
60.41716	0.4
67.05493	0.6
69.56149	2.5
73.09377	0.6
79.05495	1.0
87.92603	0.5
93.07066	0.6
98.21491	0.9
101.36648	0.5
105.07021	0.5
110.76480	0.5
116.84621	0.5
156.10876	0.5
213.10727	0.5
222.69493	0.5
240.34813	0.5
257.43649	0.5
375.15845	0.6
376.17160	0.8
389.18344	0.6
390.18445	1.4
391.19293	1.9
401.17520	0.7
404.20432	1.1
405.20685	2.3
407.22348	0.6
415.19238	1.1
418.17593	1.1
419.18558	1.8
419.23306	0.6
420.23212	1.7
421.23828	0.9
427.19104	0.8
429.20837	2.1
430.22009	0.7
431.18237	0.8
433.20050	3.8
435.21875	0.9
443.22687	1.2
444.23145	1.5
445.19699	0.8
446.17184	0.9
447.17749	7.4
448.23016	3.2
449.23260	2.5
452.22208	0.7
456.19531	0.6
458.24527	0.9
459.21860	3.7
460.22568	1.6
461.19241	7.7
462.20303	1.1
463.21136	1.2
471.21448	0.6
472.22552	1.6
473.23590	1.5
474.24292	0.7
475.21075	1.0
476.22040	18.9
477.22635	3.6
479.21143	1.3
485.23294	2.3
487.25040	1.8
489.19656	0.7
503.24426	1.1
517.26086	1.4
519.24133	1.1
531.23938	2.1
535.26105	1.4
545.17255	1.1
545.25519	16.9
546.25842	0.9
547.26343	0.5
563.26355	12.7
591.26605	0.7
605.27521	2.0
623.28571	100.0
624.28729	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2867
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04998	0.6
60.82853	0.3
65.02670	0.3
69.19695	0.5
69.20097	3.1
73.08068	0.3
77.91962	0.4
89.68213	0.3
111.08006	0.3
227.65048	0.3
263.23746	0.4
301.62900	0.3
386.16089	0.4
389.17783	0.9
391.19287	1.3
393.20776	0.4
399.16574	0.5
401.17831	0.6
402.18649	1.0
403.19272	1.5
404.20187	0.6
405.21051	1.8
406.21280	0.7
407.22455	0.7
413.17896	0.4
413.76758	0.3
414.19159	0.4
415.19269	1.3
416.20184	1.0
417.16833	1.3
417.21851	1.6
418.17798	1.0
419.17795	0.6
419.23007	2.2
420.23041	1.2
429.16525	0.5
429.21530	0.9
430.17926	1.5
430.22556	0.6
431.17715	2.8
431.23135	1.2
432.19403	1.1
432.23972	0.6
433.20111	4.5
434.20560	0.7
435.21783	0.5
443.18692	1.4
443.23456	0.5
444.18924	1.6
445.19769	4.4
446.20956	3.0
447.21945	4.6
448.22461	1.5
449.23325	1.1
457.20328	0.8
458.20981	5.7
459.21762	4.4
460.22867	3.1
461.19623	0.7
462.20337	0.4
463.21283	1.8
472.22739	0.7
473.23465	1.8
475.21558	1.2
476.22113	1.0
477.22745	2.2
485.23831	0.6
489.22897	0.7
501.22943	0.5
503.20734	0.4
503.24826	0.5
504.25421	0.4
505.22617	1.4
505.27399	0.3
517.22894	1.1
518.22980	3.2
519.23932	0.6
521.22424	0.6
530.23035	0.4
531.23248	0.8
532.24799	1.1
533.25568	6.7
534.26367	0.4
535.26984	1.9
545.25427	4.5
546.26520	0.6
562.25403	0.5
563.26538	8.3
564.27081	0.6
573.25079	0.9
577.28107	0.7
591.26263	0.7
605.27649	8.1
623.28619	100.0
624.28949	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	623.2867
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05013	0.7
64.14538	0.3
64.99626	0.2
70.07770	0.5
70.08170	0.5
214.68903	0.2
361.14459	0.3
364.18372	0.3
375.16266	0.6
376.17078	0.8
377.17743	0.4
388.17746	0.4
389.13852	0.3
389.18173	0.7
390.18497	1.4
391.19376	1.8
392.20346	0.5
393.21469	0.4
401.17850	0.5
402.19073	0.3
403.15085	0.4
403.19592	0.6
404.16251	0.6
404.20782	0.3
405.20923	3.2
407.22913	0.3
413.18463	0.3
414.18475	0.4
415.19260	1.3
416.20193	0.9
417.21063	0.9
418.17545	0.6
419.18607	1.2
419.22681	1.0
420.23694	1.3
421.19635	0.4
421.24002	0.8
427.19510	0.6
428.19955	0.7
429.21198	2.7
430.21567	1.0
431.22864	0.5
432.15601	0.5
433.19775	3.5
434.20984	0.3
435.22034	1.0
437.85953	0.3
443.22803	1.8
444.24020	1.4
445.24020	1.1
446.17575	0.8
447.17969	9.1
448.22955	3.2
449.23544	2.9
452.22290	0.8
457.24451	0.5
458.24759	1.0
459.21332	3.2
460.22656	1.9
461.19449	9.0
462.20825	0.7
463.21402	1.6
471.22162	0.7
472.22632	2.2
473.23679	1.8
475.21408	1.6
476.22134	23.7
477.22787	3.9
479.20837	1.4
485.23492	2.6
486.24185	0.9
487.25153	3.0
488.22449	0.4
489.18686	1.5
491.24924	0.4
503.25055	1.7
507.27805	0.3
508.25153	0.4
513.23254	0.3
517.26422	1.4
518.23096	0.4
519.23779	2.1
521.21759	0.7
531.23901	3.4
532.24969	0.4
535.24347	0.5
545.25598	12.4
546.26135	1.0
547.26978	0.9
555.36646	0.3
563.26556	8.8
563.35394	0.5
564.26855	0.6
573.25269	0.3
591.26056	0.9
595.28131	0.3
605.27765	2.8
623.28717	100.0
624.29156	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2867
Annotation	Unknow
Peak:m/z	Relative Intensity
57.60078	0.4
59.04977	0.7
67.79517	0.5
70.08813	1.9
88.04362	0.4
96.97662	0.4
99.69115	0.4
105.47664	0.3
111.21941	0.4
151.97757	0.4
273.08060	0.3
275.08578	0.4
335.87061	0.5
349.79202	0.3
389.17786	0.5
390.18243	0.4
391.19199	0.7
401.17664	0.8
402.18640	0.6
403.19299	0.8
404.20184	0.8
405.20721	0.9
406.21225	0.5
413.17697	1.1
414.18417	1.2
415.19324	2.4
416.20291	0.7
418.17450	0.6
419.17752	0.8
419.22632	0.8
427.19391	0.8
428.20303	1.8
429.20911	6.7
430.21466	1.4
431.17853	1.7
432.18973	0.9
433.24777	2.0
434.20563	0.5
442.21777	1.1
443.22543	3.8
444.23782	2.8
445.19312	0.7
445.24033	1.9
446.20956	0.5
447.21753	1.5
448.22296	0.7
449.22861	1.1
456.19189	0.5
457.19238	0.6
457.24161	1.3
458.25153	3.3
459.21783	3.9
460.22934	2.2
461.19186	1.5
461.23651	2.1
462.20386	2.4
470.21140	1.0
471.21948	1.1
472.22748	4.0
473.23816	3.5
474.19321	0.6
474.24747	0.5
475.21286	1.4
476.21973	2.4
477.22733	3.9
485.23358	7.3
485.29794	0.7
486.24173	1.9
487.25195	4.5
489.22726	1.6
500.22354	0.4
502.24054	0.5
503.24353	3.6
504.25122	0.6
513.22827	0.5
516.21533	0.5
517.26093	3.8
519.23529	1.5
520.24634	0.9
521.21667	0.6
531.23993	5.0
532.24622	0.7
535.25397	1.1
545.25531	52.3
546.25562	1.9
562.24969	0.7
563.26263	14.4
577.28485	0.7
591.26190	0.8
595.29004	0.5
605.27521	4.8
623.28601	100.0
624.29034	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	623.287
Annotation	Unknow
Peak:m/z	Relative Intensity
64.44442	0.6
69.51402	0.6
71.12582	1.3
77.09325	0.6
103.02594	0.6
115.09222	0.5
206.63596	0.6
209.10635	0.7
210.11479	0.9
235.12222	0.8
376.16879	0.7
377.17715	1.5
377.38495	0.6
379.08630	0.7
388.18103	1.5
389.17944	1.3
390.18735	2.1
391.19229	3.7
392.19937	3.5
393.20691	2.1
399.16290	0.9
400.16965	1.9
401.17761	2.7
402.18710	0.7
403.19534	1.8
404.15848	0.8
404.20602	1.3
405.20920	5.4
406.21552	5.1
407.22391	14.1
412.17661	0.8
413.17694	2.4
414.18747	2.8
415.19275	6.0
416.20441	1.4
417.21082	1.6
419.22366	2.0
420.22958	2.7
421.24008	12.3
422.24747	2.9
427.19302	2.1
428.20114	3.1
429.20886	11.9
430.21783	2.4
431.18140	1.3
431.23184	1.0
432.19205	0.9
433.23935	2.6
434.25015	0.8
435.21411	0.9
442.21402	1.4
443.22873	7.2
444.23529	5.2
445.19861	3.4
447.17371	1.2
447.22467	1.0
449.23056	1.8
452.22083	1.0
455.18619	1.3
456.19415	2.1
457.24902	4.4
458.25186	7.1
459.22046	8.6
460.22415	2.6
461.18918	5.7
462.20529	2.4
463.21283	1.7
470.20981	1.8
471.21921	1.9
472.22717	10.2
473.24350	3.1
474.20450	1.1
475.21231	7.8
476.21722	5.2
477.22543	3.6
483.17957	0.9
484.19211	1.2
485.23587	16.8
486.20291	2.4
486.24280	4.0
487.20847	1.9
488.22165	1.7
489.22702	3.4
493.25885	0.9
499.21481	5.1
500.22089	2.2
502.23526	1.3
503.24539	8.8
504.24899	1.3
506.22437	0.7
508.28473	0.8
513.22833	4.5
514.23413	2.2
515.24536	1.4
517.26318	9.0
529.26086	2.1
530.23230	1.1
531.24158	1.0
535.27368	7.0
545.25568	98.3
546.25897	3.4
564.27356	1.5
573.25079	23.3
574.25775	1.0
591.26031	2.3
605.27649	100.0
606.28143	3.4
623.28711	91.8
624.29041	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2508
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	1.3
66.21616	1.0
67.05501	1.5
72.67580	1.0
75.54092	1.0
76.64791	1.1
79.05481	1.4
81.03410	2.2
81.07047	2.0
93.07043	1.4
93.73135	1.2
105.07016	1.0
110.91312	1.1
116.37842	1.0
116.94224	1.0
174.24513	1.0
233.10736	1.1
321.12973	1.1
331.94525	1.1
377.17444	1.5
389.17505	1.9
391.19174	3.6
392.19699	1.4
393.20490	3.0
400.16788	1.4
401.17606	2.2
402.18750	1.4
404.04498	1.1
405.16379	1.4
405.20831	3.1
406.21042	1.5
407.22198	4.8
413.17447	2.4
414.18604	1.6
415.19333	3.0
417.21198	1.5
421.19992	2.7
428.20596	1.5
431.18185	2.1
434.20831	1.2
435.22162	2.5
443.22934	1.9
444.19641	1.7
445.20322	2.5
447.18127	5.0
458.20856	2.9
459.17920	2.0
461.19727	3.0
462.20483	3.2
463.21146	2.6
471.22397	6.9
473.19601	3.4
474.20309	2.8
475.16272	1.7
475.22049	2.2
476.19327	1.3
483.21860	1.3
485.19595	2.4
486.19968	1.8
487.20908	1.2
489.22433	6.0
490.19769	4.3
491.20557	4.4
499.15503	1.2
499.21515	10.9
500.18579	1.7
501.22745	4.7
503.20523	4.6
513.18933	3.8
514.19775	2.3
517.22455	13.5
527.20734	1.9
529.22455	7.3
531.20044	3.2
535.23273	3.7
545.21887	26.6
555.20215	1.3
563.24500	3.4
564.23199	2.4
573.21368	10.3
577.24280	4.1
591.22485	4.5
595.25543	1.5
605.24036	46.6
623.25000	100.0
624.25061	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2834
Annotation	Unknow
Peak:m/z	Relative Intensity
55.44944	0.4
61.65245	0.5
65.59863	0.4
70.58973	0.4
72.02132	0.4
80.47602	0.5
98.20747	1.0
98.21429	1.4
120.08096	0.5
143.57565	0.5
145.13287	0.5
197.12456	0.4
211.12198	0.6
225.13777	0.6
237.13881	0.6
319.12012	0.4
372.17004	0.5
377.17816	1.0
378.18466	0.6
389.12891	0.5
389.17801	0.6
390.18347	0.6
391.19391	1.9
392.20004	1.4
393.20840	0.5
404.15805	0.6
405.20660	1.9
406.21790	2.1
407.22382	5.4
415.20203	0.6
417.21301	0.5
418.17920	0.7
419.18503	1.7
419.23080	0.7
420.18820	0.8
420.23599	0.7
421.23993	4.0
431.22659	0.6
433.20432	0.9
434.20807	0.9
435.21860	6.0
438.20456	0.6
446.16757	0.9
447.18048	2.3
448.18460	1.9
448.23187	1.1
449.23788	3.9
460.18079	0.6
461.19125	2.7
462.20200	3.9
463.21307	10.1
473.23553	0.8
475.21088	2.2
476.21710	7.6
477.22836	11.9
478.23547	2.3
487.24994	0.7
489.22855	1.1
490.23456	0.8
503.24344	1.2
504.21133	1.4
515.24658	0.5
521.21265	0.6
534.22205	0.7
535.23956	3.4
536.23627	4.5
537.24658	1.1
545.25598	1.6
547.27063	2.5
548.23895	1.1
549.25031	4.3
550.25732	2.8
563.26398	8.0
564.27155	11.2
576.23090	0.6
579.29645	0.9
580.26306	0.6
591.25879	7.1
594.24323	2.3
595.29047	2.5
605.27710	2.7
606.28143	1.0
608.25928	2.2
623.28516	100.0
624.28851	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2505
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	1.9
67.05497	5.1
76.92072	0.9
79.05476	3.7
81.03423	8.4
81.07076	4.7
83.08600	1.1
91.05480	3.5
93.07038	3.4
95.04980	1.8
95.08593	3.1
105.07042	4.4
107.08603	1.7
109.10172	1.8
115.05440	2.2
117.07025	2.1
121.10150	1.5
131.08519	1.4
133.10130	2.2
143.08530	1.1
145.06442	1.2
145.10037	1.3
157.10066	0.9
160.05219	1.1
161.06001	2.2
173.05811	2.3
195.09131	1.4
211.12413	1.3
223.12276	1.0
232.06940	0.9
237.19112	0.8
241.45985	1.0
271.13318	1.7
273.14685	1.4
315.23337	1.0
317.74762	1.1
345.16708	1.3
363.16257	1.9
375.16190	1.2
376.17258	1.5
377.17578	2.5
378.18399	2.7
386.15625	1.0
387.16037	1.4
389.18063	1.6
390.18582	1.5
391.19540	5.3
392.20245	1.2
393.20782	3.6
399.16324	1.7
400.16629	1.2
401.17816	4.5
402.18985	1.3
403.19492	1.4
404.15836	1.3
405.17035	3.1
405.21207	2.6
407.22232	3.7
413.17462	2.5
414.18231	3.2
415.19476	5.3
416.20279	1.9
417.20984	1.6
418.17670	1.4
419.18527	3.7
420.19455	1.2
421.20325	4.6
427.19305	1.1
428.20029	2.6
429.20789	3.6
430.21729	2.1
431.18515	2.4
433.15759	1.7
433.20636	1.6
435.21848	2.6
443.17548	1.9
443.22772	2.7
444.19498	4.1
445.20108	3.8
447.17499	4.4
448.19012	3.9
449.19470	4.3
456.19595	1.3
457.20511	2.0
458.20935	1.9
459.17719	1.6
460.18286	1.1
461.19388	4.4
462.20322	2.7
463.21277	3.2
471.22183	7.3
472.22882	1.9
473.20032	3.4
474.20483	2.5
475.21094	5.7
476.18375	2.9
477.23611	1.7
484.18546	1.1
485.19989	4.2
486.20349	4.0
489.22610	5.0
490.19193	4.4
491.20700	2.9
493.22208	1.2
499.21414	15.1
500.18088	1.0
501.23203	6.3
502.20221	1.0
503.20718	5.8
505.25562	1.1
507.23737	3.2
513.19189	2.5
514.20215	1.3
517.22412	12.0
518.22388	1.5
527.20453	2.7
529.22430	10.4
535.23535	6.9
545.21893	43.3
547.26807	1.8
549.25024	1.2
550.26038	3.2
555.19904	2.1
563.22650	13.3
564.23407	2.9
573.21191	15.2
591.25000	1.5
595.25421	3.4
605.23969	85.9
606.24268	2.8
613.79297	1.1
623.24988	100.0
623.41071	3.5
624.25494	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	622.279
Annotation	Unknow
Peak:m/z	Relative Intensity
63.17706	0.8
69.48279	6.8
70.35349	0.9
118.91067	0.8
120.08063	1.1
132.08096	1.4
136.40430	0.9
194.09796	0.9
208.10063	1.3
209.10767	2.2
210.11528	1.1
221.10754	1.2
222.11487	1.2
223.12364	2.1
225.10228	1.0
225.13895	1.5
235.12331	1.4
237.10269	1.5
237.13945	2.4
247.12343	1.0
251.08302	1.0
253.13608	1.0
261.14069	0.9
271.08188	1.0
314.12872	1.3
338.12961	1.0
352.14429	1.2
354.12238	1.0
361.15137	1.1
375.16162	2.4
388.17386	1.3
389.17932	2.8
390.18900	2.4
400.16846	1.1
402.14676	1.6
403.15411	3.2
403.19894	1.9
404.16010	1.4
404.20801	1.3
405.20688	2.8
415.15628	1.7
416.16367	1.5
417.16782	5.6
418.17340	4.6
419.18634	2.6
420.23489	1.3
430.13846	1.2
431.19360	4.6
432.19806	4.5
433.20425	6.0
434.21524	1.2
445.16812	4.5
446.17627	3.5
447.18106	11.2
447.22543	6.3
448.18555	2.7
448.23615	1.6
459.18222	3.4
460.18494	6.2
461.19580	11.6
462.20694	9.1
463.21390	1.6
473.19571	3.5
474.20157	1.9
475.21332	32.6
476.22076	14.6
477.23050	13.0
487.21414	1.3
488.21677	2.6
489.22968	3.4
491.20328	1.1
492.20117	1.2
503.20197	6.1
504.21509	1.3
505.22385	1.8
507.24878	1.0
515.20770	1.3
519.23511	2.6
521.21613	1.4
533.23413	1.8
534.25891	1.4
535.23108	16.0
536.24188	3.6
545.25079	1.2
547.23535	5.1
548.24164	2.0
549.25098	2.4
562.25616	14.0
563.26520	20.3
564.26910	1.3
566.28809	1.5
575.23071	1.5
579.25934	1.4
590.25336	5.8
593.25958	4.5
594.28308	6.8
605.27777	1.9
607.25537	6.6
622.27875	100.0
623.28259	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	622.2778
Annotation	Unknow
Peak:m/z	Relative Intensity
66.85544	1.1
70.42480	1.2
71.51466	1.6
71.51855	1.7
125.82028	1.1
191.51093	1.6
209.10750	2.7
211.12262	1.5
220.09995	2.3
235.12479	2.2
237.13947	2.0
251.08182	1.4
260.80609	1.2
314.12888	1.4
338.13107	1.7
362.37320	1.3
389.17715	4.2
391.19693	2.6
397.25342	1.4
403.15265	3.7
403.19772	2.6
404.15915	1.8
405.20987	3.0
416.17188	1.5
417.17114	4.4
417.22058	1.3
418.18210	4.3
419.18555	3.8
421.24231	1.4
431.18958	3.5
432.19531	4.5
433.20309	4.5
440.19171	1.4
443.18588	2.4
445.16653	4.4
446.17545	4.4
447.17905	7.9
447.22241	8.6
448.18073	2.4
448.23306	1.7
457.20245	1.5
459.17529	1.9
460.19168	5.0
461.19397	13.6
462.20499	12.3
463.21173	1.6
467.58319	1.4
473.20020	2.4
474.21164	1.9
475.21201	33.4
476.21948	18.5
477.23111	14.5
488.22028	2.3
489.22910	3.5
490.23471	2.1
503.21619	4.1
505.22134	2.1
507.23755	2.6
521.20850	1.6
533.25348	1.2
534.25909	1.8
535.22955	13.8
536.24298	4.2
547.23596	5.2
548.24023	2.1
549.25012	3.4
562.25555	10.8
563.26575	25.4
575.23090	2.2
579.25928	1.7
590.25140	7.9
593.26599	4.8
594.28235	6.4
607.25494	7.2
622.27789	100.0
623.28479	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	621.2712
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
70.68795	0.6
70.69104	0.6
84.63020	0.4
128.57365	0.4
149.02405	0.5
251.11887	0.6
374.15393	0.5
375.16141	0.7
387.16116	1.0
388.17010	1.1
389.13321	0.5
389.17429	2.5
390.18546	1.1
391.19327	1.1
401.17770	1.0
402.18497	1.4
403.19543	4.4
404.20081	2.5
405.20816	2.8
415.19394	1.1
416.16409	1.3
417.17062	3.4
417.21088	2.8
418.17398	0.9
418.22119	0.9
419.22470	6.7
420.22791	0.7
429.16711	0.5
430.17581	1.2
430.22382	0.8
431.18222	7.5
432.19293	2.8
433.19839	1.8
443.18497	1.2
445.15601	0.4
445.20303	5.8
445.24680	0.5
446.21024	7.1
447.21793	10.3
448.22998	0.5
457.20599	0.6
459.22711	2.9
460.22916	1.0
461.19781	1.4
463.21448	0.6
473.23578	1.2
474.20227	5.1
475.21252	7.3
477.23062	0.5
487.21216	2.8
488.22198	0.8
491.20837	1.2
501.22742	2.0
502.23642	0.5
505.26404	1.3
518.23688	0.5
519.20648	0.5
529.22418	0.7
533.25500	15.3
534.26422	0.5
561.25024	22.7
562.25568	0.6
565.27631	0.5
589.24335	1.1
593.27600	3.3
621.27094	100.0
622.27209	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2707
Annotation	Unknow
Peak:m/z	Relative Intensity
68.25103	0.5
69.94418	0.9
69.94810	1.0
71.47301	0.5
77.37790	0.5
90.38605	0.4
98.21439	0.5
98.63123	0.5
196.10017	0.5
256.16623	0.5
289.81134	0.6
374.15607	0.7
375.15930	1.0
387.15945	1.6
388.16885	1.6
389.17667	4.7
390.18506	1.3
391.19452	1.0
401.17801	1.4
402.18475	1.9
403.19431	8.0
404.20068	3.0
405.20770	2.3
410.48920	0.5
415.19702	1.0
416.16400	2.0
416.20795	1.1
417.16025	5.0
417.20987	4.0
418.21762	1.3
419.22363	10.5
420.22314	0.7
430.17645	1.7
431.18173	8.6
431.23581	1.0
432.19345	3.8
433.20255	1.8
443.18808	0.7
444.19516	1.4
445.20111	7.9
446.21005	7.2
447.21805	15.4
458.21005	0.7
459.17667	1.8
459.22040	2.7
460.18231	0.6
461.19864	1.0
473.18515	2.6
474.20367	15.0
475.21313	19.8
487.21469	5.2
488.21997	2.2
491.20352	0.8
501.22974	3.1
505.26453	0.8
510.99078	0.7
517.22302	0.9
518.23102	0.6
519.19617	0.7
529.22375	1.5
533.25610	12.9
537.36835	0.6
546.22333	1.1
561.24982	90.8
562.25409	3.5
589.24304	3.0
593.27753	4.0
621.27100	100.0
622.27283	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2713
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
52.47316	0.2
64.66155	0.3
68.91080	0.3
70.08812	1.0
79.05471	0.5
81.07053	0.4
98.21416	0.3
105.07037	0.3
144.55603	0.3
206.08524	0.3
221.10738	0.3
235.12291	0.4
245.10789	0.3
310.13382	0.3
312.14917	0.3
322.13715	0.3
323.14386	0.3
361.15445	0.3
362.16879	0.3
373.14651	0.6
374.15680	0.4
375.16217	1.0
376.17380	0.6
376.44073	0.3
377.17862	0.4
386.16760	0.3
387.16208	0.8
388.16605	1.3
389.17603	3.2
390.18445	1.1
391.19150	1.0
401.18091	1.3
402.18982	1.9
403.19467	4.3
404.20145	2.7
405.20810	1.8
414.19009	0.5
415.19333	0.9
416.15714	0.6
416.20212	1.0
417.17099	2.6
417.21069	2.2
418.22369	1.3
419.22543	5.7
420.23181	0.8
427.19348	0.5
429.21036	0.9
430.17322	0.5
430.22159	0.8
431.17804	3.4
431.23016	1.7
432.19470	1.2
433.20300	1.0
441.20621	0.4
443.18860	0.5
444.19824	0.4
445.20773	4.8
446.21304	3.3
447.21896	8.4
449.19800	0.4
459.17303	3.2
460.19077	1.4
461.19519	1.8
463.20792	0.4
471.18524	0.3
473.19684	1.5
473.24359	0.8
474.20486	8.8
475.21359	14.7
476.22186	0.8
486.20746	0.4
487.21432	3.4
488.22235	1.0
490.23575	0.4
491.24652	0.9
492.24860	0.4
501.23129	3.0
503.35785	0.3
505.26514	1.7
518.23071	0.7
519.20447	1.2
529.22260	0.6
533.25659	7.6
546.22327	0.6
561.25037	33.1
562.25488	1.6
565.28442	0.5
589.24573	1.7
593.27734	1.5
621.27142	100.0
622.27594	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2705
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
53.95604	0.3
60.72412	0.3
62.54413	0.4
70.76476	0.6
76.82339	0.3
92.67950	0.3
113.63436	0.3
122.71020	0.3
133.36201	0.3
254.70053	0.3
335.81320	0.3
373.14630	0.4
375.16028	0.7
387.16135	0.7
388.17105	0.9
389.17603	1.7
390.18552	0.5
391.19348	0.6
401.18109	0.7
402.18561	1.1
403.14694	0.4
403.19516	3.5
404.20126	1.2
405.21005	1.4
415.19766	0.6
416.16199	0.9
417.16302	2.7
417.21170	1.3
418.17175	0.5
418.22217	0.6
419.22491	5.2
420.23138	0.7
430.18146	1.1
431.18118	4.4
432.18961	1.8
433.20123	1.8
445.20093	4.5
446.20871	4.7
447.21799	7.2
448.22583	0.5
459.17340	0.7
459.22235	0.9
460.18097	0.5
460.23621	0.4
461.19870	1.0
463.21756	0.4
473.18930	0.5
473.24182	1.0
474.20258	4.6
475.21310	6.2
487.21347	2.5
488.22415	0.7
491.20981	1.0
501.23004	1.5
502.24026	0.4
503.21198	0.4
505.21576	0.5
505.26776	0.4
519.20215	0.6
529.22552	0.5
532.21637	0.4
533.25507	9.8
546.22461	0.7
561.25024	17.0
562.25482	1.0
589.24561	0.7
593.27466	3.8
621.27100	100.0
622.27319	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	621.1824
Annotation	Sutchuenoside A
Peak:m/z	Relative Intensity
52.67044	0.8
53.03935	1.1
55.01874	1.6
55.05501	3.1
57.03436	3.0
57.39076	0.9
61.02921	2.1
63.87521	0.8
65.28053	0.8
69.03415	1.9
70.29567	0.8
70.42628	2.7
71.05005	42.2
74.65169	0.7
75.04483	3.9
81.07009	1.3
83.04993	20.1
85.02436	1.1
85.02918	13.4
87.04478	5.5
97.02905	1.0
99.04454	1.3
111.04458	44.8
113.06032	18.3
115.03922	3.3
117.05504	8.6
119.08514	0.8
121.02852	1.9
129.05498	58.2
153.01810	2.6
153.05624	1.2
165.01881	1.5
167.07028	1.5
171.06564	16.3
175.07458	1.0
189.07614	27.8
191.16690	0.8
239.08890	1.1
243.06776	0.9
257.91513	0.8
258.05219	1.1
265.08746	1.2
287.05539	100.0
404.84885	0.9
406.02457	0.9
433.11267	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.1819
Annotation	Sutchuenoside A
Peak:m/z	Relative Intensity
55.01878	0.1
55.05521	2.1
57.03441	0.6
59.05026	0.2
59.17358	0.1
61.02936	1.1
67.01858	0.2
68.99493	0.1
68.99810	0.3
69.03436	36.4
69.30506	0.6
69.30933	0.5
69.32443	0.1
71.01377	1.1
71.05001	3.8
72.75986	0.1
76.58022	0.1
83.04991	10.2
84.23491	0.1
85.02914	4.4
87.04475	0.6
98.21611	0.2
99.04487	0.3
101.06008	0.3
105.03397	0.2
107.04986	0.2
111.00829	0.5
111.04453	9.9
121.02867	1.9
127.03955	0.2
129.05493	19.6
133.02898	0.3
135.04468	0.2
137.02357	0.4
147.04460	0.3
149.89494	0.1
153.01839	2.2
157.06555	0.2
165.01849	1.5
183.02971	0.7
189.07590	6.0
197.06078	0.2
213.05522	0.9
230.06592	0.2
231.06561	0.4
241.04883	0.8
258.05377	0.8
259.06134	0.4
269.04498	0.2
286.04764	0.2
287.05521	100.0
288.05838	1.3
289.45688	0.2
299.05603	0.3
311.05289	0.1
329.06619	0.4
379.08279	0.2
397.09235	0.7
433.11362	6.4
467.34445	0.1
475.12183	0.3
548.15137	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	620.2555
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11952	2.0
53.03930	6.7
53.74651	2.4
55.01868	4.3
57.43989	2.1
60.24900	2.1
61.02925	5.3
65.03937	3.2
67.05506	5.3
69.03428	3.5
70.06572	2.3
71.51511	3.0
72.08157	5.0
79.05485	3.0
81.03416	2.6
81.07056	3.5
84.02731	2.2
85.02914	8.0
86.09679	3.1
91.05482	8.1
95.04976	44.4
97.02901	4.7
98.97581	2.2
103.05474	5.1
105.04523	3.4
106.39137	2.0
107.04978	6.0
109.02878	2.3
110.93531	2.3
119.04941	6.2
123.04435	64.6
127.03935	4.0
131.04924	21.3
133.02840	8.1
135.04404	3.0
136.05154	2.2
137.05972	15.7
139.07545	2.6
140.04675	19.3
147.04349	10.5
149.05956	4.5
151.07552	6.6
155.07031	39.2
159.03128	2.4
161.06032	2.6
163.03920	3.3
163.07568	14.7
165.05492	7.8
167.07057	51.5
177.05489	5.4
179.07104	11.6
183.06541	100.0
195.06522	12.5
205.08505	2.7
207.06546	3.0
209.08168	2.6
225.07596	61.3
229.22263	2.2
233.07860	2.7
243.08678	10.0
284.02280	2.5
355.11859	2.9
373.12585	4.0
375.14191	3.1
620.19336	4.1
634.22955	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	621.1696
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	0.7
56.96567	23.0
57.03430	2.0
59.04995	0.5
61.02928	0.9
67.05502	0.6
70.59763	0.5
70.60072	0.9
71.01347	2.1
71.04995	1.2
71.95259	1.5
72.08154	1.8
73.02908	1.8
81.03425	1.5
83.04995	0.6
84.95551	0.6
84.96047	7.3
85.02910	6.9
87.04484	1.4
89.10796	0.9
91.03984	0.8
94.98729	0.4
97.02903	3.2
98.97590	100.0
99.04465	0.6
101.00908	0.7
102.97037	0.9
109.02893	0.9
110.97575	13.0
112.99136	2.1
113.02365	0.7
115.00663	0.6
116.46264	0.5
116.98629	36.0
119.01940	1.9
123.04446	0.8
124.99102	1.2
126.97041	0.9
127.00715	1.3
127.03962	2.4
128.98615	12.9
129.02144	0.8
131.00183	2.6
131.01891	1.7
134.99667	6.9
136.06216	0.5
136.99205	0.5
138.05461	0.7
139.03906	1.6
140.00269	0.8
140.98610	1.6
143.00177	4.7
143.01921	2.1
143.35783	0.5
144.98119	1.7
145.01753	2.5
145.03488	1.0
145.04974	2.2
146.99660	5.4
147.03302	3.5
147.04355	1.0
150.97032	0.6
152.98529	2.7
155.01930	0.8
156.98087	1.7
158.99663	36.7
161.01254	4.7
161.02977	2.2
162.99174	1.7
163.02769	1.5
165.04369	2.1
168.98172	1.0
170.03221	0.5
170.99695	6.7
171.03322	4.6
171.04892	0.8
173.01305	0.9
173.03004	1.5
174.99159	2.0
175.02756	1.6
175.04373	0.5
177.00726	27.0
179.02319	0.7
185.01286	0.6
186.04486	0.7
186.99173	1.2
187.02762	1.0
189.00760	3.4
189.04362	9.8
189.06035	1.1
193.00235	0.7
193.03795	0.7
195.01755	1.3
196.97581	0.7
197.01259	0.7
197.03058	0.8
200.02426	0.9
201.00700	3.6
201.02461	0.7
201.04292	1.0
202.98592	0.7
203.02277	0.6
203.04041	1.0
203.05794	0.8
207.05356	3.1
213.00639	0.8
214.98604	0.8
215.02272	0.6
217.00221	0.9
219.01787	23.8
219.05310	1.0
221.05104	1.6
225.00737	0.7
231.05467	2.2
233.06929	1.2
237.02835	28.9
243.01761	0.9
243.05440	0.7
245.05057	1.2
249.00655	0.7
249.06514	1.1
253.03912	0.6
255.03911	1.6
267.01788	2.3
272.06689	0.8
275.09787	0.8
279.04025	1.1
285.02667	0.7
287.00729	0.5
291.07501	27.5
293.11005	0.9
295.10956	0.5
305.10910	1.1
309.08575	75.9
310.09058	0.8
332.10229	2.0
333.04901	0.9
333.08539	0.9
335.06519	0.8
339.09763	0.6
345.01544	0.9
347.04742	0.6
351.09735	1.9
357.06497	0.7
363.02423	0.7
363.09482	0.6
369.04785	3.9
387.05991	4.3
427.13956	0.7
436.14615	0.6
439.11212	2.8
453.12766	3.1
459.10837	0.7
460.10553	0.5
603.15784	1.9
621.17059	37.8
622.17719	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.8
55.01867	1.8
55.05520	1.2
57.03437	1.1
61.81697	1.0
66.46732	0.9
69.03436	7.5
70.06606	1.2
71.12621	2.0
71.12933	1.1
72.08172	1.6
75.35661	1.0
78.04730	2.4
79.05498	7.1
81.03413	5.8
81.07076	2.1
82.83759	0.9
84.08132	1.5
85.02913	9.5
87.00836	3.8
91.05488	5.3
93.07050	2.0
95.04996	1.8
97.02889	3.2
99.04455	1.7
103.05470	3.2
105.01914	2.4
105.07059	8.0
106.04168	1.8
107.04970	14.1
109.02890	5.0
109.06513	1.0
115.05460	3.9
117.07013	1.6
118.04194	1.8
119.08598	1.9
121.06516	1.8
122.03628	1.2
123.04462	5.9
124.05222	3.6
127.03929	6.7
128.06236	1.9
129.07013	6.1
130.12288	1.5
131.04942	5.4
131.08592	1.2
132.05702	2.7
133.06503	4.6
137.06007	2.8
137.96449	1.0
141.06976	1.3
145.04968	2.2
145.06496	1.4
147.08084	3.2
151.03925	1.4
152.04750	2.1
153.05446	2.9
156.05695	2.2
159.02919	2.2
159.08084	5.6
160.05220	1.9
161.05986	9.1
167.07056	100.0
168.05763	1.6
169.06458	1.4
171.08173	1.5
174.37740	1.0
175.07565	28.2
176.04716	1.6
177.09174	0.9
178.07814	1.3
179.06967	1.0
184.05249	1.1
187.07567	18.1
189.07056	2.1
189.09152	2.0
190.07819	1.8
191.07063	13.9
191.08646	1.8
193.08620	2.6
199.07550	9.2
201.09116	1.8
203.08598	3.9
205.06502	1.4
205.10191	1.1
206.07324	2.7
207.08269	1.3
209.08064	2.2
215.08617	2.3
218.07277	3.8
219.08054	3.8
220.08774	1.9
221.09651	3.3
231.05145	1.6
231.08083	3.1
232.08884	2.1
233.09692	5.1
234.06740	2.0
235.07582	2.4
243.07999	1.1
245.06018	1.4
246.06819	2.4
247.07614	1.9
248.08394	1.8
249.09161	5.3
250.10039	1.8
251.07016	2.0
257.05975	1.8
259.07495	1.9
260.08240	2.5
261.09232	5.3
262.09665	1.0
263.07019	3.0
275.07056	2.2
277.08585	3.1
278.09409	2.2
281.11835	6.8
289.08517	6.8
290.09470	1.1
291.10165	1.2
293.11728	3.3
294.08939	1.1
295.09766	1.2
306.08969	2.9
307.09909	1.2
309.11279	7.8
310.11887	1.2
311.09274	1.7
321.11267	10.4
322.11832	2.0
323.09171	1.7
326.11557	2.9
338.11392	1.0
341.13855	33.0
351.12247	1.0
353.13843	26.6
363.12192	1.3
371.14926	2.5
422.32733	2.1
439.35529	3.5
564.85376	1.1
619.41321	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	619.0823
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	1.3
55.91305	0.8
56.96568	58.3
57.03431	2.8
60.95845	1.7
61.02927	2.0
69.03432	6.3
69.60546	2.3
69.60956	2.9
71.01364	7.2
71.95250	2.9
72.08133	1.1
73.02901	2.1
74.97613	1.2
81.03417	2.2
84.96040	91.9
85.02905	11.9
86.09712	1.3
87.04472	1.8
88.95308	3.5
97.02906	7.8
97.99284	1.0
98.21544	0.7
98.97588	89.3
99.04440	1.9
100.99126	0.9
101.00896	1.6
101.02367	0.9
102.01530	0.8
102.97087	10.0
109.02876	1.0
110.97578	100.0
112.99160	5.2
113.00854	1.5
113.02378	1.8
114.96860	5.1
115.00643	1.3
115.02467	1.5
115.03928	1.2
116.98628	32.5
119.01920	3.2
120.02599	1.4
120.98102	1.9
122.97619	1.1
124.95483	1.4
124.99094	4.9
126.97040	5.4
127.00703	3.1
127.03922	2.5
128.98613	86.3
131.00198	3.2
131.01897	5.4
132.97923	3.4
133.01634	1.4
134.99675	7.2
136.55362	0.8
137.05940	1.2
138.97044	6.4
140.00171	1.0
140.98613	6.8
141.01877	1.2
142.96515	2.7
143.00171	12.8
143.01959	2.4
144.98105	11.5
145.01730	3.1
145.03519	1.7
145.04962	3.1
146.02406	0.9
146.99664	25.3
147.01385	1.1
149.01230	1.4
150.38835	0.8
150.97044	2.8
150.98961	1.3
152.00189	2.4
152.98613	10.3
155.00206	3.6
155.01871	1.6
156.98094	31.6
157.01730	2.1
157.03468	2.8
158.99670	28.3
159.01317	1.9
159.03102	1.5
160.97504	2.0
161.01251	11.7
161.02988	3.1
162.99165	7.3
164.98651	0.9
165.00757	2.3
167.00220	1.2
168.98099	14.8
170.99667	39.3
172.97420	1.1
173.01273	3.9
173.02979	2.6
174.99159	59.7
175.04506	1.1
176.03404	1.7
177.00734	20.9
178.98401	3.0
179.02298	2.6
180.98088	1.4
182.99773	4.1
183.01349	1.1
184.03172	0.9
184.97610	3.8
185.01291	4.6
185.02814	1.1
186.99174	26.4
187.00887	1.3
189.00740	22.7
190.03157	1.5
190.98546	2.1
191.02139	1.7
193.00227	13.8
193.01930	1.2
194.99776	1.3
195.01721	1.4
195.17636	0.8
196.97597	9.2
196.99332	1.3
197.03096	2.5
198.00764	1.2
198.99211	5.8
199.02748	1.1
200.96681	0.9
201.00742	8.4
201.02345	1.5
202.98631	4.9
203.02293	1.6
203.03990	1.3
205.00212	6.4
206.99887	1.0
207.01810	3.1
207.10420	0.8
210.99173	3.6
211.04619	1.1
213.00700	12.8
213.02478	1.2
214.98640	24.8
215.01961	1.5
217.00269	8.4
217.05444	1.0
219.01759	24.3
220.99808	1.1
221.05098	2.6
222.99277	1.2
225.00722	1.1
225.02573	1.4
226.04189	1.2
229.00214	11.4
229.02098	1.1
231.01726	5.4
232.99687	5.6
235.01118	3.9
237.00487	1.7
237.02818	22.8
239.04424	3.8
241.00105	4.5
243.01637	2.0
244.99710	2.1
245.05130	1.3
247.01347	4.8
247.05296	1.4
251.00833	1.4
253.00186	1.2
254.03426	0.9
254.06183	0.9
255.01649	1.8
255.04208	3.2
256.99792	1.6
259.01144	4.1
260.99197	2.8
261.02722	1.7
263.00906	1.9
263.06720	2.1
265.02396	1.4
268.99664	2.5
271.01352	2.9
271.05908	2.0
273.02869	3.4
275.00714	2.6
279.03802	1.4
281.35773	1.0
287.00754	2.7
291.03693	1.2
293.01855	1.3
301.02341	2.0
305.10989	2.3
307.03445	2.2
309.05005	1.9
311.07480	0.8
313.01886	1.0
315.00436	2.3
315.13275	1.0
319.03430	2.5
327.00360	9.2
327.04446	1.2
329.01715	1.3
330.99640	1.2
331.03290	19.2
333.06836	1.6
337.04352	1.0
345.01324	63.4
346.01752	1.4
347.02347	1.5
349.00610	3.6
349.04428	37.7
351.06030	1.2
353.07761	1.3
358.14532	0.8
359.02936	6.6
361.04837	0.9
363.02365	5.7
367.01520	1.1
367.05682	3.4
367.10400	1.4
368.02982	1.5
372.06207	1.3
373.04501	1.2
377.03961	18.8
385.04425	1.2
387.02396	16.1
387.06949	1.4
389.03986	1.1
391.05637	2.1
401.03815	1.6
405.03561	1.7
415.01819	1.7
415.08029	1.4
417.03140	1.1
419.05032	1.6
431.04993	4.3
439.01920	2.1
443.04919	5.3
447.04446	2.4
457.08487	1.2
459.04410	6.6
461.06308	1.9
479.07001	1.4
487.03781	3.3
529.05206	1.8
540.02838	1.0
561.07587	1.3
619.08209	35.7
619.18506	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	618.4279
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	10.3
55.05511	48.1
56.96563	11.1
57.07075	5.3
59.05013	7.9
60.02275	3.8
60.04562	3.9
65.03937	6.2
67.05505	29.5
69.03423	9.8
69.07066	21.1
71.05005	12.6
71.51750	4.2
71.52152	5.5
77.58035	4.3
79.05501	23.8
81.07059	47.1
83.04983	15.6
83.08628	56.7
84.96040	5.8
85.06554	10.1
87.04453	4.9
91.05485	57.1
92.06289	4.2
93.07059	64.3
95.04975	34.5
95.08620	35.9
97.06535	27.2
98.97608	5.4
99.04450	6.3
104.10756	33.7
105.07042	100.0
107.04945	6.7
107.08614	56.6
109.06528	14.6
109.10140	23.7
111.08105	8.4
113.09650	6.8
115.05455	5.1
117.07040	20.3
119.08593	83.0
121.06512	16.2
121.10156	43.0
123.08094	18.3
123.11710	6.5
125.09657	24.5
128.06247	16.1
129.07011	20.4
130.07741	5.6
131.08598	37.0
132.09308	6.1
133.10152	42.5
134.10910	5.1
135.08043	9.1
135.11705	9.4
139.11205	16.3
141.07014	12.1
142.07797	25.2
143.00160	4.7
143.08578	34.1
144.09395	12.9
145.06525	7.0
145.10129	54.0
146.10873	4.2
147.08055	8.6
147.11745	22.5
149.09651	12.4
153.07050	5.6
154.07811	5.1
155.08588	14.9
155.10658	10.1
156.09357	22.0
157.10165	52.0
158.10890	6.8
159.08080	17.7
159.11699	23.5
160.08867	13.0
161.09618	17.2
161.13257	9.8
163.11252	6.8
165.06976	4.7
167.08580	12.4
167.10701	16.0
168.09335	4.8
169.10196	22.2
170.10869	9.5
171.08006	5.5
171.11661	33.8
173.09627	12.2
173.13297	14.6
175.11296	10.7
175.14754	5.4
179.08556	11.5
180.09309	8.4
181.10098	14.0
181.12302	26.9
182.10912	12.0
183.11708	20.8
185.09706	5.4
185.13300	18.2
187.11244	8.0
187.14929	7.0
189.12694	5.6
191.14299	7.9
192.09525	5.3
193.10147	13.3
194.10904	12.4
195.11760	26.2
196.12570	9.9
197.13280	34.4
199.11172	8.7
199.14827	11.9
201.00681	4.9
203.14255	5.0
206.10886	6.4
207.11670	15.3
208.12531	7.9
209.13275	26.6
211.14812	21.1
213.12732	6.7
213.16415	4.8
215.14272	11.6
221.13268	12.3
221.15421	24.3
222.13989	6.7
223.14835	12.0
225.12787	4.7
225.14854	11.8
227.14325	5.2
229.16034	5.4
233.13332	8.1
233.15367	37.9
235.14795	12.7
235.16974	5.6
237.16513	10.3
239.18051	5.8
241.15746	6.6
245.13277	7.0
247.14761	7.7
247.17096	5.9
249.16411	14.3
251.17915	6.4
255.17490	29.7
263.17999	7.8
265.19608	8.1
269.19086	5.1
273.18646	7.9
275.17883	6.8
283.01874	6.9
283.20438	5.6
286.19452	5.6
287.20206	5.2
293.19046	4.6
317.18134	6.1
318.18353	8.2
365.24762	9.4
382.60364	4.3
383.25726	12.0
399.26691	5.4
558.29095	5.3
599.21808	4.1
600.41400	6.6
618.23340	33.4
618.42133	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	615.4984
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.2
55.01871	1.4
55.05512	16.5
57.03436	5.5
57.07079	5.5
65.03931	2.6
67.05505	49.6
69.07068	22.4
71.08630	3.2
71.51517	1.6
77.03962	1.4
79.05492	32.0
81.07060	56.9
83.04965	1.5
83.08612	10.4
85.06555	2.4
85.10204	1.6
89.06019	2.8
90.06392	1.1
91.05479	19.1
93.07044	35.9
93.07636	1.8
95.08609	44.2
97.06508	2.6
97.10172	8.7
99.08131	1.6
105.07029	22.5
107.08596	19.2
109.10154	22.2
111.08095	1.7
111.11723	1.9
117.07009	6.6
119.08582	21.2
121.10144	18.3
123.11732	10.5
125.09698	1.6
129.07059	3.6
131.08557	12.1
133.08620	2.0
133.10135	18.3
135.11703	12.5
137.13260	2.8
143.08623	3.6
145.10141	12.3
147.11688	11.3
149.13257	9.1
151.14810	1.6
157.10165	3.9
159.11720	10.4
161.13251	8.3
163.11266	1.8
163.14838	4.1
171.11734	3.5
173.13310	6.1
175.14854	4.4
177.16415	1.9
185.13350	2.2
187.14883	4.4
189.16399	4.2
191.18013	1.5
199.14864	2.6
201.16415	3.2
205.19675	1.6
215.17941	2.3
219.21010	1.4
229.19691	1.4
233.22690	1.4
241.19733	1.8
243.21175	2.9
245.22650	1.5
247.24297	1.7
259.20679	4.3
261.22247	10.6
263.23868	2.5
273.22293	1.4
287.23837	1.8
301.25360	1.6
315.27139	1.7
325.57880	1.2
327.26608	1.6
333.24298	3.2
335.25754	10.2
337.27313	12.3
339.29019	3.3
343.29950	1.7
357.31604	1.7
371.33255	1.3
505.38562	1.4
505.45065	1.3
523.45154	4.4
541.46130	2.3
545.42145	1.8
597.48883	15.0
615.49823	100.0
616.50354	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	615.499
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76530	0.8
53.03956	4.0
53.10696	0.9
55.05521	20.8
57.03444	7.6
57.07090	5.3
58.43062	0.9
65.03954	2.0
67.05513	52.0
69.07079	21.1
69.28526	8.1
71.04978	1.3
71.08643	2.2
79.05500	27.9
80.47083	0.8
81.07069	53.0
83.04997	1.4
83.08633	14.5
85.06567	2.6
91.05495	18.5
93.07059	36.2
95.04988	2.0
95.08621	42.1
97.06552	3.6
97.10188	7.6
99.08107	1.2
105.07047	19.1
107.08609	23.6
109.06566	1.3
109.10166	23.3
111.08113	1.2
111.11772	1.7
113.09642	1.0
117.07063	6.4
119.08600	22.5
121.10156	19.5
123.11713	10.3
123.53378	1.1
125.09659	2.0
129.07005	2.7
131.08603	11.5
133.10146	14.4
135.11710	13.6
137.09547	1.0
137.13307	3.8
139.11244	1.4
143.08591	3.1
145.10132	11.9
147.11710	12.0
149.09612	0.9
149.13303	10.1
151.07521	1.0
151.14891	1.6
155.08643	0.9
157.10184	4.1
159.11720	9.8
161.13280	8.0
163.14865	5.4
165.12872	1.2
169.10172	1.3
171.10437	0.8
171.11673	4.4
173.13300	5.8
175.14883	6.1
177.16441	2.1
185.13338	3.3
187.14894	3.9
189.16452	1.3
199.14922	1.3
201.16536	2.7
215.17963	1.6
218.62984	1.0
219.21124	1.8
231.21146	1.9
233.19212	1.1
237.22510	0.9
241.19762	1.6
243.21199	3.0
247.20654	1.1
247.24391	1.2
253.47519	1.0
259.20615	5.3
261.22208	9.6
263.23706	1.7
277.22006	1.1
287.23840	1.5
301.25342	1.4
313.25296	1.1
315.27048	1.1
317.24911	1.6
323.26407	1.1
333.24197	2.2
335.25833	10.5
337.27390	13.4
339.28912	4.9
343.30118	1.4
365.30701	1.2
369.32025	0.9
371.33627	1.2
464.92902	1.0
523.45068	4.9
531.41040	1.3
541.46222	3.2
545.41925	1.3
555.92334	0.9
597.48969	13.0
615.49933	100.0
616.50122	1.5
644.76636	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.421
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	41.4
57.07075	8.9
67.05518	29.8
69.03448	12.0
69.07066	13.5
71.08327	5.2
79.05504	18.7
81.07056	30.2
83.05003	12.5
83.08625	63.7
85.06557	7.6
91.05502	27.3
93.07043	42.7
95.04990	13.0
95.08631	33.6
96.08981	5.1
97.06525	18.1
105.07037	34.0
107.08612	40.5
109.06551	7.9
109.10166	17.6
111.08109	6.3
115.05486	5.2
119.08600	41.9
121.06548	10.1
121.10172	28.9
123.08104	29.4
125.05997	6.7
125.09660	18.3
129.07047	7.1
131.08546	33.8
133.10129	21.8
135.08022	10.4
135.11700	9.6
137.09650	19.4
139.11246	10.3
142.07864	6.8
143.08574	19.7
145.10164	45.3
147.08054	17.3
147.11644	8.9
151.07571	20.3
156.09389	8.7
157.10170	34.0
159.11716	20.4
161.09712	13.6
161.13359	8.4
163.11191	12.6
164.68159	5.4
165.09158	54.1
167.08565	7.6
169.10155	16.2
170.10959	6.7
171.11665	27.5
173.13264	7.1
181.10156	9.0
181.12267	24.8
183.11729	19.4
185.13324	9.3
189.12767	7.9
195.11690	9.3
197.13280	15.0
199.14876	5.2
203.14359	17.1
207.13814	5.6
209.13246	8.9
211.14894	10.4
221.13440	5.2
221.15404	100.0
223.14856	11.8
227.14351	6.0
233.15434	6.7
247.17155	6.5
271.16736	8.1
287.20038	11.5
299.20084	12.2
300.20779	13.4
311.20023	7.2
391.26385	7.9
413.28030	8.1
431.29483	11.0
543.65924	6.2
546.25806	5.7
588.39124	5.8
599.40588	20.0
617.41852	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	615.2582
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04993	0.3
67.05504	0.4
67.50843	0.3
68.27961	0.3
69.07055	0.6
69.21481	3.1
69.30730	0.3
70.86414	0.3
81.07056	0.7
89.06053	1.7
89.06511	0.3
95.08607	0.5
105.07043	0.5
107.08634	0.5
109.10135	0.4
119.08599	0.6
121.10142	0.3
122.53358	0.3
123.08085	0.5
131.08563	0.5
133.08591	1.1
133.10167	0.8
142.07788	0.4
148.11395	0.3
151.47855	0.3
157.10124	0.5
159.11626	0.4
163.11273	0.3
165.09187	0.4
177.11249	0.7
221.15439	1.0
288.52457	0.3
417.59088	0.3
495.18155	0.5
509.19476	0.8
510.20316	8.9
523.21393	0.4
524.21796	3.9
538.23297	0.4
539.24213	100.0
540.24481	3.0
583.23792	0.4
586.16876	0.3
615.26093	1.4
615.43433	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.4407
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56542	5.1
55.05508	21.5
57.07077	12.3
59.05008	15.9
67.05502	28.5
69.03415	6.7
69.07079	16.4
70.64969	5.5
73.06538	7.1
79.05500	24.8
81.07065	38.4
82.50273	6.2
83.05003	5.8
83.08627	8.2
85.06538	23.4
89.06034	25.1
91.05483	36.5
93.07052	64.9
95.04960	9.2
95.08612	53.3
99.04389	8.6
105.07045	59.5
107.08595	37.3
109.06532	11.0
109.10161	25.8
110.47201	5.8
111.08109	10.5
117.07014	18.8
119.08595	81.7
121.06465	7.2
121.10154	34.7
123.08066	38.4
125.09634	17.1
129.06978	13.1
130.07802	8.7
131.08569	29.0
133.08588	12.4
133.10132	57.7
135.08041	17.4
135.11694	13.1
137.09599	21.2
139.11172	7.4
141.07092	7.7
142.07854	13.4
143.08549	19.7
144.09323	8.2
145.10130	42.6
147.08099	14.0
147.11697	21.3
149.09624	12.0
151.07547	50.4
151.11221	12.9
155.08601	7.1
156.09315	9.8
157.10170	21.2
159.11731	24.1
161.09590	10.4
161.13306	8.4
163.11238	10.6
165.09097	40.3
169.10178	14.4
170.11053	6.9
171.11742	16.0
173.13271	17.5
175.14810	21.8
181.10141	7.0
181.12268	10.1
183.11752	15.6
185.13202	7.7
187.14815	9.8
189.12706	15.1
195.11717	10.5
197.13225	15.6
203.14352	23.7
207.11958	9.8
207.13895	18.4
209.13318	11.7
210.13986	6.4
211.15002	6.6
221.13365	11.3
221.15395	93.1
223.14862	10.9
223.16931	14.2
241.53174	5.3
281.18958	7.4
283.20471	7.6
286.19183	6.6
299.20203	8.7
315.23209	5.7
431.29419	6.5
436.14365	6.2
491.35342	9.0
583.41595	21.6
597.42859	13.6
615.44043	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96297	2.3
56.96566	29.0
57.03431	1.4
61.02908	2.1
62.13527	1.1
69.03423	3.9
70.17061	4.6
71.92342	1.3
73.02914	2.4
84.96035	21.6
85.02908	7.4
87.18949	1.1
97.02891	5.4
98.97592	100.0
101.00871	2.2
110.97572	39.4
112.99139	2.4
116.61287	1.2
116.98632	34.7
118.98431	1.4
119.01896	4.4
124.99122	3.0
127.00704	4.0
127.03902	2.9
128.97693	2.5
128.98615	38.2
131.00191	1.8
131.01857	3.2
134.99675	8.4
138.97028	2.1
140.98595	7.4
143.00183	13.0
143.01872	2.7
144.98064	2.2
145.01720	3.3
145.04915	2.0
146.02336	2.3
146.99670	12.2
147.04417	3.7
149.01093	2.0
152.98599	4.9
155.01807	1.9
155.02899	3.0
156.98125	6.5
157.01620	1.8
157.03537	3.4
158.98328	2.1
158.99657	36.4
159.03293	3.9
161.01216	11.1
161.02931	5.1
162.99208	1.5
168.98125	2.2
170.99652	29.3
171.05087	1.5
173.01201	3.7
173.02861	3.0
174.99171	12.8
175.02805	1.8
175.04527	2.2
177.00729	33.2
177.04205	2.2
179.02264	2.6
182.99689	16.4
185.02936	2.7
186.99176	4.4
187.02832	3.6
189.00745	29.5
191.02309	1.5
191.03847	2.7
192.04712	5.8
193.00275	3.3
194.99942	1.4
196.97617	3.2
197.03165	2.3
200.04466	2.4
201.00723	47.8
202.98752	1.8
203.02237	1.9
203.04005	2.5
205.03818	3.5
207.01772	5.4
213.00740	7.1
214.98662	6.9
215.04185	1.5
219.01797	42.3
221.03267	2.8
223.04832	3.5
223.06659	3.3
229.03719	2.6
231.01753	5.7
232.99716	1.7
237.02843	20.1
239.04369	2.6
243.01781	21.8
245.05019	5.3
247.04739	6.4
249.51848	1.6
251.04349	1.7
255.03851	2.3
261.02838	77.8
263.06219	1.8
272.06610	7.8
272.56714	6.8
273.02774	6.9
273.07269	6.8
279.03903	56.3
282.07730	2.1
287.01593	1.4
289.05838	2.3
291.03894	10.8
303.03790	2.4
321.04953	25.3
327.00137	2.5
333.04926	5.0
337.09833	2.7
345.01279	16.9
349.08215	2.5
351.05789	8.4
362.60068	2.7
363.02399	1.7
363.10519	8.8
367.10709	3.7
381.07080	5.6
399.08029	4.9
409.10355	2.3
427.01419	1.5
441.09235	84.3
443.62598	1.6
485.08249	5.0
511.13541	8.6
529.14178	4.7
571.15302	4.3
615.05011	2.4
624.93835	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02349	1.2
53.03946	9.7
55.01872	7.1
55.05515	7.0
57.03423	5.0
61.02914	4.2
65.03931	1.5
67.05502	6.7
68.99784	4.9
69.03432	42.0
69.07047	3.2
70.06583	1.0
71.04987	7.9
73.02908	4.2
79.05492	7.2
81.03420	42.2
81.07067	10.3
83.01343	2.1
83.04984	59.7
85.02908	44.7
87.00839	17.6
91.05487	11.6
93.07035	7.8
95.04993	5.8
95.08613	8.2
97.02886	24.2
97.06522	2.8
99.04458	15.4
100.18671	1.2
101.02386	1.2
101.06023	2.7
103.05475	1.9
105.01873	12.3
105.07039	17.3
107.04951	4.9
107.08613	9.3
109.02884	44.9
109.06510	4.8
109.10146	3.2
109.51199	1.1
111.04436	3.1
115.05423	3.0
117.01832	2.3
117.07009	4.5
119.04941	1.8
119.08588	11.5
121.02811	2.2
121.06495	4.6
121.10140	3.2
123.04402	2.6
123.08038	2.9
125.06030	2.5
125.09692	1.7
125.73331	1.0
127.03922	100.0
128.06235	6.0
129.01820	5.1
129.07008	4.8
131.04942	6.0
131.08582	15.0
133.06491	3.3
133.10146	7.6
135.08058	4.4
137.05968	4.9
137.09598	3.5
141.05458	1.7
141.07018	2.3
142.07852	1.4
143.08563	11.9
145.04955	11.6
145.06470	2.5
145.10152	8.0
146.07233	2.3
147.02847	5.1
147.04410	1.9
147.08055	7.3
147.11679	5.1
149.05949	2.4
149.09618	2.8
151.03845	1.4
151.07559	2.8
151.11232	1.3
153.07005	1.7
153.09109	1.5
155.08553	3.3
156.09306	1.4
157.10187	2.3
158.07249	1.8
158.10892	2.0
159.02924	8.6
159.08061	12.2
159.11688	4.5
161.06030	2.4
161.09616	33.4
161.13258	1.8
163.07538	4.2
163.11154	1.6
165.09109	7.6
167.06950	2.0
168.09334	2.9
169.04893	1.9
171.02884	1.3
171.08006	6.2
171.11647	2.6
172.08815	2.7
173.09605	3.2
173.13286	9.3
175.07498	2.4
175.11160	3.3
177.09096	12.7
179.10704	1.2
181.04987	1.1
183.11679	6.3
185.09573	1.5
185.13223	1.6
187.06006	3.7
187.07539	3.0
187.11284	2.7
189.09114	20.9
189.12753	2.7
191.06865	2.0
191.10703	3.0
191.14279	2.3
193.08563	1.8
193.10167	2.0
199.11139	4.4
201.09076	1.2
201.12767	28.5
203.10796	1.9
203.14296	2.4
205.08603	1.8
207.10172	18.1
207.13989	1.1
211.11188	4.4
213.03937	8.0
217.12305	5.8
219.10278	2.6
219.13805	21.3
229.12256	26.7
231.04994	16.7
235.13287	3.9
247.13322	35.1
249.11183	6.6
260.76086	1.1
261.14694	1.3
265.14343	14.6
271.13385	2.5
273.06110	6.1
289.14401	8.4
291.07089	2.8
303.04895	2.5
304.05185	1.5
307.06204	1.1
307.15344	14.2
331.15222	1.5
349.16339	3.1
367.17520	12.9
453.10800	4.0
615.22369	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	615.0514
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88060	0.5
56.96569	39.9
57.03442	0.6
69.03422	1.0
69.16837	4.0
69.17255	2.8
71.01374	0.7
71.95265	2.1
84.96039	84.2
85.02914	1.9
97.02895	1.2
98.97589	16.8
98.98212	1.1
102.97072	6.9
107.74617	0.8
110.97576	100.0
112.99174	1.1
116.98624	4.2
124.95512	2.7
124.99126	1.7
126.97101	2.9
127.00661	3.9
128.98618	58.9
131.01904	1.4
138.82567	0.6
138.90475	0.5
138.97026	11.6
140.98607	4.7
142.96565	1.9
143.00162	3.3
144.98088	3.4
145.01730	1.6
146.99663	11.8
150.97063	5.6
152.00272	0.7
152.98640	4.6
155.00201	0.8
156.98102	44.8
157.98395	0.6
158.99657	4.0
159.03116	0.8
161.01250	1.4
162.99159	1.4
163.02745	0.7
166.96451	1.0
168.98117	18.1
170.98218	0.8
170.99672	13.1
173.01292	1.4
174.99158	47.8
177.00716	1.1
182.99699	1.7
183.01257	0.8
184.97621	5.0
185.01265	1.2
185.02921	0.9
186.99164	22.0
189.00719	6.2
193.00249	7.4
196.97592	16.2
198.99182	2.0
201.00737	2.1
202.98669	6.7
205.00232	5.0
210.99178	2.0
213.00717	1.1
214.98651	31.0
217.00235	1.6
219.01779	2.2
221.05215	0.7
226.98586	1.3
229.00259	3.3
232.99710	6.5
237.02861	1.4
238.98672	0.8
241.00131	0.9
244.99658	2.2
247.01408	1.4
251.00858	1.6
256.99887	0.9
260.99261	3.2
263.00781	0.8
268.99710	3.1
275.00781	3.2
279.00293	1.7
280.99808	0.8
284.99152	1.2
287.00766	2.3
295.06973	1.1
296.99271	1.8
305.01605	0.8
315.00223	4.5
321.08527	1.0
327.00223	13.3
327.04587	0.8
327.05734	0.8
333.01324	0.8
337.08075	1.0
345.01306	91.8
346.01639	1.4
363.02374	11.2
368.02795	1.1
373.00830	1.9
387.02277	3.5
395.48016	0.7
427.01730	4.7
431.01038	0.8
439.01990	4.5
443.01501	0.7
445.02737	1.9
453.04849	0.8
455.01270	8.5
457.02640	0.9
475.03854	1.3
525.01569	0.8
583.12183	0.8
585.99255	0.6
615.04950	12.6
615.14514	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.463
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	9.2
55.01874	6.9
55.05495	21.9
57.03424	22.7
57.07069	10.8
59.04988	16.1
63.17995	5.5
65.77940	5.0
67.05194	5.2
67.05511	77.2
69.03416	5.6
69.07073	31.3
71.08627	11.7
71.51725	6.4
71.52120	5.6
76.20542	5.4
79.05500	30.7
81.03422	77.2
81.07059	68.3
83.04964	7.2
83.08625	42.8
83.56470	4.8
85.10220	5.5
89.06049	75.3
91.05475	40.4
93.07043	37.4
93.72406	5.5
95.04972	30.2
95.08611	58.2
97.10159	16.3
100.67352	5.7
105.07037	30.5
106.70274	6.1
107.08570	20.1
107.22398	5.2
109.06525	5.5
109.10152	15.9
111.23591	5.1
117.06993	6.8
117.91597	5.0
119.08602	28.4
121.00764	5.8
121.06527	6.9
121.10146	20.9
123.08108	6.1
123.11695	11.0
125.09615	7.7
129.06984	8.6
131.08565	20.4
133.06490	8.1
133.08609	43.9
133.10095	22.5
135.11687	10.1
137.05978	6.6
142.07762	6.3
147.11673	18.5
149.09645	7.4
157.10133	13.0
159.11714	9.4
161.09595	6.1
161.13350	5.7
175.11205	10.7
175.14699	7.2
177.11234	17.1
193.12215	19.7
263.23590	6.1
267.15884	100.0
337.27365	93.2
415.25403	7.4
529.38995	71.5
534.33429	7.4
547.39807	21.7
582.27258	6.5
614.29999	7.0
614.48285	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	614.3386
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54306	0.8
53.03957	4.8
54.21275	1.0
55.01870	2.5
55.05507	3.4
56.05033	4.2
57.03440	3.5
57.07064	1.2
60.04531	100.0
61.02924	2.9
65.03951	1.4
67.05511	13.0
68.99797	1.6
69.03436	12.5
69.07076	2.7
69.18641	5.8
69.19062	3.6
70.06589	3.4
71.04996	3.8
72.04514	3.3
72.08153	0.9
73.02913	2.4
74.06083	5.0
79.05498	8.8
79.73155	0.9
80.05016	3.1
81.03426	14.5
81.07067	12.9
82.06603	1.5
83.04981	2.6
83.08635	1.3
84.04508	2.3
84.08141	1.2
85.02911	22.7
85.06546	3.9
85.10672	1.0
86.06075	3.9
87.00842	7.0
90.05556	1.3
91.05479	8.3
93.07055	9.3
94.06583	1.8
95.05008	2.1
95.08616	10.1
97.02904	8.0
97.06555	1.3
99.04464	4.7
101.02435	1.0
102.05556	3.1
104.07141	2.5
105.01871	3.1
105.07058	4.4
107.04936	1.1
107.08615	4.5
107.50021	0.9
109.02898	7.6
109.06564	1.2
109.10173	5.1
110.06017	1.3
111.08125	1.1
117.01866	1.5
117.07051	2.0
119.08574	4.4
121.06538	1.5
121.10136	4.6
123.11739	2.5
126.05549	1.4
127.03920	12.2
129.01817	1.2
129.06966	1.0
130.06561	1.1
131.06949	1.5
131.08595	3.3
133.10155	4.1
135.11716	3.8
137.05986	1.5
145.05009	3.3
145.10132	2.6
147.11717	3.4
148.07553	1.8
149.13312	1.7
151.11214	1.2
153.01869	1.4
159.02908	4.0
159.11722	1.8
161.13287	1.6
171.11670	1.3
175.14935	1.4
204.06595	4.9
205.06956	2.9
206.07092	1.2
234.18559	1.1
252.19661	2.1
253.21689	1.5
270.20987	2.0
274.09268	1.0
276.23279	4.8
288.21750	2.1
294.24252	5.8
303.05072	12.7
304.05368	17.7
305.05566	15.3
306.05881	11.8
310.11530	1.1
312.25305	5.1
320.05005	2.0
321.28864	0.9
330.26437	9.5
348.27490	30.4
366.28528	63.7
367.29007	1.4
408.29608	2.0
451.11752	1.3
480.29752	1.0
480.43149	1.0
524.28931	1.2
528.34058	2.7
552.34082	2.6
570.34973	7.1
578.30743	2.1
596.32690	10.2
614.33856	87.2
615.24731	1.2
615.34338	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	613.4829
Annotation	1.3-dilinolenin
Peak:m/z	Relative Intensity
53.03941	3.6
55.01850	1.6
55.05518	16.7
57.03429	4.6
57.07071	3.3
63.91187	1.1
65.03941	3.1
67.05508	46.8
69.07070	20.3
79.05500	27.8
81.07064	55.0
83.04977	1.4
83.08623	10.0
85.06551	2.0
91.05490	21.6
93.07050	34.3
95.04970	2.2
95.08614	43.3
97.06519	4.3
97.10188	3.9
99.08111	1.5
105.04558	1.4
105.07037	24.5
106.72959	1.3
107.08597	21.6
109.10163	20.2
111.11742	1.5
111.13017	1.3
117.07033	10.5
119.08594	21.7
121.10157	21.5
123.11703	10.1
125.09648	1.6
129.07014	3.5
131.08580	20.6
133.10149	18.1
135.11713	13.0
137.05923	2.0
137.13260	3.9
143.08563	5.8
145.10144	15.3
147.11705	12.2
149.13272	9.5
151.14815	1.4
157.10214	6.3
159.11710	14.0
161.13261	9.2
163.14841	4.0
163.54570	1.4
169.10118	2.6
171.11752	4.7
173.13295	11.9
175.14841	6.6
177.16371	1.8
183.11696	1.9
185.13342	4.1
187.14796	6.5
189.16476	1.6
191.18059	2.6
197.13286	1.4
199.14845	3.7
201.16454	4.2
203.17976	1.6
215.17972	2.0
217.19499	1.9
231.21210	1.8
241.19597	4.0
243.21155	2.1
248.71806	1.3
259.20636	10.5
261.22122	9.0
273.22125	1.4
274.81738	1.3
277.21796	1.6
323.25711	1.6
333.24429	4.9
335.25842	16.4
337.27240	7.6
465.75525	1.3
477.35794	1.4
489.35818	3.7
521.43402	6.9
539.44586	4.1
543.40649	1.7
595.47345	12.7
613.48322	100.0
614.48151	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	614.245
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.3
55.05528	0.3
67.05511	0.4
68.61487	0.3
69.03415	0.4
69.86395	0.3
70.80703	0.7
71.04990	0.2
72.09599	0.3
79.05505	0.5
81.07061	0.5
83.05002	0.4
85.02907	0.3
91.05476	0.8
93.07074	0.4
95.04976	0.7
103.05445	0.4
104.05001	0.4
105.07058	1.5
107.04959	0.6
108.04497	0.4
109.06515	0.4
109.10118	0.2
115.05476	0.5
117.05772	5.5
117.06627	0.3
117.07034	0.8
119.08588	0.8
121.06507	0.8
122.06052	0.4
128.06197	0.6
129.07001	0.7
130.06546	1.0
130.63116	0.3
131.04912	0.4
131.07326	2.4
131.08492	0.5
132.04443	0.9
132.08101	25.5
133.06477	0.7
135.04446	0.3
135.08096	0.4
136.07588	0.5
137.05991	0.5
142.07785	0.7
143.08594	0.4
145.05243	3.0
145.06505	1.7
145.10121	0.6
146.05907	0.4
147.08057	0.5
150.05544	0.4
155.08568	0.4
157.10109	0.4
159.08092	0.8
160.07594	44.3
161.05986	1.1
161.08105	0.3
161.09584	0.7
163.06360	0.3
163.07588	1.6
167.07097	0.4
173.05968	0.6
173.09674	1.7
175.07591	0.7
175.11272	0.3
177.09081	0.4
178.08647	54.9
179.09026	0.4
183.07986	0.4
185.09625	0.6
187.07541	0.7
188.07079	1.7
189.05495	0.5
189.09172	0.6
190.08614	0.4
191.07126	0.7
199.07527	0.4
201.09132	1.8
203.07068	0.5
203.10730	0.6
206.08142	100.0
207.08485	0.9
213.09174	0.8
217.08615	0.6
219.10170	0.8
224.09201	18.0
229.08626	1.1
231.10254	0.6
234.11385	0.6
247.09677	0.7
259.09732	0.7
262.10767	6.9
277.10852	0.5
280.11838	4.9
280.14676	0.5
295.11652	0.6
434.15912	0.5
436.80939	0.3
452.17297	0.5
457.58011	0.3
470.18478	0.5
488.19241	1.8
500.19171	0.8
506.20294	1.8
518.20093	1.6
530.20099	0.7
536.21564	2.0
548.21185	1.6
554.22534	0.7
560.21625	1.3
566.22357	0.7
578.22333	4.9
596.23419	38.4
597.23730	0.8
614.24463	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	613.4826
Annotation	1.3-dilinolenin
Peak:m/z	Relative Intensity
53.03935	3.3
54.93195	1.1
55.01894	1.5
55.05514	20.9
57.03439	7.3
57.07064	4.8
62.83692	1.0
65.03948	3.6
67.05505	61.6
69.07069	20.5
71.04980	2.5
71.92908	1.1
79.05495	36.9
81.07058	62.9
82.47002	1.2
83.04970	1.5
83.08615	10.8
85.06535	2.0
86.23091	1.2
87.30792	1.3
90.41482	1.5
91.05481	29.7
93.07045	48.3
95.04955	2.4
95.08607	47.7
97.06538	3.3
97.10161	5.7
103.77068	1.3
105.04552	1.3
105.07034	29.0
107.08600	25.3
109.06512	1.5
109.10164	24.7
111.08118	1.5
117.07024	10.8
119.08589	32.7
121.10141	22.7
123.08060	2.5
123.11688	11.2
128.06197	1.7
129.07011	4.9
131.08571	26.7
133.10130	23.7
135.11699	19.2
137.09593	1.5
137.13243	3.4
139.11224	1.7
143.08530	7.1
145.10136	22.0
147.11699	15.4
149.13266	10.1
151.14795	1.9
155.08636	1.5
156.09273	1.6
157.10143	6.8
159.11690	16.2
161.13264	12.7
163.11006	1.2
163.14880	3.8
169.10118	2.1
171.11650	9.4
173.13269	15.2
175.14824	7.1
177.16425	2.0
182.10979	1.2
183.11710	2.3
185.13304	6.8
187.14861	7.7
189.16405	3.3
197.13332	2.3
199.14856	3.4
201.16409	4.2
203.18123	2.3
211.14810	1.4
213.16458	3.6
215.17967	1.9
241.19672	2.9
243.21126	4.1
247.20621	1.8
255.21379	1.6
259.20663	11.0
261.22156	14.2
273.22229	2.0
299.23734	1.8
317.24902	2.3
327.26791	2.0
333.24234	5.8
335.25809	15.6
337.27390	11.2
347.25839	1.4
355.29904	1.6
489.35568	1.7
503.37091	1.8
521.43250	6.9
539.44678	2.8
543.40485	1.5
595.47180	12.0
613.48285	100.0
614.48676	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	613.4832
Annotation	1.3-dilinolenin
Peak:m/z	Relative Intensity
53.03952	2.4
55.01871	3.0
55.05515	18.0
57.03446	6.6
57.07078	7.0
65.03939	3.2
67.05511	61.2
69.07074	21.5
71.08631	1.8
71.52649	1.5
71.63853	1.2
74.39861	1.2
75.04467	1.3
79.05499	32.0
81.07059	69.3
83.04980	2.0
83.08625	11.8
85.06580	3.1
91.05476	24.3
93.07056	38.5
95.05006	3.4
95.08612	49.3
97.06567	3.5
97.10192	5.7
105.07040	25.1
107.08599	28.9
107.09293	1.4
109.06542	4.4
109.10161	29.1
109.10849	2.4
111.04474	4.4
111.08131	2.3
117.07017	9.8
119.08587	21.7
121.10149	22.4
123.08085	2.6
123.11737	10.3
125.09692	1.9
129.07048	5.6
131.08565	18.4
131.09360	1.4
133.10144	21.0
135.08134	1.4
135.11696	16.0
137.05989	23.2
137.13293	5.3
139.11195	1.3
143.08551	8.6
145.10121	19.5
147.08170	1.4
147.11702	19.5
149.13309	9.1
151.07632	2.4
151.14795	1.8
155.08591	2.9
157.10172	6.4
159.11699	14.4
161.13235	9.7
163.14842	3.6
169.10233	2.9
171.11754	7.6
173.13281	10.2
175.11247	1.9
175.14876	6.1
177.16418	1.7
185.13338	5.1
187.14845	8.9
189.16548	2.4
191.18062	1.5
195.11865	1.8
197.13284	1.7
199.14932	3.9
201.16489	4.2
203.18102	3.9
213.16472	4.5
217.19508	2.0
227.18108	2.4
229.19576	1.6
231.17493	3.6
233.19020	1.5
236.63676	1.4
241.19626	4.0
249.18585	3.8
249.77354	1.8
253.19710	1.6
254.05902	1.4
259.20584	7.6
261.22125	12.3
263.23874	2.1
277.17990	15.9
277.21060	1.9
285.22278	1.7
287.23938	1.8
295.19159	2.8
311.54559	1.5
317.24707	1.5
321.24371	1.5
331.26611	1.5
333.24478	5.5
335.25806	13.7
337.27231	8.0
360.13483	1.5
503.37329	2.2
521.43640	7.0
539.44690	3.8
595.47040	9.7
613.48407	100.0
614.48938	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	612.4477
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	31.5
57.03439	21.4
57.07072	17.6
66.27807	9.9
67.05509	90.6
69.07072	27.9
69.43478	94.0
71.08616	12.2
79.05500	69.9
81.03429	79.8
81.07069	100.0
82.07389	12.1
83.08613	38.1
87.04454	16.8
91.05450	56.4
93.07034	81.3
95.04954	28.3
95.08617	66.1
96.08937	16.3
105.07027	49.1
107.08590	35.5
109.10153	30.4
111.84695	10.0
117.07017	24.0
119.08581	43.3
120.08950	13.6
121.10125	23.9
127.21612	11.7
129.07007	17.8
131.08565	32.9
133.10175	20.0
135.11736	19.8
145.10138	20.2
147.11699	37.3
149.09651	14.9
157.10109	14.3
159.11707	20.8
161.35628	11.2
173.13190	14.4
187.27734	11.3
193.12143	13.8
261.22278	22.4
262.22473	11.6
267.15924	80.3
296.53827	11.2
335.25922	74.3
409.01334	12.3
527.37018	45.7
545.38129	24.5
590.19586	11.3
594.26587	14.6
612.27484	25.4
612.47272	81.4
612.56189	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	612.3232
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.3
54.01855	1.2
55.01875	3.4
55.05513	3.6
56.05037	4.2
57.03433	3.8
60.04531	84.3
61.02925	1.7
67.05508	10.8
69.03436	13.4
69.07078	2.8
71.01363	3.3
71.04999	5.1
71.51608	2.0
72.04516	3.1
73.02922	2.6
74.06077	3.9
79.04783	1.1
79.05515	9.8
80.05023	3.3
81.03423	15.6
81.07073	16.5
82.06588	3.0
83.05009	2.8
84.04514	2.8
85.02914	25.5
85.06545	3.6
86.06064	2.3
87.00842	5.8
87.04483	1.6
91.03954	1.2
91.05484	10.9
93.07047	10.1
94.06546	2.6
95.04973	4.5
95.08626	8.1
96.08134	1.6
97.02892	9.6
97.06549	2.3
99.04472	4.8
102.05547	2.8
104.07127	5.5
105.01826	1.6
105.07043	7.5
106.06587	1.7
107.04988	2.0
107.08640	5.9
109.02882	10.3
109.06516	3.0
109.10185	2.5
110.06098	2.0
111.08099	1.8
117.07043	4.2
118.06534	1.9
119.08595	4.6
120.04462	2.3
120.08106	3.7
121.06520	2.0
121.10183	2.9
123.08080	2.9
123.11768	1.6
127.03919	11.9
128.07112	2.1
130.06541	19.4
131.08583	3.6
133.05334	1.5
133.06532	2.1
133.10147	5.4
134.02391	4.1
135.08101	1.8
135.11705	2.4
137.06003	2.6
143.08575	1.6
145.04999	5.3
145.06482	3.6
145.10181	3.8
146.06041	4.0
147.08049	1.4
148.07588	31.5
148.08722	2.1
149.05994	2.5
149.13313	1.8
151.07608	2.1
153.01909	1.6
157.10164	1.6
159.02905	2.0
159.11711	2.5
161.06023	1.5
161.09735	1.4
161.13329	1.5
163.07642	1.8
173.06088	2.8
173.09618	2.3
173.13431	1.9
175.11443	1.3
175.14845	1.7
176.07086	21.2
177.05533	1.5
185.09630	2.2
189.05554	1.4
189.09068	2.0
201.09160	4.9
203.07260	1.3
204.06581	100.0
213.09270	1.3
217.08580	2.6
219.10287	2.1
222.07632	14.8
229.05138	1.4
229.08653	4.2
230.10294	1.4
231.05031	1.3
235.09634	2.0
247.09758	2.4
249.11334	2.5
266.12177	1.6
274.21741	1.9
277.10797	3.9
283.86084	1.3
284.22461	1.6
287.05554	13.3
288.05872	17.7
292.22830	2.1
295.11823	6.2
303.05048	21.9
304.05383	22.8
310.11444	3.7
310.23889	5.4
313.12839	2.2
328.24847	7.0
331.62369	1.4
346.25867	19.9
352.24835	1.5
364.26974	75.4
406.27945	2.0
432.15738	3.9
450.11334	2.6
466.10571	1.7
550.32574	2.5
568.33099	7.8
576.30200	2.2
594.31506	8.3
612.32300	83.8
613.32599	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	612.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.1
55.01872	0.6
57.03411	0.6
61.02931	1.0
67.05499	1.2
68.69160	0.5
69.03429	3.6
69.07061	1.3
70.95685	1.3
71.04981	0.7
71.27275	0.6
73.02895	0.7
78.03465	3.7
79.05489	2.0
80.05024	3.7
81.03423	1.6
81.07076	1.0
83.04966	0.9
85.02913	6.1
87.23116	0.4
91.05479	2.7
93.07056	1.8
95.04960	1.7
95.08597	1.0
96.04501	2.8
97.02913	2.4
97.06551	0.5
105.07018	4.6
106.02922	8.9
107.04940	1.8
107.08618	1.8
109.02892	0.9
109.06504	1.0
110.97836	0.5
113.37492	0.6
117.05773	2.0
117.07017	1.5
119.08591	2.1
121.06511	1.5
121.10146	1.4
124.03960	100.0
125.04305	0.9
127.03900	1.5
128.06248	1.3
129.07062	1.2
130.06517	0.9
131.04936	0.9
131.07352	1.0
131.08582	2.8
132.08096	8.5
133.06470	1.0
133.10178	1.5
135.08037	1.3
140.03403	1.1
143.08517	3.4
145.05156	1.1
145.06476	1.1
145.10126	5.6
147.08051	2.7
148.07649	0.7
149.09639	0.6
155.08578	0.9
157.10132	1.2
158.07254	0.9
159.08061	1.2
159.11664	1.3
160.06270	0.7
160.07591	14.8
160.08873	1.0
161.06067	0.8
161.09625	5.6
163.07509	0.8
163.11266	1.2
170.10945	0.6
171.08080	1.0
171.11707	1.1
173.09628	4.5
173.13269	1.3
175.11140	0.8
175.14839	0.6
178.08647	20.6
183.34462	0.5
185.13220	1.2
187.11180	0.5
189.09134	1.2
189.12779	0.9
191.10683	5.1
201.12741	1.1
203.14343	2.9
204.06602	1.5
206.08141	35.5
209.11703	1.2
213.12791	1.6
219.13789	1.4
222.07637	1.1
224.09175	1.7
231.13800	7.4
233.11777	0.7
248.12894	1.2
249.14899	4.2
251.12827	1.1
267.15952	0.6
309.16983	1.1
314.13940	2.0
332.15018	0.7
342.17059	0.9
354.17050	5.4
372.18121	2.9
374.16101	2.1
390.19119	6.8
432.20248	1.7
450.21268	15.4
546.19830	1.8
576.20685	0.8
594.12054	0.9
594.21808	19.5
595.22498	0.7
612.22638	7.2
613.82117	0.6
623.58014	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	612.2293
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24530	0.4
53.03938	0.7
55.01860	0.7
55.05519	0.6
56.05048	0.6
57.03442	0.6
58.06857	0.4
60.04533	9.1
61.02914	0.7
65.03967	0.6
67.05494	1.6
68.87430	0.4
68.99799	0.5
69.03442	2.1
69.07079	0.5
71.01363	2.6
71.05001	0.9
71.30112	0.9
72.04507	0.6
79.05470	1.4
80.05019	0.5
81.03401	1.4
81.07064	2.5
83.04978	0.8
85.02917	4.3
87.00831	0.8
91.05474	2.3
93.07026	1.6
95.04956	1.8
95.08614	1.7
97.02886	1.7
97.06509	0.6
99.04450	0.8
104.07104	0.6
105.07047	2.7
106.06535	0.7
107.04937	0.6
107.08621	0.8
109.02878	1.3
109.06509	0.7
110.06020	0.5
111.04475	0.5
115.05421	0.6
117.05713	0.4
117.07021	1.0
118.06524	1.4
119.04972	0.4
119.07329	0.8
119.08598	1.4
120.04476	1.5
120.08134	3.1
121.06512	1.8
121.10120	0.7
123.04434	0.4
124.04022	0.8
125.06009	0.5
127.03931	1.0
128.06218	0.6
130.06544	20.7
131.08580	1.4
133.05238	1.2
133.06511	1.3
133.10103	1.3
134.02393	5.7
134.07330	0.4
135.04384	0.9
135.08031	1.2
137.05989	1.2
142.07822	0.7
143.08569	0.8
145.04979	0.6
145.06483	3.2
145.10158	1.3
146.06035	5.1
147.08046	1.3
148.07590	32.7
149.05962	1.4
151.07506	0.7
153.01823	0.7
155.08604	0.6
157.10161	0.8
158.06041	0.8
158.07291	0.5
159.08035	1.4
161.05977	1.4
161.09592	1.3
163.04010	0.5
163.07565	1.7
165.01854	0.5
165.05505	0.5
171.08031	0.7
173.06079	2.0
173.09633	2.4
175.07555	1.3
176.07089	24.3
177.05455	0.6
179.06999	0.8
181.12318	0.5
183.08018	0.5
185.09637	1.2
186.37103	0.4
187.07512	0.7
187.62561	0.5
189.05455	1.4
189.09111	1.6
191.07057	1.7
191.10764	0.6
194.08188	0.4
201.05490	1.0
201.09126	4.0
203.07086	0.5
203.10718	1.2
204.06578	100.0
205.06886	1.3
205.08667	0.6
206.08229	0.4
207.10217	0.9
213.09096	1.4
217.08644	2.4
219.10165	1.8
222.07632	12.9
229.04977	0.5
229.08614	2.5
230.05287	0.7
231.10132	1.1
235.09695	1.8
237.11322	0.9
239.09148	1.0
247.09673	1.7
249.11217	1.8
259.09753	1.4
265.10690	0.9
267.69196	0.5
277.10739	4.6
287.05490	5.7
288.05856	7.9
295.11792	5.5
303.05051	8.6
304.05392	9.4
310.11273	0.5
313.12885	2.2
328.24911	0.8
346.25931	3.4
364.26981	7.4
373.14868	2.0
449.11060	0.7
450.11029	1.9
568.33282	0.7
594.22357	0.8
594.30994	2.1
612.22986	0.5
612.32397	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	612.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01860	0.3
53.69955	0.3
60.04514	0.3
65.03922	0.3
69.03432	0.4
70.42251	0.7
70.63205	0.3
79.05494	0.4
81.07084	0.4
83.04961	0.4
85.02885	0.5
91.05479	0.7
93.07048	0.7
95.04967	0.4
97.02883	0.5
98.05596	0.3
105.07018	1.0
107.04960	0.4
108.04469	0.6
115.05448	0.6
117.05774	6.1
117.07025	0.6
119.04951	0.5
119.08584	0.5
121.06483	0.7
122.06027	0.5
126.97639	0.3
127.86297	0.3
128.06235	0.3
129.07021	0.4
130.06519	1.3
131.04926	0.7
131.07320	2.1
132.04451	0.9
132.08107	24.4
135.04552	0.3
136.07535	0.7
137.05930	0.6
143.08551	0.4
145.05212	2.6
145.06474	0.8
147.04446	0.8
149.05971	0.7
157.91031	0.3
160.07594	41.1
161.05963	1.3
161.08002	0.5
163.07533	0.5
164.45206	0.3
165.05490	0.5
167.07043	0.8
177.05545	0.5
178.08649	52.1
179.09055	0.4
189.05450	0.6
206.08141	100.0
207.08495	1.2
217.08566	0.4
218.32399	0.3
224.09196	65.0
234.11292	0.7
243.51738	0.4
253.62083	0.3
254.29698	0.3
262.10818	2.8
275.08994	0.5
280.11749	2.5
287.05560	0.4
288.05844	0.5
293.10141	0.3
293.15344	0.4
302.38095	0.3
309.71692	0.3
311.16501	0.5
329.17474	0.5
399.97214	0.3
591.83081	0.3
594.21765	4.6
612.22864	10.8
613.23132	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	612.2295
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24336	0.4
67.05486	0.6
69.03434	0.8
69.48068	1.7
69.48502	1.7
83.04946	0.6
85.02907	1.1
91.05484	1.1
93.07028	1.0
95.04960	1.0
95.08608	0.6
97.02879	0.5
105.07040	1.8
107.04951	0.7
107.08607	0.8
109.06526	0.5
111.04456	0.8
115.05473	1.2
117.05761	7.9
121.06496	0.9
121.10093	0.4
123.04472	0.5
124.03942	1.8
130.06529	2.0
131.04985	0.5
131.07317	1.9
131.08530	0.6
132.04446	0.7
132.08104	30.5
133.06529	1.0
133.10143	0.6
133.86555	0.5
135.08127	0.5
135.11765	0.5
137.05991	0.7
145.05238	4.1
145.06406	0.9
145.10075	0.6
148.07600	1.4
149.06004	1.0
149.13313	0.5
159.08090	0.6
160.07600	58.2
161.05997	2.6
161.09682	0.7
164.39961	0.5
165.05600	0.7
173.09610	0.5
176.07034	0.5
177.05469	0.6
178.08655	62.2
179.07001	1.4
179.08882	0.7
188.07115	1.8
189.05493	1.9
189.09106	1.1
191.07196	0.7
201.09184	0.7
204.06575	3.3
206.08145	100.0
207.08507	1.5
217.08681	0.8
222.07672	0.7
224.09209	8.4
229.08719	0.7
234.11259	1.7
245.08208	0.6
260.70865	0.5
262.10773	13.9
262.13577	0.7
280.11810	5.7
287.05685	0.5
304.05289	0.6
492.30588	0.5
516.18854	0.5
534.19958	3.4
544.32550	0.6
546.20062	0.7
552.20697	1.3
558.19885	1.0
576.20502	3.4
594.21893	54.5
595.22272	1.6
612.22888	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	612.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
62.19933	0.3
67.05499	0.4
69.07076	0.3
70.06560	0.4
71.52280	0.4
79.05492	0.4
81.03410	0.3
81.07051	0.4
83.04957	0.5
85.02908	0.4
90.67253	0.2
91.05477	0.7
93.07065	0.4
95.04961	0.4
97.02893	0.3
102.51049	0.2
103.05457	0.3
104.04994	0.4
105.07047	0.6
108.04472	0.6
109.06540	0.3
115.05508	0.5
117.05770	5.9
117.07005	0.4
118.06565	0.4
121.06510	1.0
122.06034	0.5
123.04380	0.3
124.03906	0.3
129.07011	0.3
130.06546	1.4
131.04924	0.6
131.07303	2.1
131.08559	0.3
132.04451	1.1
132.08101	24.1
133.06503	0.5
135.08041	0.5
136.03885	0.3
136.07561	0.8
137.04828	0.3
137.05959	0.6
141.01938	0.2
145.05228	3.2
145.06456	0.8
145.10066	0.2
147.04433	0.5
148.64430	0.2
149.05994	0.6
158.06024	0.3
160.07594	41.7
161.05957	0.9
161.08022	0.5
163.07570	0.6
167.07079	1.3
168.07396	0.3
173.06001	0.4
173.09682	0.5
175.07562	0.3
177.05463	0.4
178.08646	55.6
179.07149	0.5
179.09036	0.6
181.04999	0.5
187.07574	0.3
189.05464	0.4
191.07053	0.5
201.09032	0.4
206.08141	100.0
207.08411	1.3
217.08554	0.3
224.09193	63.6
225.09605	0.6
229.08653	0.4
234.11404	0.3
243.69104	0.3
251.53331	0.3
262.10764	3.0
275.09238	0.3
278.10025	0.3
280.11835	2.0
287.05344	0.3
288.05771	0.4
293.10266	0.5
311.16455	0.3
446.82315	0.3
549.01477	0.2
594.21710	4.2
612.22925	8.7
613.23358	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	612.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.9
55.01867	0.9
55.05527	0.9
60.04520	1.2
60.35852	0.8
65.03954	0.7
69.03427	1.1
69.48941	0.7
69.55100	5.9
71.05013	1.3
71.47471	0.8
72.08163	1.2
79.05492	3.7
81.03414	1.2
83.04979	1.4
85.02909	3.0
91.05482	2.5
93.07043	0.9
95.04992	2.6
97.02881	0.9
103.05517	0.9
105.07036	3.2
106.06559	5.5
107.04987	1.2
107.08590	1.2
108.48539	0.7
109.02877	0.7
109.06563	1.3
110.11634	0.8
117.05774	1.2
117.07050	2.0
119.04977	1.1
119.08604	1.4
120.04493	1.9
120.08187	0.8
121.06530	2.0
124.03970	14.7
126.84383	0.7
128.06210	0.8
129.07033	1.2
130.06531	10.9
131.04938	1.0
131.07372	1.6
131.08560	1.2
132.04442	0.8
132.08125	4.7
133.05260	9.3
133.06381	1.1
133.10219	0.8
134.02415	1.6
134.06036	25.6
135.08093	1.4
137.06030	0.9
143.08595	1.0
145.06512	3.1
145.10158	1.7
147.08070	2.3
148.04025	0.9
148.07594	16.7
148.08734	1.4
149.06006	1.7
149.08003	0.8
149.09694	1.1
151.07596	1.0
155.08641	1.0
157.10056	1.2
158.06044	24.0
158.07240	1.1
159.08121	1.6
160.07626	1.7
161.05965	1.6
161.09656	1.2
163.07631	3.0
171.08121	0.9
173.06064	2.2
173.09660	2.9
175.07561	1.5
176.07091	65.9
177.09140	0.9
178.05234	0.8
183.08159	1.4
185.09700	1.4
186.05568	2.4
187.07571	1.4
189.09129	0.9
191.07156	1.2
194.08148	100.0
195.08449	1.6
201.09105	4.4
204.06581	26.2
205.06964	1.2
213.09181	1.4
222.07631	13.0
222.09630	1.2
229.08694	2.3
236.09230	1.3
240.08667	13.3
247.09830	1.6
249.15024	1.3
250.10770	11.0
259.09573	1.3
277.10764	1.0
287.05655	2.2
288.05905	1.4
295.11813	1.4
296.11389	5.5
303.05048	3.6
304.05341	5.7
458.18265	1.8
476.19189	1.8
486.17471	1.4
488.19308	2.3
500.19321	1.1
506.20551	3.2
516.18585	2.1
518.20490	1.3
524.21442	2.4
534.19897	3.8
546.19727	0.9
548.21472	4.6
552.20569	3.8
564.20886	2.9
566.22137	6.3
576.20874	2.3
584.23389	20.6
594.22113	6.9
612.22955	29.6
612.31500	1.4
613.23932	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	612.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.8
54.02948	0.5
55.01848	0.8
55.05501	0.5
57.03416	0.7
61.79070	0.5
67.05489	0.7
67.68549	0.5
69.03398	2.0
69.07043	0.6
70.06575	0.7
71.05015	0.7
71.51868	0.7
78.03425	1.6
79.05457	1.5
80.05008	1.0
81.07018	1.3
83.04964	1.6
84.04506	0.9
85.02912	3.5
91.05481	2.5
93.07012	1.5
95.04949	1.9
95.08576	0.8
96.04455	1.5
96.36019	0.4
97.02876	1.0
97.06456	0.6
103.05405	0.7
105.07039	3.2
106.02908	3.2
107.04903	1.4
107.08561	1.4
108.04450	0.6
109.02808	0.6
109.06468	1.1
109.10157	0.7
111.04482	0.6
115.05453	0.9
117.05773	6.7
117.06995	1.3
119.08534	1.3
121.06524	1.3
121.10153	0.9
122.06075	0.6
124.03963	39.8
125.05961	0.5
127.03938	0.7
128.06165	0.6
129.07005	0.7
130.06496	1.8
131.04909	0.8
131.07266	2.1
131.08533	1.7
132.04440	1.2
132.08098	27.0
133.06506	1.1
133.10147	1.0
135.04472	0.7
135.08061	0.8
136.07568	1.3
137.05943	1.0
140.03416	1.1
142.21024	0.5
143.08600	2.7
145.05188	3.7
145.06364	1.1
145.10103	3.7
147.08038	1.2
148.07594	0.8
149.05957	0.7
157.10143	0.9
159.08083	1.0
160.07591	51.0
161.05966	1.1
161.08072	0.4
161.09602	2.7
167.07063	0.7
171.08011	0.9
171.11681	0.8
173.09613	2.6
175.07486	0.7
176.07007	0.5
178.08641	64.2
179.08920	1.0
187.23624	0.6
188.07077	2.1
189.05511	0.7
189.09091	1.8
189.12708	0.7
191.10698	1.9
203.14310	1.0
204.06569	1.9
206.08139	100.0
207.08391	1.2
213.12503	0.7
217.08600	1.8
219.13861	0.5
222.07690	0.8
224.09172	4.1
231.13760	2.6
235.13306	0.8
249.14946	1.9
253.14259	0.8
262.10733	0.8
287.05405	1.6
288.05920	1.3
314.13702	0.6
325.11249	0.5
336.26450	0.5
354.17368	1.1
372.18057	1.1
390.19034	2.3
450.21231	5.7
528.18719	1.4
546.19885	6.4
558.09003	0.6
558.19983	0.7
564.21100	1.3
576.21173	2.8
594.21851	67.2
595.22534	2.7
612.22827	21.9
613.10095	0.5
613.22400	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.4673
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.9
55.01878	2.1
55.05273	1.4
55.05517	19.7
57.03224	0.8
57.03443	7.8
57.07064	3.8
65.03941	3.6
67.05508	55.9
67.92328	1.0
69.06731	1.6
69.07074	19.2
69.67439	6.2
71.04991	2.4
71.08629	1.1
77.03926	1.3
79.05495	40.9
81.07061	53.1
83.04982	1.4
83.08612	9.1
85.06554	2.6
91.04907	1.6
91.05486	40.2
93.07049	43.5
95.04951	3.0
95.08609	40.7
97.06543	4.0
97.10194	5.2
99.08119	1.7
103.05460	1.0
105.04568	2.3
105.07035	38.8
107.08599	22.7
109.10165	18.4
111.08086	2.3
117.07028	14.6
119.06119	1.0
119.08597	32.7
121.10155	21.9
123.11710	6.2
125.09647	1.4
128.06216	3.1
129.07025	10.4
130.07800	2.2
131.08578	26.3
133.10146	27.7
133.11108	2.0
135.11694	13.9
137.13283	2.2
139.11308	1.1
141.07016	3.8
143.08569	13.5
145.10130	25.8
147.11685	22.7
149.13277	7.0
155.08572	7.1
156.09381	2.6
157.10141	14.6
159.11697	22.4
161.13274	15.3
163.11185	1.0
163.14848	4.2
167.08597	1.2
169.10149	7.9
171.11697	13.6
173.11931	2.0
173.13280	15.8
175.11256	1.0
175.14865	7.4
179.14296	1.1
181.10118	2.3
182.10968	1.2
183.11691	7.0
184.12579	1.0
185.13264	11.0
187.14816	6.7
189.16438	2.6
195.11763	3.6
197.13229	7.6
199.14822	6.8
201.16331	4.6
202.56178	1.1
203.18066	2.0
205.24323	0.9
209.13268	2.8
211.14880	4.3
213.16405	4.3
215.18008	2.5
217.15886	1.2
223.14795	1.2
225.16452	2.2
227.18065	3.3
229.19435	1.8
231.21121	2.0
235.14893	1.3
237.16345	2.2
239.17981	2.4
241.19649	8.2
243.21034	1.3
253.19702	1.6
257.19064	4.3
259.20596	19.6
259.23410	1.1
261.22220	3.2
273.22186	1.0
275.20044	1.6
285.22183	1.0
297.22159	2.0
311.23523	1.6
313.25153	1.1
315.23413	1.7
317.24649	1.2
327.26974	1.1
333.24304	11.8
335.25833	20.8
335.29462	1.8
337.27640	1.3
369.27905	1.6
395.29367	1.3
501.41510	1.9
515.37061	1.3
519.41779	6.8
537.43311	4.8
593.45648	9.1
611.46735	100.0
612.47028	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	611.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
64.31390	1.1
66.46497	1.2
68.13400	1.1
73.04765	1.9
78.03456	16.0
80.05008	4.0
82.34742	1.1
83.04948	1.4
93.06995	1.5
96.04482	5.2
98.20728	3.0
98.80065	1.4
105.06995	2.2
106.02233	2.5
106.02918	39.5
117.07072	2.0
119.08600	2.3
124.03963	100.0
133.06490	1.6
135.08026	1.3
137.05865	1.5
147.08066	4.5
149.02405	7.0
149.03392	1.5
157.10182	1.7
159.08063	2.4
161.05972	1.4
164.02066	1.2
171.11667	2.4
173.09634	1.6
175.07520	8.3
175.11186	1.6
189.12701	1.4
193.04950	8.0
193.08603	17.4
199.11215	3.9
215.10672	1.6
217.12177	5.3
227.10670	2.4
233.11658	2.6
235.09702	12.0
237.07739	1.9
245.11813	8.2
271.70685	1.2
275.12692	1.8
287.05481	3.9
298.10709	2.2
303.05084	9.3
368.15054	3.6
385.09131	1.5
386.16098	1.4
399.45682	1.4
416.17105	17.7
428.17096	3.9
436.69769	1.3
446.17804	1.7
488.19244	9.5
577.13458	2.0
611.22046	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	611.1605
Annotation	Robinetin 3-rutinoside
Peak:m/z	Relative Intensity
53.03934	0.9
54.41755	0.4
54.75052	0.5
55.01867	0.9
55.05495	0.6
55.34006	0.4
57.03442	3.1
61.02927	1.2
67.05522	0.5
68.99816	0.4
69.03432	2.6
69.86005	1.0
69.86414	1.3
70.06578	0.4
71.04998	14.6
73.02909	1.7
75.04472	1.2
81.03411	1.2
81.07053	0.4
83.04974	1.3
85.02910	18.4
93.07047	0.4
94.18235	0.4
95.04971	0.5
96.03212	0.5
97.02897	2.3
99.04458	0.7
104.36348	0.4
105.07019	0.6
109.02885	1.4
111.00816	0.9
111.04449	0.5
121.02858	1.3
122.02334	0.4
125.09443	0.5
127.03923	1.9
129.05498	3.7
131.04921	0.9
133.10173	0.6
137.02365	3.8
137.05975	1.1
145.04974	0.9
147.04391	0.5
147.06595	1.0
147.11513	0.4
148.07584	1.5
149.02377	0.6
153.01863	4.0
158.05853	0.4
163.03864	0.7
165.01842	1.8
173.16714	0.4
176.07057	1.0
183.02821	0.7
194.08145	0.8
201.05449	1.7
204.06604	2.3
205.06982	1.4
229.04994	4.1
247.05927	0.7
257.04330	2.5
274.04605	1.3
285.03964	1.7
287.05508	4.9
301.68427	0.5
302.04120	1.4
303.05005	100.0
304.05319	1.9
315.04861	0.7
317.06583	13.0
343.77969	0.4
345.06058	1.5
390.05566	0.4
429.93188	0.5
449.10837	1.1
465.10474	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	611.1617
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.5
57.03438	0.8
59.53549	0.3
61.02925	1.0
62.25043	0.3
69.03445	2.5
69.14626	3.2
71.04991	0.9
73.02919	0.4
75.41623	0.3
79.08978	0.3
81.03420	0.9
85.02924	7.6
85.32980	0.3
91.03944	0.5
97.02904	2.2
98.20782	0.7
99.04508	0.4
101.45311	0.3
109.02893	1.2
111.00819	0.9
119.01883	0.3
121.02907	0.8
127.03922	1.4
129.05515	0.4
137.02365	2.9
145.04991	1.1
149.02347	0.5
153.01860	3.7
161.05983	0.4
163.03979	0.4
165.01872	2.3
176.06929	0.4
183.02905	0.7
201.05499	1.1
204.06633	0.8
211.04047	0.3
213.05661	0.4
219.06531	0.3
229.05016	2.7
237.64540	0.3
238.46724	0.3
247.06180	0.4
257.04523	3.2
274.04828	0.9
281.34259	0.3
285.03983	1.2
287.05554	8.1
288.42429	0.4
303.05042	100.0
304.05359	1.5
315.01428	0.3
398.54749	0.4
449.10889	4.2
450.10919	0.3
493.94409	0.4
615.42401	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	0.4
55.01867	0.3
57.03431	0.5
59.41755	0.2
61.02915	0.7
63.21890	0.2
68.16164	0.2
68.99792	0.2
69.03443	2.1
70.02061	0.2
70.05030	0.3
70.05419	0.4
73.02927	0.2
81.03432	1.3
85.02922	5.1
91.03957	0.3
97.02911	1.9
98.20661	0.2
99.04463	0.3
105.03395	0.3
107.04961	0.3
109.02855	0.6
111.00803	0.6
121.02882	2.0
123.70512	0.2
127.03960	1.1
133.02870	0.4
137.02316	0.6
140.79907	0.2
145.04991	0.9
145.06058	0.1
147.04410	0.6
153.01857	2.6
157.06477	0.3
165.01846	1.6
183.02928	0.7
185.06015	0.4
189.05421	0.2
213.05495	1.0
231.06580	0.6
241.04965	1.0
258.05392	0.9
259.05972	0.6
287.05539	100.0
288.05774	1.0
299.05487	0.2
303.05090	1.6
334.41241	0.2
431.92062	0.2
449.10843	6.3
459.08899	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1612
Annotation	Cyanin
Peak:m/z	Relative Intensity
53.03934	0.2
54.97246	0.1
57.03440	0.3
61.02933	3.9
68.99802	0.4
69.03432	0.8
71.05013	0.2
73.02929	0.9
81.03414	0.3
85.02914	3.6
91.03964	2.1
97.02901	2.0
99.04416	0.3
103.38378	0.1
105.03378	0.2
107.04961	0.2
109.02852	0.3
111.00830	0.6
121.02880	2.4
127.03926	0.8
133.02835	0.5
137.02339	0.5
145.03856	0.1
145.04938	0.4
145.06535	0.2
147.04405	0.5
151.28496	0.1
153.01840	3.1
154.69173	0.1
157.06458	0.3
161.02292	0.1
161.05940	0.1
165.01855	1.7
171.04428	0.2
183.02950	0.7
185.06050	0.5
197.05940	0.2
199.03839	0.1
206.23091	0.1
212.71652	0.1
213.05461	1.0
215.26488	0.1
217.05127	0.1
219.06783	0.1
229.04979	0.1
231.06461	0.6
241.04955	0.8
258.05298	0.8
259.06073	0.3
269.04449	0.2
280.10742	0.1
287.05518	100.0
288.05856	1.5
299.05621	0.2
303.05005	1.7
329.06500	0.2
353.06625	0.2
449.10876	6.6
450.11197	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1616
Annotation	Rutine
Peak:m/z	Relative Intensity
53.68193	0.3
55.05507	0.6
57.03448	2.4
57.50404	0.3
61.02934	1.8
66.96234	0.4
67.05510	0.4
68.99790	0.6
69.03426	0.7
69.07042	0.4
70.17653	1.0
70.92868	0.4
71.05006	10.3
73.02918	0.8
75.04459	0.4
76.44560	0.3
79.05490	0.6
81.03411	0.4
81.07060	0.6
83.05004	0.9
85.02918	15.3
91.03992	1.0
91.05465	0.4
93.07063	0.4
95.04960	0.7
95.08614	0.4
97.02895	1.5
97.06544	0.5
99.69469	0.4
100.36217	0.4
105.07021	0.8
107.04973	0.6
107.08607	0.8
109.06550	0.6
111.00835	1.2
111.04457	0.5
115.03930	0.9
117.07042	0.5
119.04823	0.3
121.02948	0.7
121.06503	0.9
122.06821	0.4
125.05979	1.0
127.03905	0.5
129.05498	3.9
137.02354	3.0
142.33119	0.3
143.07076	0.8
144.07375	0.5
145.04915	0.5
145.10129	1.3
146.10493	0.6
147.06538	1.0
153.01857	4.1
161.06015	0.5
163.03951	0.5
163.11168	2.8
164.11551	1.3
165.01866	1.8
166.02667	0.4
173.09637	1.0
174.10004	0.6
176.07062	0.6
183.02904	0.7
188.11591	0.5
191.10753	1.1
192.10988	0.5
201.05534	1.5
204.06601	1.0
205.06966	0.6
215.10687	0.7
216.11008	0.6
229.04999	3.6
233.11798	1.6
234.12086	2.1
247.06126	0.4
251.12805	1.0
252.13260	0.8
257.04468	2.5
270.14157	0.4
274.04810	0.7
285.03870	1.7
287.05536	6.7
303.05032	100.0
304.05353	2.0
345.05829	0.4
465.10229	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1615
Annotation	Rutine
Peak:m/z	Relative Intensity
55.01869	0.3
55.26423	0.2
57.03442	0.6
61.02933	2.4
68.99786	0.3
69.03440	1.5
70.29537	0.2
70.82428	0.5
71.04994	0.9
73.02916	0.8
81.03426	0.8
82.33251	0.2
85.02919	5.9
87.04514	0.2
88.22948	0.2
91.03961	1.7
95.05000	0.2
97.02904	1.9
99.04472	0.3
109.02876	0.8
111.00815	0.8
118.90434	0.2
121.02887	0.9
127.03967	1.0
129.05452	0.2
131.04961	0.3
135.04478	0.3
137.02367	2.5
145.04955	0.7
149.02393	0.3
153.01836	3.2
161.06007	0.3
163.03989	0.3
165.01866	2.1
166.02682	0.2
173.05997	0.3
183.02901	0.6
187.03838	0.3
201.05547	1.1
229.05023	3.6
243.85757	0.2
247.06071	0.7
257.04584	2.0
274.04718	0.9
285.04025	1.2
287.05582	5.1
303.05038	100.0
304.05414	1.8
319.04651	1.2
449.10843	5.0
465.10123	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68487	0.2
57.03448	0.4
59.51007	0.2
61.02931	3.8
65.75569	0.2
68.99805	0.4
69.03436	1.1
71.04977	0.4
73.02918	1.1
81.03419	0.3
85.02911	4.6
91.03966	2.2
96.25668	0.2
97.02901	2.1
98.20752	0.6
99.82641	0.2
109.02828	0.3
111.00793	0.6
111.37390	0.2
121.02872	2.3
127.03915	0.7
129.87352	0.2
130.54335	0.2
133.41602	0.2
137.02364	0.5
145.04964	0.6
145.06512	0.2
147.04402	0.7
153.01825	3.3
157.06459	0.4
165.01837	1.3
183.02905	0.6
185.05981	0.4
213.05492	1.1
229.05057	0.3
231.06531	0.5
241.04936	0.7
258.05264	0.8
259.06003	0.5
287.05515	100.0
288.05774	1.3
303.05008	11.5
323.23709	0.2
449.10837	7.5
465.09796	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.161
Annotation	Quercetin-3-O-beta-glucopyranosyl-7-O-alpha-rhamnopyranoside
Peak:m/z	Relative Intensity
50.49534	0.4
53.03911	0.5
55.44819	0.5
57.03440	2.4
61.02905	1.6
64.02903	0.4
68.56697	0.4
69.03406	1.9
70.67683	1.0
71.05000	10.2
73.02914	0.7
73.64320	0.4
73.72099	0.5
75.04500	0.5
81.03412	1.2
85.02913	18.7
87.04433	0.7
91.03946	1.1
97.02918	2.4
100.33015	0.5
109.02847	1.3
111.00788	1.2
120.46134	0.4
121.02882	2.4
121.41206	0.4
127.03893	1.2
129.05461	3.1
133.02858	0.5
137.02338	3.2
145.04953	1.0
147.04356	0.5
147.06544	0.4
153.01820	5.2
157.06483	0.6
163.03889	0.9
165.01855	2.5
166.08595	0.4
183.02890	1.3
199.91191	0.4
201.05460	1.3
213.05545	1.0
229.04997	3.4
241.05006	1.1
257.04532	2.8
258.05261	0.5
274.04807	0.8
285.03897	1.3
287.05521	77.9
288.05847	1.5
303.05014	100.0
304.05371	1.0
317.06897	0.7
345.06122	0.6
385.45480	0.5
449.10797	7.2
465.04337	0.7
465.10422	8.4
466.10843	0.4
539.94879	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	610.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	4.6
55.01871	7.2
55.05513	4.2
69.03422	4.5
69.07054	8.8
70.19186	5.1
70.19537	12.5
71.04995	10.5
79.05509	20.7
81.07077	18.1
83.04978	16.3
85.02921	23.5
85.06517	3.6
86.48343	3.4
91.05495	11.1
91.58670	3.3
93.07053	23.3
95.04972	8.6
95.08609	12.6
97.02913	8.5
97.06523	18.9
99.04460	11.9
105.07043	33.2
107.04976	11.1
107.08619	19.7
109.06538	13.8
109.10179	3.9
111.08094	5.6
117.07034	8.0
119.04976	5.7
119.08601	11.2
121.06535	26.9
121.10126	4.8
121.22984	3.4
122.52814	4.0
125.06034	23.6
130.06509	7.1
131.08559	7.6
131.90971	3.6
133.06516	5.1
135.08084	7.5
135.11710	9.0
137.06018	13.2
143.07060	17.4
145.10149	54.1
147.08029	5.2
147.11705	7.4
148.07614	7.2
151.07568	5.6
157.08678	5.3
158.07298	5.3
159.08133	4.5
159.11691	25.6
163.09096	3.6
163.11220	52.1
169.08665	3.6
169.10106	7.7
173.09639	38.1
176.07056	4.1
179.08594	5.1
181.12245	13.4
187.11208	43.8
189.12769	6.4
191.10704	17.3
194.08151	15.3
197.09660	13.6
200.01799	4.6
204.06578	20.5
205.12221	19.4
209.11769	6.6
214.67822	4.1
215.10712	47.3
222.07669	18.5
223.13298	6.8
227.12817	21.0
233.11737	90.9
251.12817	100.0
269.13812	31.5
287.05524	13.2
303.05023	65.5
487.81024	4.9
610.21558	5.2
638.10919	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1401
Annotation	Kaempferol 3-(6''-caffeoylglucoside)
Peak:m/z	Relative Intensity
53.03947	1.4
55.01867	1.6
56.96566	2.5
57.03435	1.2
59.66230	0.8
59.66531	0.8
61.02927	3.4
65.03937	1.3
67.05516	0.9
68.99794	7.4
69.03429	2.8
71.04991	3.0
71.50690	0.9
72.08147	1.6
73.02924	1.1
79.05510	0.9
81.03432	4.9
84.96032	1.3
85.02917	9.5
91.03948	1.0
91.05489	1.0
95.04984	2.0
97.02906	3.9
98.97607	4.7
99.04437	1.7
105.03381	1.3
107.04954	1.8
109.02876	3.9
110.97574	2.5
111.00820	8.2
111.04421	1.4
116.98679	1.8
121.02883	4.5
123.04437	14.4
127.03934	98.0
128.98633	1.7
133.02866	2.5
135.04414	3.2
137.02316	1.8
137.06027	1.2
139.03920	100.0
145.04974	1.6
145.06505	1.0
147.04433	7.3
149.02332	2.0
149.06081	1.1
151.03917	32.4
153.00670	0.9
153.01816	4.8
155.03479	1.8
157.06555	1.2
158.99667	1.9
159.04410	1.1
161.05962	2.0
163.03946	9.3
165.01807	1.2
165.05424	1.4
167.03424	3.7
167.07034	1.0
169.04971	2.0
170.99786	1.0
171.04449	1.4
173.06024	1.7
175.03947	15.6
177.05496	6.0
179.03419	36.6
179.58273	0.8
181.04947	4.4
183.02951	0.8
185.06018	2.8
189.05478	2.7
191.01947	1.0
191.03455	11.3
193.05014	3.5
195.06569	1.2
197.06023	1.2
199.04028	1.7
201.05476	3.9
203.03429	19.4
205.04982	2.4
213.05580	4.4
217.05081	3.9
219.01709	2.1
219.06534	1.6
229.05046	6.7
231.06544	3.5
231.09064	0.9
233.04501	6.4
237.02788	1.8
241.04948	3.8
245.04539	9.7
247.06032	1.8
251.05548	1.4
253.04999	1.1
257.04495	11.7
258.05331	1.8
259.06064	2.9
263.02939	1.2
263.05585	18.4
269.04465	2.8
271.06052	3.4
275.05551	13.7
277.09677	1.0
281.04239	0.9
287.05539	95.5
289.07104	2.5
299.05542	17.4
299.08954	1.0
303.05038	39.1
305.06558	9.2
307.08197	9.1
317.06604	16.5
319.07077	1.0
319.23715	0.9
323.05792	1.1
345.01117	0.9
425.08643	17.5
443.09882	9.4
449.10825	5.1
465.10223	1.9
467.09033	1.1
611.17139	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	610.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	5.3
55.05518	9.2
60.01081	4.6
60.18515	5.0
65.03954	5.7
69.03426	8.9
69.07063	10.8
70.06596	6.1
70.63205	4.5
71.04993	11.6
79.05496	18.8
81.03426	6.3
81.07059	27.6
83.04970	18.9
84.08173	7.6
85.02903	23.5
91.05480	18.2
91.15939	4.4
93.07028	29.6
95.04990	10.5
95.08606	17.0
97.02881	11.3
97.06534	21.6
99.04486	8.8
105.07047	44.9
107.04955	16.9
107.08614	24.9
109.06503	13.0
117.06989	9.9
119.04952	10.1
119.08567	6.2
120.03624	5.5
120.04481	6.0
121.06510	27.4
125.05972	18.7
128.06183	7.2
130.06552	14.8
131.04919	6.3
131.08598	6.8
133.06430	10.2
135.08070	10.5
135.11717	9.4
137.05988	21.1
138.05521	9.0
141.06989	6.3
143.07040	15.3
143.08548	10.5
145.10127	50.6
147.08029	5.9
147.11681	6.0
148.07588	26.2
149.05956	7.5
153.01923	5.9
157.08577	6.3
159.08084	9.4
159.11717	22.8
163.11192	65.9
169.08640	9.8
169.10075	7.6
169.39015	4.9
173.09608	42.5
176.07106	16.6
181.12283	16.1
187.11214	35.4
189.12912	6.8
191.10632	12.6
194.08116	73.2
197.09628	16.2
204.06561	81.0
205.12294	18.9
215.10683	46.6
222.07646	64.2
227.12813	30.3
233.11752	87.7
234.40025	5.6
251.12810	100.0
257.80777	5.4
269.13892	18.6
274.33835	5.4
287.05469	22.4
303.05130	36.2
326.23111	5.8
448.09879	5.7
515.76868	5.4
610.21100	17.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	610.2293
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01601	0.8
51.02377	1.8
53.00333	0.2
53.03709	0.4
53.03952	6.2
55.01874	0.6
55.05535	0.4
64.40012	0.2
65.20828	0.3
66.37222	0.2
67.05511	0.5
67.63985	0.2
69.03425	0.8
70.02036	0.7
70.02454	0.6
71.04975	0.3
73.04764	0.4
77.03931	1.6
78.03027	0.4
78.03462	5.5
79.05486	0.7
80.05029	5.3
81.03429	1.1
81.07066	0.4
82.99582	0.2
91.05461	1.6
93.07064	0.6
95.04985	6.9
95.08601	0.3
96.04510	4.6
98.21502	0.3
105.03407	100.0
105.04550	3.6
105.07020	1.3
106.02937	9.8
106.03714	0.9
107.04990	0.4
107.08611	0.3
109.06555	0.4
111.04440	0.3
112.85088	0.3
115.05473	0.4
117.06995	0.5
119.08592	1.3
121.06532	0.6
123.04449	0.3
123.08088	0.7
124.03970	87.7
125.04282	0.5
128.06224	0.8
129.07024	1.2
131.08600	1.8
133.06506	0.6
133.10156	0.5
135.08084	1.3
137.05975	0.3
139.95105	0.2
140.03448	0.3
141.07008	0.6
142.07835	0.4
143.08578	1.4
145.06552	0.6
145.10135	0.6
147.08070	2.6
147.11731	0.4
149.06007	3.0
149.09627	0.4
151.07452	0.3
155.08521	0.3
156.08243	0.3
156.09396	1.2
157.06558	0.7
157.10144	0.6
158.07315	0.3
159.08075	2.3
160.08759	0.3
161.06020	0.6
161.09650	0.9
163.07602	0.4
165.06995	0.3
166.07875	0.5
167.07120	0.4
171.08121	0.8
171.11673	1.5
173.09694	0.7
175.07512	1.4
175.11246	0.9
181.10135	0.7
184.08910	0.7
185.09691	0.5
187.07596	1.5
187.11140	1.2
189.09250	0.5
189.12744	1.1
193.08636	1.4
199.11209	3.2
201.09160	0.3
203.10794	0.7
205.08652	0.4
207.10492	0.3
209.08110	0.8
209.09843	0.3
215.10683	1.7
217.12289	3.8
227.10660	2.2
228.06659	0.7
233.11765	1.1
235.09717	1.5
235.13403	0.5
239.09430	0.3
245.11760	7.3
251.09279	0.6
263.12848	1.7
275.12891	0.5
285.01096	0.4
287.12881	0.4
305.13794	0.8
310.50842	0.3
322.14148	0.3
337.14185	0.3
355.07132	0.7
367.15631	0.6
368.14896	0.4
416.16943	0.3
427.17429	0.6
428.16849	0.3
472.17581	0.3
488.19000	0.5
512.43164	0.3
550.20746	7.8
568.21790	2.9
607.88092	0.3
610.22845	11.5
611.23486	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	610.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	5.7
57.28759	2.4
61.29209	2.6
63.65721	2.3
67.05505	8.2
68.14521	2.2
69.03425	10.1
69.07079	17.4
70.06603	4.7
70.42828	6.8
71.04995	7.0
72.05400	2.6
79.05501	19.8
81.03437	4.2
81.07069	13.0
83.04987	33.0
85.02892	12.7
85.06551	4.7
91.05492	12.7
93.07044	26.1
95.04976	8.4
95.08598	7.6
96.68546	2.7
97.02920	6.6
97.06549	30.7
99.04455	10.4
103.05491	3.9
105.07033	36.5
107.04953	13.5
107.08582	16.1
109.02858	3.1
109.06525	21.8
109.10135	4.8
111.04433	3.6
111.08083	2.8
117.07039	7.5
119.04949	12.2
119.08600	12.3
121.06512	28.8
121.10178	5.5
125.05993	51.2
127.03948	4.7
127.07591	5.9
127.50073	3.0
130.06609	3.6
130.07707	2.3
131.08606	13.0
133.06522	6.3
133.10153	3.8
134.06009	2.7
135.11662	4.7
137.05978	6.3
139.07552	11.8
143.07039	39.9
143.08366	4.4
143.08578	6.3
145.04900	2.8
145.06494	6.2
145.10129	65.5
147.11684	12.9
148.07567	6.6
149.05977	4.4
151.07542	7.1
155.08559	3.4
156.09311	2.8
157.08575	11.9
158.07260	4.3
159.08063	6.6
159.11708	28.1
163.11192	94.5
163.12564	5.1
169.10159	7.9
171.11659	3.3
173.09648	42.1
175.07494	3.0
176.06992	11.6
177.12773	8.6
182.07242	3.1
187.11194	50.4
189.12759	4.4
191.10663	21.6
194.08147	9.9
197.09645	8.0
204.06575	21.7
205.12245	57.2
205.14168	3.2
209.11771	4.0
211.09241	3.2
215.10704	61.4
223.13313	9.4
233.11737	100.0
251.12784	84.3
269.13858	53.5
287.05475	6.2
317.06586	2.9
610.20886	5.2
622.72314	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	610.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01592	0.8
51.02377	1.7
53.03946	7.8
54.69286	0.4
55.01874	0.5
70.93849	1.0
73.04760	1.3
76.84630	0.4
77.03935	1.9
78.03465	1.9
80.05013	1.2
81.03403	1.1
83.04984	1.3
91.05785	1.3
95.04977	8.9
95.08589	0.4
96.04506	1.5
105.03395	100.0
105.04528	4.0
105.78532	0.4
106.02917	4.1
106.03684	0.6
119.08571	0.4
124.03959	26.3
131.08583	0.9
135.08020	0.6
137.82295	0.4
159.08096	1.3
163.04507	0.4
163.07448	0.4
166.05000	0.7
175.07600	0.4
177.09161	0.8
187.07536	1.1
189.12613	0.4
205.08624	2.2
217.12253	0.9
227.10658	0.7
235.13306	0.5
245.11699	1.8
247.09543	0.5
263.12830	1.6
274.28824	0.4
299.06140	0.8
355.06860	1.7
568.21509	2.3
610.22778	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	610.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01592	0.7
51.02384	1.1
53.03949	5.0
55.01877	1.0
59.05003	0.6
65.16156	0.2
67.05505	0.4
69.03424	0.4
69.07055	0.2
70.10294	0.7
77.03928	1.9
78.03056	0.3
78.03454	1.8
79.04203	0.2
79.05486	0.5
80.05021	4.5
81.03439	0.9
81.07066	0.5
83.04982	0.8
85.06549	0.3
91.05484	1.3
93.07057	0.6
95.04976	6.3
95.08557	0.3
96.04501	3.2
97.06517	0.3
98.21521	0.2
105.03397	100.0
105.04534	3.7
105.06992	1.8
106.02913	1.7
106.03735	1.0
107.04939	0.4
107.08598	0.5
109.06530	0.7
115.05478	0.4
117.07023	0.4
119.08605	1.4
121.06509	0.9
123.04440	1.2
123.08076	0.6
124.03959	82.8
125.04285	0.4
125.05970	0.2
128.06181	0.4
129.07025	1.4
131.05113	0.2
131.08589	1.2
133.06512	1.7
133.10176	0.4
135.08063	0.8
137.02364	0.7
137.05980	0.9
141.06966	0.4
142.07800	0.6
143.08542	1.7
144.05705	0.2
145.02501	0.2
145.06485	0.8
145.10095	0.5
147.06949	0.3
147.08058	4.3
147.11696	0.4
149.05981	0.7
149.09576	0.3
151.07538	0.4
155.08571	0.4
156.09372	1.0
157.06499	0.8
157.10150	0.9
158.07350	0.3
159.08061	2.0
159.11691	0.4
160.05089	0.5
161.06088	1.0
161.09636	0.4
163.07556	0.9
165.09084	0.4
166.07822	0.3
169.06430	0.2
171.08078	0.7
171.11694	1.6
173.09601	0.7
174.06737	0.2
175.07555	12.0
175.11163	0.8
177.09135	1.0
181.10130	0.6
184.08780	0.4
185.09641	1.2
187.07591	1.5
187.11136	0.8
189.05453	0.3
189.09059	0.3
189.12791	1.6
191.10692	0.4
193.08614	18.1
197.09567	0.3
199.11188	4.5
199.59331	0.2
201.09137	0.7
201.12740	0.8
203.07155	0.3
203.10667	1.2
205.08675	1.0
205.12267	0.5
209.09625	0.3
212.08272	0.5
215.10741	3.6
217.08835	0.4
217.12254	5.9
227.10652	4.4
233.11751	4.0
235.09662	21.0
235.13374	0.8
236.10159	0.3
245.11745	12.5
247.09610	0.4
259.70364	0.2
263.12836	2.4
275.12778	1.1
279.10193	0.4
287.12817	0.3
297.11288	0.8
305.13809	1.6
309.11047	0.4
327.12271	0.4
337.14291	0.3
349.14349	0.5
355.15475	0.3
367.15390	0.8
368.15244	0.2
415.17572	3.3
427.17404	0.9
469.18433	0.2
550.20526	0.3
610.13281	0.3
610.22809	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	609.2717
Annotation	Epoxypheophorbide a
Peak:m/z	Relative Intensity
50.54138	0.6
67.05505	2.7
69.07058	0.9
69.23257	6.0
69.35925	0.7
78.88823	0.6
79.05503	1.5
81.07066	2.3
91.05505	1.6
93.07056	2.2
95.08638	2.0
102.23360	0.7
105.07039	1.8
109.10184	0.9
119.08564	1.1
121.10169	0.8
133.10149	1.0
145.10156	1.4
159.11797	0.8
169.26585	0.8
210.97992	0.7
230.84135	0.7
275.19992	1.5
320.91724	0.7
358.64328	0.7
383.58426	0.6
389.17798	1.5
391.19333	1.1
401.17725	1.0
403.19321	2.1
404.20267	1.0
405.21445	1.7
407.22266	1.0
415.19513	1.3
417.17041	1.9
417.21344	1.7
419.17642	0.9
419.22986	3.2
420.22998	1.3
430.18039	2.1
431.18686	2.2
431.23581	0.9
433.20126	6.4
435.21829	0.9
443.18677	2.0
444.19409	1.6
445.19989	7.9
446.21271	3.6
447.21854	6.5
448.22165	2.1
449.22729	1.9
457.20358	0.8
458.20972	5.2
459.21790	5.3
460.22635	3.4
462.20297	0.7
463.21146	1.9
473.23718	2.3
475.20978	1.7
476.22226	1.5
477.23108	1.5
478.23578	0.9
490.23480	1.5
503.24677	0.9
505.22647	2.7
517.22260	1.1
518.23102	2.7
519.23895	9.0
521.23450	1.6
531.24609	1.6
549.24951	10.2
550.25061	0.7
581.27039	0.8
591.26086	9.1
609.27063	100.0
609.44659	2.5
610.27515	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	610.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	0.4
61.02949	0.3
65.03948	0.3
67.05469	0.3
71.32190	0.5
72.08154	0.3
75.73376	0.3
78.03452	0.4
79.05516	0.6
83.04964	0.4
85.02914	0.9
91.05486	1.1
92.05017	0.7
93.07053	0.7
95.04977	0.6
97.02883	0.3
103.05489	0.5
105.07040	0.7
106.06564	0.6
107.04990	0.5
109.06567	0.5
110.06062	0.3
115.05405	0.3
117.05779	0.6
117.07001	0.4
118.06560	2.2
119.07339	1.0
120.04488	1.9
120.08119	2.6
121.06524	0.7
123.04437	0.4
124.03964	1.0
130.06534	21.0
131.04948	0.5
132.08066	0.4
133.05255	1.4
134.02373	5.3
134.03328	0.4
137.05949	1.0
140.03458	0.4
145.06490	0.5
145.10146	0.5
146.06003	5.0
147.04373	0.3
148.07579	35.0
149.05942	0.5
149.07843	0.3
150.05417	0.3
151.07567	0.4
152.03445	0.3
158.06013	1.3
158.07185	0.3
158.22903	0.3
159.07948	0.3
161.05974	0.8
163.07483	0.3
165.84065	0.2
173.09837	0.3
175.07578	0.5
176.07076	23.8
177.05525	0.6
177.07480	0.3
178.06238	0.5
179.07080	0.5
181.04991	0.3
189.05473	0.5
191.06973	0.4
201.09183	0.7
204.06572	100.0
205.06863	1.1
207.06389	0.4
217.08527	0.4
222.07625	7.6
229.08626	0.5
237.07562	0.7
245.08087	0.4
247.09702	0.4
257.08124	0.3
263.22708	0.3
275.09286	0.4
287.05463	1.9
293.10217	0.6
303.04984	1.9
311.49280	0.3
330.94159	0.3
407.27039	0.3
496.15854	0.4
514.17700	0.4
556.18121	0.9
574.19458	2.1
589.93835	0.3
592.20239	5.0
610.20300	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2711
Annotation	Epoxypheophorbide a
Peak:m/z	Relative Intensity
55.31189	0.3
65.69585	0.4
67.05496	0.9
69.07087	0.5
70.21534	1.1
70.21939	0.6
79.05498	0.9
81.07053	0.9
83.08596	0.5
91.05491	0.6
93.07041	0.8
95.08620	0.9
105.07055	0.7
107.08610	0.5
109.10164	0.5
119.08598	1.0
121.10160	0.4
129.06967	0.3
145.10147	0.8
176.78830	0.3
257.19034	0.4
275.20258	0.4
389.18222	0.5
391.19373	0.8
403.19601	0.8
405.21149	1.0
406.75497	0.4
415.18939	1.2
416.20306	0.6
417.16623	0.5
417.21503	0.6
418.21823	0.5
419.18054	0.7
419.22595	1.1
420.23914	0.5
428.19983	0.6
429.20883	3.5
430.21698	0.7
431.18558	1.1
433.19617	1.2
433.24072	1.6
434.20929	0.7
435.21698	0.8
443.22177	1.3
444.23291	1.6
445.24512	0.8
446.10559	0.4
446.20691	0.4
447.17133	0.6
447.21982	1.6
448.23242	0.4
449.23492	1.0
457.19910	0.8
458.24921	0.8
459.21472	4.8
460.22839	2.3
461.19308	2.1
461.23804	2.6
462.19870	2.1
463.21487	1.1
472.22617	2.7
473.23303	1.6
474.24747	0.5
475.20541	0.6
475.25009	1.4
476.22238	3.1
477.22629	2.5
485.23291	1.4
487.24960	3.8
489.23224	1.8
492.25345	0.7
503.24780	2.1
505.26010	0.5
518.23810	0.5
519.23859	1.8
521.21320	3.0
531.23987	20.6
532.24493	1.5
534.22821	0.5
549.25018	12.9
563.26361	1.1
591.25934	2.9
609.27087	100.0
610.27411	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	609.2711
Annotation	Epoxypheophorbide a
Peak:m/z	Relative Intensity
51.01866	0.6
52.96421	0.6
55.01875	1.0
55.05510	1.9
57.03445	0.7
67.05508	4.8
69.07063	2.2
70.16455	2.8
79.05491	6.0
81.07061	4.1
89.06016	0.6
91.05470	3.5
93.07043	3.6
95.04967	0.8
95.08610	4.1
97.06526	1.1
105.07050	3.4
107.08608	1.9
109.10159	1.7
117.07011	1.5
119.08575	1.3
121.10168	1.6
127.12733	0.7
127.32315	0.6
129.06956	0.8
131.08601	2.2
133.10153	1.9
135.11754	1.0
143.08600	0.8
145.10144	2.5
147.11684	1.5
148.15230	0.8
149.09624	1.5
159.11757	0.8
169.10118	1.0
171.11717	0.8
197.13232	1.0
201.73543	0.7
206.45639	0.7
229.28676	0.9
251.15385	1.0
257.19046	1.5
275.20062	2.4
281.81158	0.8
363.28299	0.7
389.18536	1.0
390.18280	0.8
391.19196	1.9
392.20068	1.5
404.20493	1.1
405.20792	3.1
406.21716	2.4
407.22394	2.6
415.19342	1.2
418.21698	0.7
419.18442	1.5
421.24017	3.1
427.19339	0.9
429.20749	2.1
430.21710	1.4
431.18527	1.2
433.20319	1.5
442.21869	0.8
445.20563	0.9
447.17490	1.3
449.23688	1.0
457.24231	0.9
459.22217	1.8
460.22626	1.3
461.19025	5.0
462.20456	0.9
463.21533	1.9
472.22437	1.0
473.19611	1.2
475.20667	6.8
476.21957	5.9
477.22385	4.0
485.23941	5.1
486.20636	1.9
488.22150	1.1
489.22998	5.2
494.26547	1.0
499.21106	3.0
500.21869	1.6
503.24564	7.1
504.25043	1.1
505.21375	1.0
507.24219	0.8
513.22992	2.0
515.24426	5.4
515.92804	0.8
517.22247	1.8
521.25018	3.0
531.23859	9.4
535.23456	1.1
549.25049	2.4
550.25732	4.0
559.23694	4.2
563.26318	1.3
577.24353	2.0
591.26044	13.6
609.27112	100.0
609.44904	8.6
610.27783	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	609.2713
Annotation	Epoxypheophorbide a
Peak:m/z	Relative Intensity
55.05510	0.7
57.04398	0.3
57.07059	0.5
67.05514	2.3
69.07057	0.9
70.75407	0.6
70.75739	0.6
71.08625	0.3
79.05501	1.8
81.07063	2.4
83.05002	0.4
83.08599	0.4
91.05470	1.4
93.07038	1.7
95.08619	1.7
98.35230	0.3
105.07064	1.5
107.08598	1.1
109.06535	0.5
109.10167	0.6
117.07010	0.7
119.08593	1.4
121.10146	1.0
123.08143	0.4
123.11715	0.4
129.07057	0.3
131.08557	0.7
133.10165	0.9
137.06020	1.1
138.06378	0.5
143.08551	0.7
145.10146	1.3
147.11661	0.4
157.10156	0.6
159.11725	1.1
163.11223	0.4
169.10138	0.4
171.11710	0.6
172.03972	0.3
173.13277	0.6
183.11913	0.3
197.13271	0.3
209.10968	0.4
239.11916	0.3
275.20038	1.1
277.18106	0.4
278.18472	0.5
335.25851	0.5
349.16046	0.4
362.14999	0.3
363.16315	0.4
365.17795	0.3
375.16544	0.4
376.17029	0.9
377.17664	2.0
378.18481	0.6
379.19168	0.9
389.17813	0.5
390.18494	1.4
391.15768	0.4
391.19385	4.1
392.20200	2.2
393.20834	2.0
403.19513	0.6
404.16037	0.9
404.20673	0.5
405.16498	4.7
405.21051	1.6
406.17252	1.6
406.22510	0.5
407.22473	6.5
417.17178	0.7
418.17270	1.7
419.18448	6.2
420.19193	2.5
421.20169	2.8
431.18643	0.5
432.19965	0.4
433.16293	3.4
433.21350	4.6
434.21243	4.8
435.21835	11.4
436.22849	0.6
446.21564	0.6
447.18256	4.3
447.22803	1.4
448.17923	1.9
449.19498	2.5
451.21359	0.4
461.19006	2.7
462.20456	8.7
463.21280	6.4
475.21402	3.0
476.22165	0.8
479.20816	1.1
489.22968	1.7
490.23041	0.4
493.22656	0.6
493.26804	0.5
494.22937	0.4
506.23587	0.5
507.20407	1.2
508.24411	0.5
517.22180	0.9
520.21063	0.4
521.25702	10.3
534.22723	0.6
549.25031	28.6
550.25488	0.8
577.24127	0.8
581.27777	1.5
609.27100	100.0
609.44690	2.9
610.27618	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	609.182
Annotation	Isorhamnetin 3-rhamnosyl-(1->2)-rhamnoside
Peak:m/z	Relative Intensity
51.02389	0.2
51.41460	0.2
52.05145	0.2
55.01862	0.3
57.03445	2.7
61.78284	0.2
69.63394	1.5
69.63735	0.2
71.05001	18.1
73.02914	0.4
75.04468	0.5
77.62131	0.3
83.04995	0.5
85.02914	17.1
87.14330	0.2
92.02638	0.5
93.03427	0.5
95.26539	0.2
97.44571	0.2
98.21580	0.3
106.31427	0.3
111.04466	0.3
114.73574	0.3
121.02874	0.6
126.03115	0.3
129.05513	4.0
139.03912	0.6
147.06586	0.4
151.03941	0.5
153.01855	5.0
165.01907	0.6
201.05516	0.3
217.05055	0.4
218.05777	0.3
228.04227	0.7
229.05022	2.0
245.04497	0.5
246.05199	1.3
257.04486	2.2
273.03955	1.4
274.04767	3.7
285.03967	3.7
302.04233	10.6
317.06595	100.0
318.06967	1.4
318.10168	0.3
463.12411	6.8
477.48819	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1539
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09300	0.5
55.01868	0.5
56.96299	0.9
56.96570	13.1
59.73359	0.4
69.03454	1.2
69.69427	1.9
69.69839	1.2
70.98131	0.7
71.01372	1.0
71.95264	0.7
82.99860	1.0
84.96035	4.7
85.01428	1.4
85.02913	2.4
87.04498	1.1
97.01417	0.9
97.02906	1.7
98.97598	45.6
100.64264	0.5
101.00893	6.1
102.97118	0.6
103.02460	1.6
110.97583	11.5
111.02992	0.6
112.99145	18.3
113.00868	3.4
115.00729	2.7
115.02442	9.3
116.98627	9.0
119.01928	4.4
124.99133	0.8
127.00767	1.2
127.02441	1.6
128.98618	5.9
129.02275	9.4
129.03944	4.1
131.00206	9.7
131.01866	4.6
133.01794	1.5
133.03481	11.9
134.99638	0.8
137.00845	1.1
139.02428	0.7
140.98611	1.1
141.02258	4.2
141.03915	2.8
143.00182	2.7
143.01898	5.2
144.98116	0.9
145.01765	1.4
145.03484	3.4
145.04930	0.9
146.99681	1.1
147.01411	0.7
147.03288	4.9
147.05043	5.7
147.92233	0.5
149.01242	1.9
152.98648	1.3
153.03996	2.0
155.01923	9.3
155.03128	0.7
156.02693	1.0
156.98122	1.2
157.01730	0.7
157.03493	5.4
158.99686	10.4
159.03336	15.3
159.05060	7.7
161.01242	0.6
161.02992	3.0
165.04216	0.9
167.02086	0.9
167.05605	0.6
169.03490	2.9
170.99678	3.2
171.03336	4.7
171.05075	7.8
173.01276	3.8
173.03011	4.3
174.99207	0.8
175.02815	1.2
175.04541	1.4
177.00848	3.9
177.04396	25.4
177.06116	8.8
179.01985	3.1
182.99699	0.6
183.03328	4.8
183.05081	6.1
185.03041	2.2
185.06535	2.7
186.99300	0.6
187.02846	1.4
187.04504	1.1
189.00783	1.5
189.04385	3.0
189.06107	1.4
191.02283	1.5
193.03610	1.2
195.05400	6.2
195.07193	2.8
197.02980	3.1
197.06677	0.9
199.02876	0.6
199.04614	1.3
201.00719	4.4
201.04396	11.1
201.06142	2.9
203.04062	5.3
203.05840	0.8
203.07693	1.0
205.03831	1.5
205.05615	0.7
207.05029	1.6
209.01286	0.8
211.04626	1.5
213.06126	2.0
215.07724	0.7
218.06516	1.2
219.01811	25.9
219.05367	4.5
219.07211	21.4
221.05130	9.3
223.04732	0.6
223.06720	0.6
225.06165	1.6
229.05878	0.7
231.05457	1.3
231.07204	24.2
233.06847	0.9
233.08829	5.1
237.02838	17.0
237.06465	0.8
243.05521	2.0
244.07944	0.6
245.05103	13.6
245.08870	1.1
251.04456	1.8
255.04695	0.5
255.07216	8.6
259.06836	1.1
261.06149	1.3
261.08298	2.6
263.06366	0.7
271.05884	0.7
273.08356	6.5
275.04425	2.4
277.05954	0.6
291.09665	0.6
293.05460	1.8
293.10806	1.2
303.07397	0.9
305.10983	1.0
321.10162	100.0
322.10709	3.2
337.08099	1.2
339.09561	28.6
345.01407	0.7
347.31738	0.5
349.08115	4.6
362.11746	0.7
367.09122	4.4
381.10489	0.6
407.08902	0.6
421.10483	1.1
433.10605	2.5
440.24280	0.5
447.10031	0.7
449.10052	3.0
451.11102	0.6
488.83533	0.5
609.13849	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	609.132
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96300	1.7
56.96571	26.0
57.03447	1.4
59.04985	0.9
61.02935	1.1
69.03412	2.2
71.01365	1.7
71.05003	1.2
84.96033	7.8
85.01423	1.2
85.02925	5.0
86.97656	1.1
87.04443	1.1
92.29977	1.0
97.02908	3.6
98.97592	77.8
100.99169	1.8
101.00894	7.0
107.10085	0.9
110.97587	23.3
112.99152	28.4
113.00883	4.5
115.00712	6.5
115.02444	9.6
116.98631	16.8
119.01918	4.1
124.99136	2.4
127.00742	2.1
127.02433	2.2
127.03918	1.4
128.16508	0.9
128.98622	11.1
129.02264	15.8
129.03999	4.3
131.00188	16.1
131.01852	5.2
133.01752	3.3
133.03470	13.2
134.99692	1.8
137.00885	1.5
140.98615	2.1
141.02254	8.2
141.03984	2.9
143.00186	4.6
143.01886	5.9
143.05608	1.6
144.98111	0.9
145.01691	1.8
145.03473	4.2
145.04970	1.9
146.99690	2.9
147.03296	7.6
147.05055	5.1
149.01250	2.7
152.98610	2.6
153.04092	1.6
155.01909	9.5
156.98132	2.7
157.01697	1.8
157.03497	6.8
158.99683	19.8
159.03326	29.2
159.05049	6.9
161.01221	2.4
161.02997	2.8
161.06578	1.2
167.05682	1.3
169.03474	1.9
170.99673	5.5
171.03317	7.1
171.05067	8.4
173.01405	5.5
173.02745	5.0
173.06712	1.1
174.99147	1.7
175.02776	2.5
175.04491	2.1
177.00812	6.5
177.04395	48.4
177.06085	8.4
179.02036	3.3
180.63513	1.0
182.99684	1.8
183.03357	8.1
183.05051	5.4
185.01379	1.4
185.03001	3.0
185.06648	2.7
186.99219	1.4
187.02904	2.2
187.04584	1.6
189.00703	2.3
189.04407	5.1
189.06004	1.8
191.02309	2.5
193.03601	2.3
195.05432	10.0
195.07201	2.9
195.40384	0.9
197.03050	3.7
197.06607	1.3
198.99043	1.1
201.00751	9.7
201.04417	18.7
201.06146	2.7
203.03947	5.6
203.07626	1.9
205.03886	3.5
205.05769	1.2
209.01036	1.1
213.04201	1.3
213.06119	1.8
219.01790	45.4
219.05379	10.6
219.07210	21.8
221.05112	8.0
223.06717	1.2
225.04092	1.4
225.06195	2.1
231.05296	1.8
231.07208	22.1
232.99701	1.1
233.03427	1.4
233.06810	1.6
233.08798	5.4
237.02832	32.1
243.05511	4.0
245.05110	13.6
246.05107	1.2
247.04947	1.7
251.04469	3.8
253.04822	1.2
255.07312	7.3
259.06723	2.9
261.06494	4.4
261.08795	1.7
271.05676	1.9
273.08414	6.4
275.04370	2.9
293.05377	2.9
293.10898	1.9
303.07391	1.6
305.10861	1.6
319.07083	1.4
321.08850	100.0
321.10056	98.3
322.10278	2.1
323.06567	1.2
333.05280	1.1
337.08072	1.6
339.09601	51.7
345.01254	1.5
349.08020	8.4
365.99203	1.0
367.09119	8.9
383.88452	1.0
406.92722	1.1
409.10318	1.2
421.10278	1.1
433.10342	5.6
437.09705	1.5
442.45514	1.1
445.60657	1.1
449.09903	6.1
451.11279	1.3
469.12341	1.5
479.11432	1.2
539.12616	1.2
541.40393	1.2
609.13599	53.6
610.13660	1.5
617.65808	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.3483
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95348	3.6
53.03944	11.6
55.01852	5.0
55.05514	27.1
57.03428	8.4
62.01285	5.0
65.03938	8.5
67.05174	8.3
67.05508	79.1
68.59025	4.3
69.03436	23.3
69.07080	26.7
71.03204	12.7
71.04990	9.6
79.05500	57.4
81.03419	70.8
81.07059	100.0
83.04977	11.4
83.08639	25.4
85.02918	8.7
85.06541	9.2
91.05493	38.9
93.07051	59.4
95.04956	12.3
95.08588	29.4
97.02885	13.7
97.06516	14.9
97.10201	5.1
99.04474	12.8
105.07032	21.1
107.04939	6.2
107.08604	31.9
109.02876	7.6
109.06511	5.6
109.10171	11.3
111.04454	14.7
111.08096	6.9
115.11447	5.0
117.07030	18.6
119.08577	14.7
121.06585	6.1
121.10174	16.7
123.11709	12.1
127.03930	9.6
129.07011	9.7
129.60684	5.2
131.08588	15.5
133.06482	4.7
133.10136	11.9
135.11699	11.2
147.11700	12.5
149.13264	30.0
157.10150	5.5
159.11699	17.0
165.12729	7.8
177.12779	10.3
195.12276	5.7
195.13817	32.3
215.29866	5.0
219.93062	4.8
269.17526	15.4
300.85455	4.7
321.16962	6.9
339.18051	16.1
395.20496	8.6
445.29343	6.7
463.30441	7.4
541.45056	5.2
589.33936	9.7
607.35010	96.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.3483
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	14.6
55.01873	5.1
55.05523	29.3
57.03427	6.9
57.07073	3.4
60.20884	2.1
65.03934	3.7
67.05511	65.5
68.44032	2.9
69.03439	17.0
69.07078	23.0
69.91721	13.0
70.06597	2.8
71.04991	5.7
79.05500	47.1
81.03429	68.3
81.07064	96.2
83.04977	15.9
83.08630	18.5
85.02905	8.9
85.06551	4.2
91.05486	41.0
93.07052	63.3
95.04991	15.3
95.08608	27.1
97.02894	12.9
97.06530	12.6
99.04464	6.1
105.07040	24.0
107.04974	6.6
107.08604	32.3
109.02895	8.4
109.06530	5.2
109.10170	7.0
111.04456	8.9
117.07036	15.8
119.08552	14.4
121.06501	4.4
121.10159	15.8
123.08034	3.1
123.11746	7.7
127.03920	9.8
129.07024	4.6
131.04973	3.6
131.08578	19.0
133.10114	13.0
135.11714	10.4
143.08574	4.9
147.08058	3.6
147.11694	14.4
149.13281	18.1
155.08493	3.1
157.10133	5.8
159.11705	11.9
161.09575	2.9
163.11180	3.2
165.12810	2.9
169.10257	3.8
171.08153	3.0
173.04535	3.4
177.12779	6.8
191.37683	2.5
195.13811	18.7
213.14938	3.6
242.92607	2.6
267.16046	4.3
269.17569	11.5
297.17245	2.6
303.16110	3.3
321.17072	7.1
339.18167	11.2
375.62265	3.0
395.20786	7.3
445.29639	6.6
463.30545	14.4
589.33643	6.5
607.34833	100.0
608.34021	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	607.3486
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	12.9
55.01886	5.2
55.05523	24.0
57.03445	6.7
57.07100	1.4
58.63849	1.7
63.60333	1.5
65.03941	5.7
67.05515	70.4
69.03437	18.2
69.07079	23.3
69.20498	1.5
71.01367	3.6
71.04993	9.2
71.51559	1.9
72.08153	1.4
79.05507	57.2
81.03430	69.5
81.07066	100.0
81.16097	1.5
83.04996	17.0
83.08630	13.2
85.02900	8.6
85.06557	5.1
91.05497	39.0
91.25983	1.5
93.07056	61.3
95.04995	10.9
95.08621	28.4
97.02899	14.8
97.06559	11.3
99.04475	3.5
99.08129	3.5
104.43008	1.7
105.04509	3.2
105.07053	22.9
107.04971	6.2
107.08605	35.5
109.02887	15.7
109.06542	5.2
109.10176	3.8
111.04461	11.7
111.08072	5.4
115.05463	1.9
117.07037	14.2
119.08601	13.1
121.06525	3.7
121.10165	17.1
123.04478	2.2
123.08127	3.3
123.11712	7.7
127.03905	10.2
128.06308	2.2
129.07045	5.8
131.04907	2.2
131.08582	17.8
133.06514	3.6
133.10167	13.7
135.08063	4.0
135.11714	8.6
141.06993	2.0
143.08574	3.1
145.06490	2.5
145.10147	4.6
147.08086	2.6
147.11684	12.5
149.09634	2.9
149.13280	24.4
149.14383	1.9
151.11108	1.9
157.10185	4.5
159.11714	12.6
161.13300	2.5
165.12769	5.1
171.11757	2.5
173.04579	2.0
173.13274	1.6
175.11218	2.4
177.12744	9.0
183.06552	2.4
183.11635	1.4
193.12306	2.3
195.13846	23.4
197.13258	1.6
198.67207	1.6
201.12816	1.8
211.13351	1.9
213.14882	3.4
219.13855	2.0
229.14366	1.4
261.14944	2.3
267.16028	5.6
269.17416	13.1
293.17480	1.8
297.17065	1.9
303.15918	2.4
321.17035	6.3
339.18079	13.9
377.19693	2.7
395.20657	15.3
445.29630	5.4
463.30655	14.3
479.29889	1.8
569.31042	1.6
571.32599	2.1
589.34064	4.9
607.34888	92.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2559
Annotation	Trigonosin B
Peak:m/z	Relative Intensity
61.99654	0.4
67.05502	0.9
81.07058	0.9
89.13355	0.5
91.05509	0.9
93.07047	0.7
104.79682	0.4
108.70952	0.5
111.36507	0.4
120.93023	0.5
129.07100	0.5
149.13167	0.6
155.41156	0.4
165.42146	0.5
166.33629	0.5
279.82327	0.4
312.29666	0.5
317.96628	0.4
374.15497	0.5
375.15887	0.7
388.16864	1.1
389.17566	3.4
390.18524	1.2
391.19446	0.7
401.17755	1.1
402.14224	0.5
402.18872	0.8
403.19354	5.6
404.20078	1.7
405.16162	0.6
405.20911	2.4
415.19815	0.7
416.16309	1.1
417.17130	4.0
417.21152	2.8
418.17300	1.1
418.22147	1.0
419.22495	6.2
420.23123	0.8
429.16962	0.6
430.17636	0.8
431.18420	7.8
432.19376	2.7
433.20148	4.2
435.22354	0.6
445.20108	4.9
446.21051	6.5
447.21780	7.5
459.18188	2.0
459.22919	1.1
460.18961	0.9
461.19754	2.0
473.19080	0.6
473.24240	1.0
474.20566	5.4
475.20859	4.3
477.23376	0.8
487.21375	1.5
488.22186	0.6
491.20013	2.8
501.23090	0.8
505.22620	1.0
519.24109	16.8
547.23419	12.4
561.24707	0.6
579.26111	5.2
607.25580	100.0
608.26111	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2912
Annotation	13-epi-Phaeophorbide a methyl ester
Peak:m/z	Relative Intensity
54.33084	0.3
65.37560	0.4
111.09120	0.4
148.01552	0.4
169.61958	0.5
180.86186	0.4
253.90169	0.4
278.18369	0.4
293.06131	0.4
388.16922	0.5
389.17755	0.8
401.17746	1.1
402.18365	0.5
403.18896	2.2
404.20065	0.8
405.20752	1.6
415.19632	0.7
416.20444	1.0
417.16202	1.0
417.21429	3.1
418.21436	1.3
419.22412	3.4
430.17984	1.2
431.18228	6.3
432.19495	1.5
433.24200	7.5
434.24738	1.2
444.19305	0.6
445.19788	7.9
446.20746	4.0
447.21683	4.1
459.21362	3.7
460.22534	14.3
461.23383	12.9
473.23639	3.5
474.24112	1.8
477.23117	0.7
487.25293	2.4
488.26007	0.6
491.24872	0.9
492.25806	0.7
505.21469	3.5
506.26895	0.6
515.24854	0.8
518.22943	0.5
519.24243	1.9
519.27197	1.5
532.24689	1.1
533.25397	0.7
547.27081	34.8
548.27545	1.6
575.26666	0.9
578.24207	0.5
579.29773	0.8
583.40192	0.5
591.44775	0.4
607.29169	100.0
608.29510	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	607.2911
Annotation	13-epi-Phaeophorbide a methyl ester
Peak:m/z	Relative Intensity
55.70407	0.4
63.62991	0.3
71.00439	0.8
73.36649	0.4
73.41497	0.4
115.74184	0.4
116.54519	0.4
118.06440	0.4
171.40334	0.5
374.15884	0.4
387.16174	1.0
388.16864	0.8
389.17639	1.5
401.17850	1.6
402.18311	2.1
403.19278	5.9
404.19986	1.5
405.20911	1.7
415.19537	1.0
416.19910	1.8
417.16629	1.4
417.21463	5.1
418.21573	3.7
419.22467	4.1
429.21149	0.9
430.17899	1.7
431.18146	10.0
431.23608	0.9
432.19244	1.5
432.23950	0.9
433.23981	10.1
434.24600	1.2
444.19119	1.0
445.19669	11.7
445.25534	0.5
446.20892	5.5
447.21771	4.5
458.20938	0.8
459.21457	6.2
460.16843	0.3
460.22479	11.7
461.23337	13.0
461.29669	0.7
473.23654	3.4
474.24170	1.3
477.23041	0.8
487.25220	1.2
489.23154	0.6
505.21677	2.3
505.63058	0.5
506.27075	0.5
515.24207	0.6
519.27100	1.4
532.24457	1.0
547.27069	43.0
548.27570	1.4
575.26788	0.9
578.25671	0.5
579.29425	0.5
607.29144	100.0
608.29364	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2551
Annotation	Trigonosin B
Peak:m/z	Relative Intensity
58.95626	0.3
61.87785	0.3
71.01760	0.8
86.10107	0.3
98.21144	0.4
112.74632	0.3
173.74332	0.4
223.12318	0.6
374.15381	0.5
375.16254	0.9
376.17667	0.4
387.16217	0.7
388.16949	0.8
389.17749	2.6
390.18570	1.2
391.19211	1.3
401.18140	0.7
402.18640	1.0
403.15558	0.3
403.19391	4.5
404.20319	1.8
405.20724	2.8
416.16324	1.1
417.16324	3.7
417.21280	1.7
418.17514	0.9
418.21841	1.1
419.22504	5.3
420.23251	0.6
420.94763	0.4
429.16476	0.3
430.17621	0.7
431.18289	6.6
431.23587	0.7
432.19263	2.6
433.20181	3.3
434.21255	0.4
444.19562	0.6
445.20264	4.5
446.21088	6.7
447.21750	7.4
448.22763	0.7
459.17419	0.6
459.21964	1.5
460.18753	0.6
461.19257	1.5
462.24606	0.4
463.20667	0.6
473.19110	0.5
473.23938	0.6
474.20364	4.6
475.21185	3.8
477.22833	0.4
478.23889	0.6
487.21429	1.6
490.23560	0.4
491.21155	2.1
501.23245	1.0
504.21808	0.6
519.24207	14.3
532.21234	0.4
547.23401	11.1
548.23804	0.6
551.26526	0.6
564.24695	0.3
579.26196	5.4
607.25574	100.0
608.25891	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	607.2561
Annotation	Unknow
Peak:m/z	Relative Intensity
64.89296	0.3
69.28087	3.0
72.64760	0.3
98.20798	0.8
123.05513	0.3
132.07985	0.5
133.10071	0.5
209.10757	0.7
233.10736	0.4
235.12418	0.5
249.10147	0.5
300.14893	0.4
324.15076	0.4
334.13486	0.4
375.16269	0.8
387.16141	1.6
388.17087	1.7
389.17706	4.7
390.18698	1.6
391.19156	1.2
399.16418	0.4
401.17999	0.7
402.19046	2.0
403.15701	0.8
403.19568	6.2
404.20129	3.2
405.20901	4.2
411.88437	0.5
415.14938	0.6
415.19751	0.5
416.15836	1.6
417.16205	5.7
417.21158	3.3
418.17447	1.1
418.21591	1.5
419.22528	8.6
420.23203	1.2
429.17017	1.0
430.17908	1.2
431.18411	10.1
432.19211	3.6
433.20020	3.3
435.21930	0.5
441.16919	0.6
443.18784	0.5
444.19699	0.6
445.20309	8.1
446.21115	8.5
447.21823	11.4
448.22562	1.0
457.20584	0.6
458.21387	0.4
459.17990	1.9
459.22339	1.7
460.18253	1.7
461.19437	1.6
462.24808	0.6
463.25906	1.6
473.18509	1.6
473.24783	0.5
474.20557	12.0
475.21265	12.4
476.21890	1.3
477.23163	0.9
478.23428	0.7
487.21658	2.8
488.22144	0.8
489.19638	0.4
490.23917	2.2
491.20752	2.1
491.25424	1.1
501.23074	1.9
502.23709	0.5
503.20828	0.4
505.22476	0.7
506.23233	0.4
518.23401	0.7
519.24207	13.4
520.24786	0.7
529.22784	0.5
532.20868	0.6
547.23511	73.7
548.23810	2.7
561.25122	1.9
579.26123	5.2
583.77582	0.4
589.24561	1.1
607.25616	100.0
608.26099	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	607.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	2.4
55.01864	3.5
59.04989	5.1
67.05510	2.6
69.03442	11.6
70.09085	2.3
71.04954	2.9
72.08158	5.4
79.05515	3.1
81.03429	5.9
81.07069	5.6
83.04996	4.7
85.02924	15.6
85.90296	2.1
87.00829	5.6
90.84991	2.6
91.05476	6.0
93.07048	7.0
95.04951	4.3
95.08609	4.9
97.02864	7.3
98.21522	5.2
103.05470	4.3
105.07022	8.9
107.04977	4.1
107.08638	3.2
109.02872	3.6
109.06499	4.6
109.10108	4.3
117.07059	2.8
119.08584	6.2
121.02839	2.9
123.04440	22.2
123.08077	2.6
127.03905	5.0
127.22845	2.6
129.07022	12.9
131.04959	6.2
131.08598	11.6
133.10156	4.6
135.08037	9.3
137.02423	5.0
137.05966	6.8
143.08606	3.6
145.06508	3.4
145.10086	3.8
147.04398	9.4
147.08061	18.8
149.06013	5.2
151.07582	3.3
157.06480	9.8
159.08061	17.2
159.11736	4.0
161.09596	2.8
163.07542	12.8
165.05525	16.6
169.10149	2.9
171.11626	3.0
175.07558	44.3
177.09113	16.3
179.06985	2.7
179.14334	2.3
187.07567	9.5
187.11185	5.8
189.09035	2.6
189.12788	3.1
191.10632	3.0
193.08612	100.0
197.09715	3.2
199.11107	5.4
205.08592	24.8
205.12244	14.5
209.08086	3.2
213.03926	2.7
215.10681	5.8
217.12279	5.2
223.09683	10.4
227.10638	3.5
233.11755	30.3
235.09685	65.1
235.13223	4.1
245.11838	3.9
251.12837	8.6
263.12689	11.2
265.10757	2.9
287.05527	5.4
293.13815	8.1
323.14896	18.9
324.99023	2.3
329.59189	2.5
341.16016	8.2
347.39063	2.4
359.17020	7.3
359.32953	4.1
509.76981	2.6
607.22070	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	607.2397
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	2.6
55.01880	3.5
57.03443	3.3
69.03451	13.1
70.06625	1.7
70.73566	1.5
71.05004	1.9
71.51656	1.9
78.04722	4.0
79.05496	8.6
81.03425	6.9
81.07079	1.8
84.08161	2.4
85.02917	22.1
87.04436	1.6
91.05505	6.7
95.04988	5.1
95.08681	1.7
97.02903	7.5
99.04456	1.9
103.05505	4.8
105.07031	14.4
106.04249	1.8
107.04983	12.8
109.02903	3.3
109.06573	1.9
115.05467	5.5
117.07085	2.0
117.48101	1.6
119.08595	3.3
123.04472	8.8
124.05224	3.5
125.05981	2.0
127.03957	4.3
128.06229	3.1
129.07054	10.3
131.04971	9.8
131.08633	2.4
132.05708	4.2
133.06517	8.3
135.58435	1.4
137.06020	3.0
140.04686	2.8
145.05098	2.1
147.04425	3.3
147.08061	3.7
152.04663	2.9
153.05502	3.9
155.07065	2.5
159.08052	9.9
160.05309	1.9
161.05989	14.8
165.09230	2.2
167.07072	100.0
168.07480	1.6
172.05258	5.0
175.07588	34.7
176.04794	2.2
177.05524	1.9
177.09184	2.3
178.07828	2.0
183.82390	1.7
187.07576	25.3
189.07109	2.5
189.09172	6.2
191.07091	11.2
191.08582	2.6
193.08694	8.1
199.07570	17.0
201.09073	2.7
202.07816	2.3
203.08594	5.2
205.06662	1.8
206.07417	2.5
209.08128	3.1
215.08681	3.3
217.08574	1.9
218.07451	5.7
219.08086	5.6
221.09721	5.6
231.08072	5.1
233.09653	5.3
234.06915	3.5
235.07591	5.0
237.09238	2.4
241.10693	2.9
245.05965	2.1
247.07489	3.1
248.08313	2.6
249.09177	9.2
250.10034	3.7
251.07076	4.1
259.07602	3.9
260.08331	2.0
261.09186	7.7
263.07184	4.4
263.10519	1.8
265.08658	5.1
265.11884	4.0
267.12296	2.1
273.09402	2.0
275.06967	2.9
276.07843	2.7
277.08530	8.4
278.09433	2.8
279.06589	1.7
279.09897	1.9
281.11853	11.5
283.09799	2.3
287.05551	4.5
289.08679	6.5
291.06711	2.9
291.10211	4.4
293.08289	3.6
293.11740	3.6
294.08817	3.9
295.09778	2.9
297.11450	3.1
305.08014	2.4
306.08920	6.7
307.09665	3.2
309.11313	14.4
310.12054	2.7
315.13385	3.7
320.10535	3.7
321.11227	20.9
322.12054	1.9
323.09286	3.8
323.12851	2.6
325.14468	2.1
326.11539	20.8
337.10654	4.6
338.11569	8.3
339.12460	3.9
340.13104	21.6
341.13867	59.0
351.12360	2.8
352.13190	15.5
353.13947	20.6
355.15579	1.8
395.15237	2.8
415.17780	9.3
427.17471	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	607.1943
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27380	2.1
52.83288	1.7
56.96567	16.1
57.03433	5.3
61.02917	6.2
64.38058	1.8
65.22647	1.8
69.03432	13.9
71.01340	2.6
71.04986	2.6
71.49583	3.6
73.02917	6.2
81.03428	4.1
82.99839	3.6
83.04983	2.0
84.96060	4.4
85.02917	28.8
86.06065	2.4
87.04465	4.1
97.01446	2.1
97.02914	13.8
98.97591	43.4
99.04453	4.3
100.99127	2.5
101.00889	30.5
102.96847	4.5
110.97574	11.8
112.99144	6.2
113.00887	3.6
113.02377	2.2
115.02418	4.6
116.98619	15.0
119.01925	45.6
119.04985	2.9
120.02098	1.9
127.00627	1.9
127.02387	2.1
127.03901	11.7
128.98624	9.1
131.00159	5.6
131.01892	9.0
133.03465	10.0
134.99594	2.8
137.02968	2.4
137.05986	4.5
139.02435	6.6
139.03902	5.1
143.00180	4.8
143.01923	12.0
145.01753	3.0
145.03517	9.6
145.04973	7.8
146.99675	2.8
147.03268	2.7
147.04433	6.6
149.01260	3.6
155.01875	6.4
156.98061	2.6
157.01624	2.5
157.03482	51.7
158.99664	8.3
159.03159	3.8
161.01266	7.2
161.02971	9.6
161.05969	3.1
163.02766	4.0
163.04189	2.7
167.07098	4.0
168.98116	1.9
169.03487	9.4
170.99673	5.0
171.05057	2.5
173.01254	6.4
173.02939	6.3
174.99094	3.8
175.02832	6.0
175.04521	28.4
177.00722	7.0
179.02246	7.8
182.03412	3.1
183.01605	3.1
185.01265	2.2
185.02950	5.6
186.99162	3.0
187.00713	2.1
187.02911	1.9
187.04526	6.4
189.00687	3.1
189.06102	4.4
191.02258	2.9
191.03958	2.3
191.45299	2.1
193.00294	2.2
193.03799	2.8
196.08220	2.0
197.03163	7.5
197.06644	2.3
199.01007	2.1
199.02733	4.7
199.04536	6.0
201.00723	6.6
201.06027	4.4
203.04021	5.7
205.03841	2.6
205.05565	9.3
211.04640	3.0
213.00604	3.6
213.06123	2.0
217.03850	5.5
219.01805	11.2
219.07091	4.3
221.03287	6.3
221.05138	5.3
223.06653	86.5
224.06813	2.4
225.02641	4.3
228.31961	2.2
231.01759	3.0
231.07205	2.6
234.00243	2.0
237.02751	10.7
239.04469	9.2
241.07741	9.6
245.05122	11.6
246.05295	2.8
246.08226	2.6
247.06866	3.2
247.60683	2.3
249.08281	2.0
261.02780	3.2
265.07742	100.0
266.08017	2.7
271.05963	2.3
272.06567	3.2
275.04254	2.1
277.07913	2.5
277.11328	4.7
281.07123	5.8
283.06656	2.2
285.01096	2.4
287.05124	2.7
291.09158	3.2
293.10956	12.6
295.08896	18.7
307.06787	2.2
309.06647	11.4
318.10690	2.7
319.00931	6.4
319.08438	3.4
321.10394	24.6
323.10071	3.9
333.04700	2.3
337.08429	6.6
339.11487	11.7
345.01318	2.4
353.06848	3.2
367.10825	4.5
368.11121	2.5
371.04626	3.4
373.05594	4.2
381.12595	11.0
383.08679	3.4
387.02313	2.3
387.07645	2.4
405.12698	4.2
415.08902	2.4
425.11450	16.1
431.24768	2.1
436.12054	2.3
441.09335	2.2
447.13547	9.4
497.15286	2.2
607.16406	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	607.1662
Annotation	Kaempferol 3-(3''-acetyl-alpha-L-arabinofuranoside)-7-rhamnoside
Peak:m/z	Relative Intensity
57.03435	1.6
61.02922	1.2
61.42399	0.2
62.09230	0.2
68.99819	0.5
69.03433	10.7
69.29926	0.5
69.30328	1.7
71.04996	0.7
79.05460	0.3
85.02901	1.3
90.01263	0.2
91.05482	0.2
96.92394	0.2
97.02901	9.8
99.38013	0.2
103.03963	0.3
103.05453	0.3
109.02860	0.2
111.00806	0.6
115.03938	8.3
121.02857	2.0
127.03900	0.2
128.06995	0.2
131.04915	0.5
133.02863	0.4
137.02332	0.3
147.04448	0.5
153.01859	2.0
157.04965	1.3
157.06244	0.2
165.01872	1.4
165.09029	0.2
175.06100	1.4
183.02901	0.6
213.05519	0.8
231.06593	0.5
241.04991	0.6
258.05212	0.8
287.05515	100.0
288.05820	1.2
299.05515	0.9
365.06549	0.3
433.11359	6.2
461.10855	0.4
498.62531	0.2
541.43665	0.2
570.25653	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.2767
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	1.3
57.07082	1.3
67.05505	2.7
69.07075	1.3
70.90306	0.9
71.52877	1.0
79.05537	1.0
81.07076	3.2
87.04446	1.0
91.05485	2.3
93.07051	1.6
95.08639	2.4
105.67912	0.9
127.86127	1.1
139.05716	0.9
161.09416	1.0
313.27518	1.7
391.71219	1.0
400.16870	1.3
401.17532	3.4
402.18207	1.3
403.19376	2.3
415.19510	5.2
416.20120	2.9
417.20782	3.9
427.19388	1.6
428.20483	1.5
429.16617	10.7
430.17435	1.7
431.22360	10.6
432.22693	1.5
443.18286	8.5
444.19070	5.0
445.20502	3.5
457.20441	4.3
458.21039	13.7
459.22034	12.7
471.21927	3.6
472.22717	1.3
503.20462	2.4
517.26160	2.9
545.17236	2.2
545.25519	29.7
546.26263	1.5
605.27643	100.0
606.28040	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	606.1933
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23075	0.4
52.74632	0.5
56.96301	0.9
56.96571	13.7
57.03438	1.8
59.05013	1.0
61.02924	1.6
68.96547	0.5
69.03445	4.0
69.28199	4.6
71.01349	2.1
71.05002	1.2
71.95255	0.8
73.02917	1.4
81.03418	1.3
84.96046	8.1
85.02918	8.6
85.06559	1.4
85.57095	0.5
87.04482	1.9
89.10828	0.6
95.01420	0.5
97.02908	4.9
97.26806	0.4
98.97598	81.0
99.04522	1.0
99.97969	0.7
101.00875	2.4
101.02314	0.5
102.00974	0.7
108.01440	0.5
109.02892	0.9
110.96836	1.0
110.97581	11.8
112.99149	1.5
113.02384	0.8
115.02461	0.6
115.03999	0.5
116.98637	22.1
117.67850	0.5
119.01940	3.2
120.02035	1.1
123.04452	0.8
124.99153	1.4
126.97067	1.2
127.00704	1.1
127.03972	2.3
128.98636	8.5
129.02167	1.6
131.00198	1.7
131.01910	2.1
131.03474	0.5
132.02077	0.8
134.99684	4.0
135.04437	0.6
137.06004	2.0
139.03966	0.9
140.00308	0.5
140.02283	0.7
140.98634	1.4
143.00221	2.7
143.01917	6.1
144.01979	3.6
144.98125	1.9
145.01695	1.8
145.03398	0.5
145.04999	2.3
146.03560	0.6
146.99664	2.4
147.03297	2.9
147.04433	2.0
152.98608	2.2
155.01913	2.0
156.02043	0.8
156.98120	1.8
157.01743	0.8
157.03502	0.5
158.99683	35.3
161.01245	2.2
161.02985	4.3
161.04277	0.7
162.03139	2.7
162.99210	1.0
163.02785	1.2
165.04349	1.0
167.07079	1.1
168.98108	1.3
170.99608	3.6
171.03333	5.3
173.01204	0.9
173.02940	1.6
173.06638	1.2
174.03156	1.1
174.06779	1.6
174.99223	2.4
175.02802	2.0
177.00739	21.7
177.05751	0.5
178.01103	0.5
179.07005	0.6
182.03438	0.6
182.99719	0.7
184.97615	0.6
185.01358	0.7
185.06601	2.3
186.04428	1.7
186.06818	1.3
186.99191	1.7
187.08061	0.7
189.00772	2.3
189.04361	7.2
191.02185	0.6
191.03838	0.5
193.03769	0.5
196.97562	0.8
197.01324	1.2
197.03087	0.8
200.02304	0.8
201.00723	3.7
201.04341	0.9
202.98613	0.7
203.04111	0.8
203.05960	0.7
203.07736	1.1
204.05554	1.0
205.00125	0.6
205.03815	0.6
207.05376	1.2
208.04858	0.5
209.03322	0.6
214.98750	1.2
215.02269	0.6
217.03790	0.8
217.09152	0.8
219.01793	15.6
219.05226	0.9
220.02185	0.8
221.05107	1.4
222.05246	1.3
231.05370	2.6
232.05046	1.3
233.06754	3.3
236.04771	0.6
237.02832	14.2
239.04475	0.8
242.07330	0.5
242.57481	0.6
249.06320	0.5
260.22833	0.6
275.09769	1.3
276.09958	2.2
279.03946	1.9
291.04312	0.9
291.07565	13.0
293.10886	4.7
294.11044	6.3
309.08597	26.3
310.08948	1.4
314.09241	0.6
317.05524	2.1
318.05630	1.9
319.06891	0.7
319.12476	0.9
321.04984	0.9
321.08536	0.7
323.06589	0.6
327.00031	0.7
331.10513	0.9
332.10199	1.2
335.06448	1.8
336.06653	1.8
337.08292	0.5
339.09482	0.7
345.01257	1.5
346.01724	1.3
353.07520	1.2
354.07117	100.0
355.07620	1.0
373.04318	0.5
386.09845	0.6
393.10385	0.8
412.12964	1.3
412.63342	0.7
421.14069	2.8
421.63998	1.1
444.14041	0.6
446.06409	0.6
545.53217	0.5
606.19586	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	605.2766
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07081	0.7
67.05522	1.6
69.43704	0.7
69.44088	4.6
70.92521	0.6
71.08644	0.7
79.05516	1.2
81.07065	2.4
91.05517	1.0
93.07090	0.9
95.08636	2.3
107.08640	0.9
119.08677	0.6
121.10109	0.7
133.10104	1.0
145.10208	0.8
259.54919	0.6
261.22321	1.1
327.29047	1.6
399.16791	0.8
401.17734	1.3
413.18066	1.2
414.18091	1.6
415.19202	5.4
416.20206	0.9
417.20981	0.7
427.18994	0.7
428.20209	1.4
429.16568	0.7
429.20966	6.5
430.21872	3.6
431.22797	0.7
443.23007	3.1
444.23666	7.3
445.24280	3.4
448.26190	1.1
457.20126	1.3
458.25266	3.2
459.21057	1.8
459.26892	3.0
470.21243	1.1
471.21942	1.4
472.22772	4.4
473.23721	4.4
474.24377	1.5
485.23453	3.9
486.24347	2.0
487.24997	18.5
488.26144	1.2
489.23187	0.9
490.23502	0.7
501.22974	0.9
503.24686	2.7
513.22992	1.2
517.25873	2.4
531.23993	1.3
545.25604	17.4
545.33722	1.2
546.26154	3.3
573.24500	0.9
605.27692	100.0
606.27722	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	603.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93891	1.5
55.01886	1.3
56.96336	1.5
56.96568	15.8
57.03425	4.3
60.04525	7.3
61.02932	3.5
63.77789	1.4
66.54031	1.3
67.05482	2.6
69.03439	11.4
71.01359	4.9
71.04979	6.1
71.12183	3.1
72.08143	4.9
73.02902	2.4
77.05376	1.3
81.03410	3.4
83.04948	1.6
84.96046	8.0
85.02905	23.6
85.06540	5.3
86.09702	4.7
87.04443	2.8
88.37836	1.5
90.57994	1.5
91.05473	1.9
97.02889	10.3
97.06524	1.7
98.97591	100.0
99.04447	2.5
101.00900	3.6
102.96964	1.3
105.07011	1.4
109.02897	2.0
110.97569	13.6
112.99128	2.5
113.02392	3.1
115.03932	2.0
116.98637	29.8
119.01917	4.5
123.04490	2.0
124.99134	2.8
127.03893	4.8
128.98645	7.6
131.01912	2.4
132.10194	6.2
134.99648	4.7
139.03899	1.7
140.00162	1.9
143.00169	6.0
143.01898	13.7
144.98160	2.0
145.04962	5.7
146.99667	3.3
147.04422	3.8
151.03970	2.0
156.98032	2.6
158.99670	53.8
161.01201	3.3
161.02968	13.9
162.99133	1.5
167.07005	3.0
170.99657	6.4
171.03290	1.6
173.02921	1.5
173.12814	3.4
174.99203	2.1
177.00723	30.8
182.99620	2.6
183.03146	1.7
189.00696	4.3
191.03842	4.4
197.03023	2.3
198.99115	1.8
201.00751	4.6
201.04100	2.0
203.04062	7.2
209.03084	1.5
213.04247	1.9
216.04626	1.9
219.01775	48.0
219.13390	11.3
220.02197	2.2
221.05052	1.7
233.06760	29.4
233.56969	5.4
237.02774	24.1
239.04478	1.5
242.07295	2.8
243.05263	1.7
255.03510	4.7
257.03372	4.9
258.07581	12.8
261.02774	8.6
263.04019	1.6
267.03238	1.7
279.03809	19.5
280.04074	1.5
281.03317	2.7
284.10159	3.1
287.05511	2.3
287.09793	1.7
291.07587	2.4
299.04184	3.1
303.07523	12.0
305.08856	2.3
309.08636	3.8
321.04871	8.9
321.07898	9.2
328.09512	2.3
333.05493	2.0
339.05420	26.9
345.01279	3.6
351.09573	4.6
357.06937	7.8
358.06943	1.7
363.09720	1.9
377.09259	2.2
387.61975	1.7
393.10226	5.1
399.07068	1.7
417.09030	6.9
430.12326	2.4
437.09625	2.0
441.11087	2.0
465.12808	5.8
498.81519	1.4
603.16504	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	603.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15960	0.6
51.41618	0.8
56.96304	0.9
56.96571	13.1
57.03436	2.5
57.07082	0.7
59.04993	0.9
61.02928	1.6
64.57980	0.6
67.05517	1.1
67.55270	0.7
69.03439	5.2
69.22910	5.6
71.01358	4.4
71.04997	1.2
71.49312	0.6
72.08162	1.8
73.02914	2.1
73.06567	0.8
73.41351	0.5
81.03423	2.3
81.47352	0.5
83.04964	0.8
84.96045	6.3
85.02914	10.0
85.06533	2.1
87.04473	2.1
91.05458	0.7
97.02899	7.3
98.97593	100.0
99.04475	0.8
101.00910	1.6
102.97115	0.9
110.97579	13.2
111.04468	1.1
112.99142	2.5
113.00872	1.1
113.02363	1.8
115.03990	1.0
116.98632	27.0
119.01905	1.8
124.99149	1.3
126.97035	0.9
127.00684	1.9
127.03940	2.7
128.61438	0.7
128.98621	8.0
129.01917	1.4
131.00208	1.9
131.01884	2.1
133.01680	0.9
134.99690	3.5
137.05936	0.9
140.98627	2.3
143.00200	3.6
143.01933	2.3
144.98131	2.0
145.01724	2.4
145.03510	1.1
145.04964	3.6
146.99677	2.6
147.03278	4.3
147.04443	1.9
149.01175	1.0
152.98576	2.4
155.01910	1.5
155.04639	0.8
156.98166	1.1
157.01778	0.9
157.03474	1.0
158.99675	52.5
161.01241	3.3
161.02954	2.6
162.99133	1.2
163.02765	1.3
165.04376	1.6
166.63998	0.7
168.98137	0.7
169.03638	0.9
170.03467	1.0
170.99693	4.9
171.03329	6.1
173.01212	1.7
173.03056	1.4
174.99213	2.2
175.02734	2.5
175.04442	0.8
177.00737	24.2
179.02283	1.1
185.06561	0.6
186.04468	0.8
186.99239	1.2
187.02789	1.1
189.00792	3.2
189.04391	9.2
191.02313	1.3
191.03946	1.8
192.04646	0.9
195.01645	0.7
200.02229	0.8
201.00772	4.7
201.02502	1.4
205.03796	1.1
207.05463	1.5
208.84821	0.7
213.04269	0.7
214.98608	1.3
219.01802	21.4
221.03127	1.1
225.02507	0.8
229.00443	0.9
231.05417	2.5
233.06793	9.2
233.56934	0.9
237.02858	18.7
239.04448	1.9
242.07372	1.5
249.06468	1.4
261.02863	2.2
263.04181	0.8
275.09793	1.0
279.03854	3.9
285.08447	0.7
287.05463	0.7
291.07510	19.8
293.10886	1.0
298.07983	1.6
303.07611	1.1
309.08575	52.3
314.09464	1.9
316.04956	0.7
319.02902	0.8
321.04947	1.5
328.09195	1.4
332.10516	0.7
335.06351	1.5
339.09573	1.0
345.01279	1.1
351.09677	90.1
352.10229	1.3
377.09113	1.2
377.59570	1.0
393.10574	1.9
409.11890	1.0
423.08154	0.8
465.13016	1.5
490.86359	0.7
543.19727	7.6
603.19324	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.1053
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	3.1
56.96572	10.7
57.03446	9.6
58.99863	1.7
59.05006	1.3
61.02930	1.4
68.98303	2.9
69.03441	10.8
69.18013	7.6
70.99877	1.0
71.01360	8.4
71.04980	1.0
72.08163	1.2
73.02916	2.9
77.00944	0.7
80.86926	0.8
81.03432	6.6
82.99886	1.6
83.01350	0.8
83.04993	1.3
84.96044	6.0
85.01418	1.5
85.02914	14.4
86.88906	0.7
86.99345	3.7
87.04481	2.7
91.03928	0.9
94.99892	3.2
97.01408	2.1
97.02906	17.6
98.97596	25.3
99.04462	2.4
101.00888	15.3
101.02347	1.0
103.02461	1.7
103.03905	0.9
105.00372	2.7
109.02891	8.2
110.97570	10.9
111.02064	1.3
112.99174	3.2
113.00879	43.9
113.02375	3.3
115.00672	1.7
115.02448	14.4
115.03865	1.7
116.98641	7.5
117.04053	0.9
119.01940	22.4
119.04943	0.8
124.99162	2.0
125.00880	2.4
126.97034	0.9
127.02457	8.6
127.03901	5.4
128.98627	10.2
129.00323	3.6
129.01875	1.7
129.04015	1.9
131.01924	100.0
132.01936	1.2
133.01694	2.1
133.03476	6.5
134.99698	1.4
137.00931	1.0
137.02969	1.5
137.05962	1.5
139.02448	2.1
140.98616	1.6
141.00363	8.9
141.01866	1.5
143.00244	3.7
143.01920	25.0
144.98111	2.0
145.01720	1.2
145.03479	26.8
145.04973	3.6
146.03625	0.7
146.99690	3.6
147.01404	9.1
147.03223	1.3
147.04402	1.3
149.01242	1.2
149.02982	4.7
151.02429	4.0
153.00374	2.0
153.04094	0.8
154.03453	0.9
155.00087	1.3
155.01918	29.9
156.02733	1.6
156.98114	3.1
157.03496	12.6
158.99731	4.1
159.01414	53.4
159.04999	1.5
160.01694	1.3
161.01198	3.6
161.02994	17.2
162.99158	1.4
163.04567	1.6
165.00551	1.1
167.01910	9.3
168.98163	1.8
169.03488	23.5
170.99731	5.1
171.01425	15.5
171.03041	1.3
171.05101	2.3
173.01323	3.2
173.02969	23.3
174.03200	0.8
174.99144	3.9
175.02736	1.1
175.04562	2.3
176.03249	1.0
177.00751	3.4
177.02477	10.7
177.04295	2.5
179.02020	9.5
181.03531	6.6
182.03102	1.3
182.99860	1.4
183.01437	10.4
183.05064	3.3
184.04672	1.2
184.97664	1.2
185.01346	1.3
185.02962	19.7
186.99179	1.9
187.00954	4.9
187.02850	1.0
187.04510	4.3
189.00725	3.6
189.02469	6.3
191.01991	10.5
191.03905	1.7
192.04724	4.1
193.03558	2.6
195.01404	5.6
195.05234	1.5
196.97708	1.3
197.02982	34.7
198.99284	1.4
199.00917	3.7
199.02744	1.6
199.04517	5.4
200.99174	0.9
201.00792	3.1
201.02499	14.2
203.02197	1.4
203.03915	7.9
205.00140	1.1
205.01955	1.7
205.05695	0.8
207.01482	4.3
209.02986	19.2
211.00969	2.4
211.04616	2.9
213.00612	1.3
213.02481	15.0
213.06081	0.9
214.98628	1.7
215.00533	1.6
215.04034	8.1
217.00180	1.4
217.01982	2.1
219.01711	11.4
219.03539	0.8
221.03136	5.5
221.05148	10.4
223.00975	1.6
223.04689	1.6
223.06723	1.8
225.02458	14.8
227.04085	5.9
229.00192	1.1
229.02017	4.0
231.03682	5.1
232.99690	1.4
237.02629	19.7
239.04218	8.5
240.04788	0.9
241.02025	5.0
242.99873	1.1
243.03603	7.1
244.04460	0.9
245.01453	1.9
245.05098	12.9
247.05783	1.0
249.02391	1.5
249.04709	2.1
253.01962	2.9
254.06480	1.2
255.03603	5.4
255.54668	0.9
257.05112	27.8
259.03076	2.7
261.02676	1.0
262.55554	0.8
263.06635	2.6
265.02011	1.0
267.03720	3.7
271.03036	6.1
271.05814	3.5
271.55978	0.9
273.04657	2.9
275.06238	0.9
279.03857	1.4
281.01169	0.9
283.03275	0.9
285.04599	31.3
287.02032	0.7
297.04724	1.6
299.02579	5.7
301.04144	5.6
303.05612	2.4
305.07065	1.0
311.02591	6.1
313.04166	0.8
315.05688	7.8
317.03629	2.3
321.05185	1.6
321.08734	4.2
329.03625	28.8
330.03928	1.3
331.04797	3.0
333.06766	27.4
336.07239	2.2
339.09525	2.9
343.05292	2.8
345.01224	1.0
347.04642	7.0
349.04678	2.2
351.07950	2.3
352.08380	1.2
353.08417	1.3
356.08286	1.0
361.06375	6.9
365.05847	0.9
369.10605	0.9
371.04636	19.5
372.05142	1.0
373.05182	1.0
375.07813	2.8
383.05273	0.7
383.08572	1.5
389.06357	1.2
395.04507	1.7
399.04141	2.6
401.06281	2.4
403.07233	3.3
415.07394	1.6
425.05313	1.0
429.12057	1.0
441.05133	2.0
443.06573	4.3
445.08221	1.5
463.09244	5.0
471.05914	1.3
473.07718	2.5
493.10226	1.7
509.07568	1.2
510.08490	0.9
511.11444	5.7
513.07159	2.6
533.09924	2.8
575.11011	1.2
603.10419	38.3
603.18872	1.5
604.11090	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.424
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	2.3
55.05508	6.2
57.07082	7.9
59.05016	2.3
65.03940	2.3
67.05505	11.3
69.03424	7.5
69.07060	6.7
69.37893	4.2
69.38322	6.0
79.05495	14.3
81.03414	1.7
81.07064	19.4
83.04976	4.6
83.08637	3.2
85.06547	2.3
91.05473	24.1
91.06014	1.7
92.05830	1.5
93.07043	36.3
95.04983	6.6
95.08609	22.5
97.06533	5.1
98.21140	5.8
103.05507	2.3
105.07032	42.8
105.31932	1.3
106.07345	1.8
107.08606	21.8
108.08895	1.7
109.06528	9.1
109.10141	10.2
111.08116	2.4
114.26646	1.3
115.05482	2.0
117.07024	10.2
119.08585	42.5
120.08923	2.2
121.06500	6.4
121.10150	19.1
123.08072	17.5
123.11716	1.3
123.70866	1.5
125.05994	4.9
128.06236	4.6
129.07010	6.5
130.07803	3.3
131.08580	17.0
133.06500	3.1
133.10129	21.1
135.08061	12.4
135.11694	8.7
137.09607	12.7
139.07535	2.2
142.07779	10.3
143.08583	15.6
144.09224	1.9
145.10129	28.7
146.10443	2.3
147.08060	27.1
147.11720	7.9
148.08459	1.6
149.09645	4.0
151.07526	15.1
155.08577	5.0
156.09314	6.6
157.10129	19.4
158.10728	2.8
159.08066	2.8
159.11705	18.2
160.12222	1.5
161.09616	5.8
161.13242	6.8
163.11220	8.6
165.09126	49.2
166.09457	3.6
167.08629	1.8
168.09428	2.6
169.10153	9.9
170.10838	3.1
171.11697	11.4
173.13283	6.1
175.11172	4.4
175.14827	5.0
176.11536	1.7
177.09200	1.7
179.08582	3.7
181.10159	5.2
181.12251	10.0
182.10930	2.3
183.11700	10.1
184.12355	1.6
185.09758	1.7
185.13268	7.6
187.11220	2.7
187.14767	4.4
189.12781	5.2
192.09352	2.3
193.10155	3.7
193.12286	4.1
194.10878	3.9
195.11728	7.6
195.13536	1.9
196.12384	3.2
197.13242	8.4
198.13748	1.5
199.11111	1.8
199.14876	2.8
201.12756	2.8
203.14330	16.0
204.14661	2.3
206.10960	2.1
207.11682	4.1
207.13829	6.4
208.12448	3.0
208.14413	1.6
209.13254	7.9
209.15150	2.7
210.13887	1.3
211.11223	1.9
211.14888	4.4
213.12741	1.7
213.16452	2.0
215.14273	1.4
219.11713	1.5
221.13412	4.3
221.15366	100.0
222.13860	1.8
222.15738	8.9
223.14845	3.0
229.15848	1.8
231.13939	1.3
233.15477	1.7
234.16052	2.7
235.14734	3.9
237.16356	3.1
243.13776	1.4
247.14761	1.7
247.16957	6.4
248.15260	1.5
248.17563	1.4
249.16464	2.6
253.15828	1.3
263.17957	1.7
265.19440	1.4
266.68698	1.3
271.16864	1.3
274.19217	2.8
275.19760	2.8
279.61041	1.3
283.20584	1.7
285.18558	1.8
286.19366	1.7
287.20041	7.3
295.20734	2.4
299.20117	4.9
300.20721	3.2
301.21585	4.2
312.21024	2.1
313.21310	1.8
325.21832	1.5
326.22015	1.4
340.23764	2.8
341.24484	3.0
344.76343	1.7
352.23889	5.3
353.24399	4.6
365.24619	2.1
367.26224	5.5
384.12823	1.4
393.27719	2.3
426.27283	1.6
427.28195	1.8
428.28833	3.2
440.29413	1.4
441.29630	6.4
491.35300	10.1
509.36127	2.4
521.35736	7.1
583.41144	11.1
601.42395	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	601.4241
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.0
55.01874	1.9
55.05508	9.1
55.47446	1.6
57.07073	8.6
59.05012	4.6
67.05510	14.5
69.03433	10.2
69.07067	8.8
69.30073	3.4
69.30472	12.0
72.13828	1.6
74.98121	1.5
78.75482	1.5
79.05503	16.3
81.03888	1.7
81.07064	23.8
83.04985	3.5
83.08628	3.7
85.06525	4.2
89.06021	2.5
91.05489	23.6
93.07051	32.8
94.07353	2.1
95.04969	6.6
95.08616	23.2
97.06536	3.7
105.07042	36.3
106.07359	2.9
107.08606	17.1
109.06524	11.4
109.10152	8.1
111.82654	1.7
117.07025	11.7
119.08592	41.1
120.08906	2.9
121.06505	5.5
121.10156	20.0
121.82189	1.7
122.10558	2.4
123.08060	13.9
123.11694	2.1
125.06010	5.4
128.06285	3.5
129.06134	1.8
129.07008	8.5
130.07759	3.0
131.08574	16.7
132.08873	2.2
133.06491	2.2
133.10161	19.9
134.10509	2.2
135.08083	11.5
135.11728	8.1
137.09621	12.3
141.07028	3.2
142.07790	6.3
143.08589	13.1
144.09195	2.3
145.10133	31.2
146.10463	4.5
147.08058	22.4
147.11707	7.5
148.08669	2.5
149.09636	6.2
151.07578	13.1
155.08580	6.8
156.09309	5.9
157.10127	19.3
158.10732	2.9
159.08067	3.9
159.11717	17.7
160.12167	2.2
161.09608	3.9
161.13225	4.9
163.11180	10.4
165.09131	44.8
166.09427	2.9
167.08517	2.1
168.09245	2.2
169.10158	8.4
170.10750	2.4
171.11699	11.4
172.12404	1.8
173.09680	4.4
173.13252	7.1
175.11205	7.0
175.14848	5.9
176.11632	2.7
177.12665	2.5
179.10718	2.4
181.10115	3.7
181.12250	12.3
182.10924	2.9
183.11688	7.1
184.12212	1.8
185.13272	9.3
187.11180	2.5
187.14848	5.5
189.12753	4.2
190.13379	3.8
191.14384	2.1
193.10162	3.4
193.12265	3.2
194.10887	3.2
195.11713	6.2
196.12170	3.6
197.13225	6.9
199.11241	2.8
199.14931	3.8
201.12773	3.6
203.14322	20.0
204.14688	3.7
207.11876	3.0
207.13817	7.4
209.13156	5.5
209.15109	2.6
211.14880	4.2
213.16347	2.7
220.12390	2.0
221.13542	3.7
221.15378	100.0
222.15685	10.1
223.14873	2.2
225.12497	2.3
225.16423	2.4
227.14417	2.2
233.15433	2.1
234.16133	6.5
235.14738	3.1
235.16841	2.9
237.16234	2.1
247.16864	8.2
248.17340	5.0
250.16797	2.4
253.15761	1.8
258.62216	1.8
274.19366	2.7
275.19843	2.5
287.20007	7.7
288.20541	1.9
299.20032	5.1
300.20651	7.4
312.20966	3.6
313.21634	3.5
325.21664	2.6
326.22141	5.0
340.23697	3.7
341.24448	2.6
352.23959	5.1
353.24387	6.8
367.26221	5.7
393.27621	2.1
420.30142	2.0
421.31146	2.4
425.26825	2.4
426.27441	2.5
427.28122	3.4
428.28723	5.1
440.29288	4.5
441.29434	12.0
457.37720	2.0
491.35333	11.9
509.35672	4.3
521.36060	9.7
576.04480	1.9
583.41846	9.6
601.42493	36.4
601.50958	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	600.4172
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.7
55.05515	20.4
57.07071	18.8
65.03933	5.3
67.05504	33.4
69.03436	21.9
69.07067	17.4
70.90596	4.1
70.90950	5.5
71.04964	4.4
79.05120	3.4
79.05497	32.1
81.07058	42.2
82.07399	3.4
83.04976	30.8
83.08605	7.3
83.28742	3.2
83.39588	2.7
85.06536	6.0
87.41085	3.3
89.06016	10.7
91.05476	47.6
93.07048	65.8
93.07618	2.8
95.04961	24.9
95.08614	37.3
97.06528	11.7
103.05473	4.1
105.07035	78.9
107.04925	3.2
107.08600	44.4
109.06542	22.0
109.10170	18.9
111.08094	6.3
113.09674	3.9
115.05499	6.0
117.07010	19.5
119.04872	5.0
119.08587	68.5
120.09389	3.6
121.06526	16.9
121.10147	38.6
123.08081	28.5
123.11698	5.0
125.05975	5.5
125.09637	6.3
128.06209	10.3
129.07013	26.9
130.07764	8.6
131.08571	33.1
133.06500	8.2
133.08606	5.6
133.10123	52.4
135.08066	30.9
135.11684	10.2
137.09613	17.4
137.10515	3.6
141.06953	5.2
142.07765	23.9
143.08568	43.0
144.09288	8.7
145.06572	3.9
145.10138	55.1
146.10748	3.8
147.08058	36.2
147.11687	14.3
149.09595	17.2
149.13246	4.2
151.07545	25.1
152.08299	3.4
153.07021	3.5
154.07741	3.6
155.08562	21.5
155.10715	3.4
156.09349	22.7
157.10136	61.0
158.10870	11.3
159.08037	15.4
159.11711	37.7
160.08846	4.9
161.09648	16.1
161.13248	10.5
163.11214	23.1
165.07013	5.4
165.09131	53.5
166.07770	5.2
166.09479	4.6
167.08542	7.6
167.10756	8.1
168.09296	7.7
169.10144	27.0
170.10869	11.1
171.11687	32.5
172.12415	7.4
173.09669	14.5
173.13194	15.0
174.10252	3.4
175.01501	5.2
175.11214	23.0
177.09140	5.7
179.08548	11.7
179.10632	4.2
180.09317	4.7
181.02652	3.9
181.10156	15.5
181.12236	13.0
182.10844	8.8
183.11734	19.0
184.12480	4.8
185.09653	7.4
185.13249	17.1
187.11188	9.5
187.14813	4.0
189.12714	12.5
190.13509	12.1
191.10777	3.8
191.14296	5.1
193.10164	10.2
193.12189	7.2
194.10744	8.1
195.11688	25.6
196.12314	6.1
197.11659	7.4
197.13277	20.6
198.10182	4.4
199.11177	8.2
199.14804	8.0
201.12704	10.5
203.14330	21.1
206.10931	7.6
207.11656	13.6
207.13794	15.9
208.12447	6.4
208.14517	8.9
209.13261	14.7
210.14113	5.2
211.11191	6.4
211.14801	10.2
213.12761	7.2
215.10735	3.8
215.14316	5.5
218.16537	4.5
219.11748	7.3
219.13643	7.3
220.12413	6.9
221.13283	12.7
221.15359	100.0
222.13716	3.2
222.15750	9.0
223.14806	16.7
224.15323	4.0
225.12617	4.6
225.16188	7.8
227.14265	4.1
229.12285	4.9
233.13216	6.3
233.15344	21.9
234.16096	13.2
235.14844	5.5
236.15190	3.9
237.12750	5.9
237.14685	26.2
239.14308	5.5
245.13211	4.4
246.14069	4.4
247.16878	15.7
248.13969	7.1
249.16338	8.3
253.15855	5.0
255.17393	21.4
257.15451	4.0
259.14789	4.4
259.17175	4.1
261.16293	6.0
263.17868	4.4
265.15948	4.3
269.18997	3.4
270.19846	3.2
271.16852	5.3
273.18661	6.1
274.19324	21.9
277.19421	3.6
279.17560	3.7
281.19012	5.4
285.18549	7.2
286.19507	14.6
287.19940	13.8
294.19513	4.6
299.20218	16.4
300.20645	4.1
303.19565	55.2
312.20767	5.1
313.21692	16.3
314.12244	5.9
319.20538	5.0
322.22864	3.7
325.21512	16.8
337.21646	11.4
352.23947	90.9
365.24796	17.9
377.24789	7.0
383.25668	6.2
420.30118	3.8
437.30664	4.4
490.34195	4.1
502.34659	6.0
503.35492	7.3
505.32846	6.1
507.34564	9.3
520.35510	36.4
544.19269	12.7
582.40430	4.1
600.25397	9.0
600.41364	30.2
600.50098	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	600.418
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03962	8.8
55.05510	14.5
57.07072	12.0
62.72750	3.3
67.05522	25.4
69.03435	16.0
69.07068	12.6
79.05505	31.8
81.07072	42.2
83.05006	21.3
83.08621	10.1
85.06542	10.3
91.05507	61.3
93.07063	72.9
95.04984	22.9
95.08623	39.1
97.06523	13.1
103.05452	3.7
105.04414	3.5
105.07048	88.2
107.08611	57.8
109.06532	23.4
109.10167	17.1
111.08083	4.6
113.43841	3.3
113.59591	3.9
115.05476	6.6
117.07043	20.9
118.07809	4.4
119.04953	3.5
119.07823	5.3
119.08611	75.1
121.06523	16.9
121.10170	41.3
123.08096	30.5
123.11681	3.9
125.09610	5.7
128.06265	20.6
129.07011	25.1
130.07779	10.2
130.37405	3.3
131.08607	47.1
132.09375	3.9
133.06537	8.3
133.10158	47.9
135.08076	26.4
135.11699	15.2
137.09645	18.0
139.11076	4.0
141.07024	7.0
142.07829	24.8
143.08583	53.0
144.09375	13.6
145.06505	4.7
145.10153	65.8
146.10872	6.3
147.08080	40.3
147.11671	15.1
149.09634	14.5
151.07544	16.0
151.11139	3.4
153.06944	5.2
154.07652	4.4
155.08571	17.6
156.09348	20.8
157.10167	82.9
158.10887	11.3
159.08101	14.0
159.11725	40.2
161.09624	25.8
161.13223	7.6
163.07593	4.2
163.11244	20.7
165.07011	5.6
165.09163	48.3
167.08583	12.2
167.10707	11.1
168.09335	8.2
169.10153	29.7
170.10883	14.7
171.08080	3.8
171.11716	40.0
172.12494	9.8
173.09628	10.8
173.13223	22.1
175.11253	25.6
175.14845	8.8
177.09134	3.7
177.12614	4.5
179.08598	11.9
179.10759	4.9
180.09308	5.1
181.10172	20.5
181.12224	8.2
182.10889	6.6
183.11777	24.2
184.12526	7.2
185.09607	7.6
185.13266	18.4
186.14055	3.9
187.11169	13.6
187.14806	6.0
189.12773	16.1
190.13533	12.2
192.09282	4.6
193.10162	11.8
193.12282	9.5
194.10953	13.8
195.11771	22.3
195.13420	4.4
196.12483	8.4
197.09708	5.2
197.11702	6.0
197.13362	23.4
199.11255	8.0
199.14850	9.2
200.11861	3.9
201.12811	6.7
203.14371	27.8
205.10271	5.0
205.12169	4.6
206.10942	5.1
207.11722	17.1
207.13860	11.7
208.12511	8.3
208.14552	9.5
209.09625	4.6
209.13281	22.4
209.15277	7.4
210.14027	5.6
211.11209	7.8
211.14839	16.4
211.31087	3.5
213.12784	12.9
215.10719	3.8
215.14252	4.4
219.11723	4.9
219.13765	7.2
220.12538	6.0
221.13304	12.4
221.15375	88.0
222.15829	5.4
223.11227	4.1
223.14908	8.9
224.15665	5.1
225.12688	10.6
225.16396	12.2
227.14304	5.4
229.15962	4.7
230.13057	4.2
231.11681	5.9
233.13336	7.7
233.15442	27.7
234.16084	11.6
234.82245	3.7
235.14919	12.0
237.12782	8.6
237.14867	31.5
237.16948	5.3
239.14374	8.3
241.15887	4.9
245.13251	8.6
246.14066	5.8
247.14850	8.7
247.16992	12.1
248.14163	9.8
249.16505	5.9
251.14304	5.9
251.18144	5.5
253.15878	8.4
255.17429	20.9
259.17096	6.2
261.16522	9.4
271.16998	9.4
274.19260	10.1
281.18997	5.6
285.18655	9.0
286.19287	15.6
287.20084	16.3
294.19894	7.3
295.20630	4.6
297.18558	6.8
299.20096	13.5
303.19574	53.0
311.20166	5.9
312.20941	6.2
313.21674	16.0
319.20566	6.1
325.21655	16.1
337.21573	13.8
339.23294	4.4
349.16107	4.1
352.24020	100.0
353.24680	4.5
365.24872	23.9
383.25882	4.9
454.30621	4.2
502.34348	6.3
503.35046	6.1
505.33130	10.5
507.34738	5.8
508.34894	5.4
520.35541	44.7
600.41461	19.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.4171
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34930	1.6
53.03951	3.1
54.03200	1.6
55.05514	4.7
57.07082	13.0
59.04996	3.2
65.03959	2.3
67.05512	13.6
69.03434	8.3
69.07063	6.8
69.17097	8.8
69.17524	8.5
78.50485	1.6
79.05504	14.9
81.07055	21.3
82.70261	1.7
83.04995	4.2
83.08630	3.1
85.06560	5.0
89.06037	7.5
91.05485	28.1
92.06271	2.4
93.07053	34.3
94.51159	1.7
95.04968	11.3
95.08617	22.2
97.06548	6.3
105.07038	49.1
107.08605	24.3
109.06523	12.9
109.10136	9.8
111.08068	2.3
117.07034	12.9
119.04967	1.7
119.08590	55.3
120.09428	2.8
121.06504	5.8
121.08714	1.7
121.10154	22.6
122.07298	1.8
123.08081	18.0
123.11698	3.1
125.06001	14.2
126.74874	1.5
128.06229	6.3
129.07016	11.7
130.07814	3.0
131.08575	27.2
132.09384	2.6
133.06514	5.1
133.08607	5.3
133.10139	24.4
135.08046	17.6
135.11685	7.3
137.06020	2.5
137.09616	14.8
139.07506	4.1
141.07051	4.1
142.07800	9.9
143.08568	22.7
144.09335	5.3
145.06554	2.4
145.10136	38.3
147.08061	32.7
147.11687	5.9
148.61499	1.6
149.09637	15.0
151.07561	10.7
151.11223	2.1
153.07062	2.3
153.09172	2.1
155.08586	11.6
156.09352	11.1
157.10144	32.7
158.10886	4.2
159.08073	6.3
159.11716	23.3
160.08830	1.9
160.12268	2.1
161.09637	10.4
161.13280	7.4
163.11195	24.5
165.07034	3.2
165.09126	48.0
166.07819	2.2
166.09441	3.8
167.08571	5.4
168.09332	5.7
169.10139	12.8
170.10884	7.7
171.08035	2.1
171.11714	15.2
172.12479	5.7
173.09665	9.6
173.13284	9.3
175.11174	24.1
175.14885	2.9
176.11861	2.0
177.09132	4.2
177.12701	3.1
178.10005	3.8
179.08556	4.1
180.11520	3.8
181.10138	7.4
181.12221	18.2
182.10927	5.8
183.11684	12.5
184.12422	2.1
185.09682	3.4
185.13219	9.1
186.13850	2.1
187.11186	5.8
187.14804	3.0
189.12697	8.1
190.13513	9.2
191.10736	7.2
191.89261	1.8
193.10248	3.9
193.12289	13.3
194.10886	5.4
195.10159	1.9
195.11694	11.1
195.13509	2.8
196.12477	3.9
197.09834	1.7
197.13255	11.9
199.11237	7.6
199.14818	3.1
201.12770	6.9
203.10693	2.5
203.14307	16.6
204.14841	2.9
206.10858	2.3
207.11656	4.8
207.13835	12.4
208.12665	3.3
208.14590	8.2
209.13312	8.4
209.15247	2.2
210.10356	2.1
210.14005	3.5
211.11221	3.2
211.14867	7.7
213.12727	4.0
213.16373	2.1
215.10638	1.9
215.14336	2.3
219.11876	2.8
219.13734	9.1
221.13423	4.1
221.15370	100.0
222.13933	2.9
222.15790	12.5
223.14825	4.2
225.12744	5.0
225.16370	2.7
227.14331	3.1
229.15877	3.6
233.13261	4.3
233.15381	2.6
234.16158	19.8
235.11205	2.1
235.14789	3.7
237.12711	4.1
237.16486	2.4
239.14423	3.2
239.17816	2.1
241.15941	2.8
247.14729	2.4
247.16985	30.1
248.17648	3.9
249.16206	2.3
251.14142	3.2
253.15927	3.8
259.14508	2.1
259.17010	4.3
261.18732	2.6
263.14371	2.4
263.18069	3.0
265.15814	2.8
269.15417	2.5
271.17017	2.8
273.18613	2.3
274.19287	13.7
279.17242	3.3
281.19028	3.0
285.18637	2.8
286.19360	3.5
287.20081	12.0
297.18530	3.2
299.20099	14.5
300.20795	3.5
307.20483	2.4
310.19147	2.9
311.19968	4.8
312.20844	7.7
313.21707	8.7
325.21576	16.2
327.23077	2.4
337.21661	3.6
339.23257	5.9
340.23987	18.4
352.24014	26.7
353.24692	2.1
365.24747	6.9
366.25601	3.2
377.24918	2.2
379.26285	6.2
383.22128	2.4
387.25598	3.3
391.26343	7.2
392.26956	4.8
400.26056	1.8
413.26770	5.9
419.29520	8.7
420.30215	4.2
425.26910	7.8
426.27759	2.1
427.28400	14.4
440.29297	49.3
442.30615	2.5
479.68079	1.9
507.34647	2.4
508.35327	6.2
520.35626	28.6
521.36237	2.8
583.41571	2.0
585.39600	2.4
600.41663	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	600.4181
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	4.3
55.05505	11.2
57.07075	10.4
59.05005	3.7
65.03940	4.5
67.05514	24.4
69.03426	11.7
69.07069	10.5
69.20187	25.6
70.06604	69.5
71.04986	4.1
77.03905	2.6
79.05514	26.9
81.07073	36.6
82.07391	2.7
83.05000	16.7
83.08620	8.9
85.06543	9.0
89.06043	4.4
91.05491	40.2
93.07062	53.5
95.04980	18.3
95.08616	28.7
97.06542	9.0
100.15441	2.5
103.05461	3.1
105.07050	85.5
107.04949	3.5
107.08617	42.9
108.09415	3.1
109.06555	19.7
109.10198	18.8
111.08129	3.5
112.68121	2.8
115.05460	5.2
116.07110	100.0
117.07056	22.5
119.04971	3.4
119.07813	4.7
119.08603	67.7
119.78582	2.5
121.06555	13.8
121.10169	38.3
123.08089	24.7
123.11736	3.4
125.09629	7.2
128.06252	12.9
129.07030	20.2
130.07814	7.3
131.08600	36.9
131.98358	2.5
132.09373	4.0
133.06520	6.7
133.08612	4.0
133.10150	48.2
135.08076	23.2
135.11690	10.6
137.09637	16.3
139.07536	3.4
139.11223	3.5
140.20518	2.7
141.07008	9.1
142.07813	28.0
143.08583	48.1
144.09361	12.6
145.06474	3.6
145.10149	52.4
146.07326	3.2
146.10765	2.6
147.08064	35.2
147.11722	12.0
148.08879	3.8
149.09630	24.2
151.07582	16.2
151.11208	2.7
153.06987	4.2
155.08560	17.7
156.09406	17.1
157.10165	66.3
158.07405	2.6
158.10892	9.0
159.08060	12.3
159.11719	29.2
161.09674	22.1
161.13300	8.0
163.11221	21.5
165.07036	5.4
165.09149	39.4
166.07762	5.0
167.08574	9.5
167.10719	11.3
168.09274	5.1
169.10150	24.7
170.10880	9.2
171.08084	6.5
171.10300	5.5
171.11717	36.8
172.12476	8.0
173.09660	11.0
173.13298	14.0
174.10376	3.0
175.11240	19.1
175.14777	3.7
179.08594	8.3
179.10683	3.3
180.09322	6.1
181.08699	2.9
181.10187	12.9
181.12247	12.5
182.10950	6.6
183.11725	22.7
184.12349	2.8
185.09673	5.1
185.13335	21.1
187.11188	7.8
187.14894	6.9
189.12848	12.3
190.13539	17.0
191.14386	4.5
192.09364	5.5
193.10152	12.8
193.12251	11.9
194.10884	7.8
195.11659	18.8
196.12476	4.5
197.09636	5.1
197.11678	3.7
197.13313	20.8
198.10498	2.7
198.13916	2.8
199.11253	7.7
199.14893	6.9
201.12813	7.9
203.14313	24.3
205.10185	6.2
206.10934	9.0
207.11713	14.5
207.13834	16.8
208.12498	7.5
208.14482	5.8
209.13519	14.2
209.15271	4.8
210.14006	5.6
211.11192	8.4
211.14824	11.7
213.12778	10.7
213.16284	3.4
215.10739	4.2
215.14378	5.4
217.16005	3.0
218.11067	4.5
219.11748	6.9
219.13858	6.8
220.12454	7.2
221.13315	10.5
221.15376	86.7
222.15828	4.3
223.11087	5.2
223.14838	10.6
225.12769	6.5
225.16414	4.6
227.14354	4.4
231.11646	5.1
233.13277	7.7
233.15425	25.4
234.16101	9.4
235.14749	9.6
235.16916	4.0
237.12701	7.6
237.14674	31.9
239.14349	4.5
241.15742	4.0
243.13728	3.1
246.14067	4.0
247.14813	5.1
247.17023	11.3
248.14073	6.3
249.16399	5.4
250.15570	5.6
251.18301	3.0
253.15913	7.9
255.17496	15.6
259.14764	4.0
261.16354	6.1
263.14197	2.6
265.19525	3.5
267.17633	4.1
270.19598	4.4
271.16995	4.0
272.17780	3.3
273.18747	3.7
274.19312	15.3
279.17297	5.2
281.18930	5.8
285.18698	5.0
286.19272	11.9
287.20093	8.4
294.19781	8.0
295.20474	4.4
297.18561	6.1
299.20145	10.7
303.19617	48.8
310.19278	4.6
311.20209	4.8
312.21085	3.1
313.21689	14.6
319.20718	3.9
325.21866	12.8
337.21631	9.7
345.22217	2.6
352.24005	88.0
365.24789	15.1
377.24799	6.8
383.25858	3.8
438.72073	2.8
487.32034	5.9
502.34277	10.4
503.35306	8.5
505.32437	5.8
507.34738	14.5
508.34991	8.7
520.35449	44.2
582.40356	3.2
583.41357	3.3
585.38995	4.1
589.57117	2.7
600.41644	29.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.4174
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29796	3.9
53.03920	5.0
55.05510	21.2
57.07069	17.8
59.05014	7.8
65.03947	6.2
67.05189	3.9
67.05511	60.9
69.03436	8.3
69.07085	21.2
71.08617	4.0
71.51752	6.3
79.05498	35.4
81.06605	5.6
81.07063	61.5
82.07392	9.9
83.04994	5.6
83.08620	13.2
85.06567	5.5
85.10179	5.2
87.89452	3.9
89.06044	28.0
91.05482	42.0
93.07048	48.7
95.04967	18.8
95.08614	54.4
97.06563	4.3
99.25190	4.1
100.11263	19.1
105.07040	60.3
107.08595	35.2
109.06513	19.6
109.10149	27.1
111.08068	5.2
117.07013	20.0
119.08589	67.9
121.06498	8.9
121.10155	31.5
123.08076	23.1
123.11741	5.6
125.06018	11.7
128.06241	8.5
129.06999	15.1
130.07791	6.7
131.08574	40.9
133.06462	7.2
133.08609	15.8
133.10152	33.8
135.08070	23.7
135.11708	17.8
137.09604	10.2
142.07784	15.2
143.08563	28.7
144.09325	5.7
145.06528	4.4
145.10132	52.3
146.07346	4.3
147.08064	30.1
147.11691	12.7
148.08855	4.9
149.09599	15.7
151.07552	10.9
155.08574	11.9
156.09311	8.3
157.10141	43.1
158.10959	6.6
159.08078	9.3
159.11688	29.2
161.09622	12.4
161.13239	12.5
163.11270	19.4
165.09131	39.1
166.09564	4.2
169.10072	20.6
171.11690	19.4
173.09645	10.8
173.13239	14.2
175.11206	27.5
175.14822	5.8
177.11299	8.5
181.10126	10.2
181.12245	13.7
182.10892	9.3
183.11696	18.2
184.12265	5.4
185.09703	7.7
185.13319	11.4
187.11154	7.3
189.12636	7.0
191.10640	8.0
193.10184	7.9
193.12222	10.1
195.11708	17.3
197.13229	17.1
199.11115	5.3
199.14842	5.2
201.12782	7.9
203.14360	21.6
207.11826	8.3
207.13800	6.5
208.14584	8.6
209.09618	5.1
209.13268	9.6
209.15073	4.9
211.11246	4.5
211.14825	14.1
213.12758	4.7
213.16182	4.8
219.02446	4.4
219.13847	6.8
221.13408	6.4
221.15358	100.0
222.15762	7.0
223.14760	8.1
225.12767	4.2
225.16283	4.8
233.13251	6.6
234.16156	23.4
237.12944	5.2
241.15990	5.4
247.16945	21.3
259.16919	5.0
265.15656	4.5
274.19275	8.8
287.20114	12.6
299.20056	14.6
313.21567	6.5
325.21591	15.9
340.23950	11.9
352.24121	26.7
365.24808	6.0
366.25754	5.6
379.26093	5.3
387.24905	5.7
415.25296	7.7
419.29492	6.0
425.26920	5.3
427.28427	14.4
440.29346	35.3
476.36578	5.3
513.24536	8.9
520.35651	20.9
568.42523	4.7
600.25159	15.0
600.41278	26.7
600.50537	25.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.417
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	10.5
57.07075	16.0
59.05020	3.1
62.59859	2.4
67.05499	29.5
69.03437	5.6
69.07065	9.4
69.08902	2.6
69.66335	2.3
79.05495	17.3
81.07062	30.9
83.04979	9.4
83.08654	4.6
84.08183	2.8
84.68977	2.9
85.06551	5.6
89.06021	8.2
91.05492	28.5
93.07047	35.1
95.04966	8.8
95.08611	29.5
97.06523	5.8
105.07029	47.7
107.08607	22.8
109.06518	11.4
109.10203	7.7
109.14613	3.2
117.07009	12.8
117.60847	3.2
119.08588	46.4
121.06526	6.0
121.10152	18.8
123.08066	12.9
123.11723	6.1
125.06039	7.7
129.07021	9.6
131.08603	19.9
131.38091	2.4
133.08591	3.8
133.10129	19.7
135.08029	16.1
135.11691	10.6
137.05940	3.0
137.09613	11.9
142.07797	10.7
143.08568	19.8
144.09358	3.9
145.06491	5.0
145.10130	37.0
147.08020	20.7
147.11737	5.8
149.09637	9.2
151.07581	8.7
155.08562	10.1
156.09367	9.9
157.10120	29.7
158.10927	4.3
158.72446	2.5
159.08063	5.8
159.11703	17.4
161.09647	7.3
161.13280	6.5
163.11192	15.3
165.09125	44.1
166.09561	4.3
167.08600	6.1
168.09361	4.4
169.10133	12.9
171.11681	14.5
173.09586	6.8
173.13297	9.2
175.11191	19.7
177.09038	3.4
178.09818	3.2
180.11493	5.6
181.10138	6.3
181.12222	17.3
183.11740	15.8
184.12364	3.1
185.09598	5.9
185.13246	6.3
187.11217	5.9
187.14798	4.6
189.12776	7.0
190.13596	8.8
191.10735	7.1
193.10258	4.8
193.12277	18.0
194.10822	3.6
195.11659	7.1
196.12538	5.0
197.03485	2.8
197.13319	8.7
199.11127	8.0
201.12793	7.2
203.14270	18.5
207.11794	5.9
207.13847	8.3
208.12642	4.7
208.14542	9.8
209.13281	10.8
211.11258	4.3
211.14993	6.6
213.12724	6.9
219.13805	6.7
220.12642	2.7
221.13351	7.6
221.15355	100.0
222.15750	6.1
223.14832	4.0
225.12779	3.3
234.16154	23.4
237.12762	5.3
239.14435	3.2
241.15872	3.6
247.16968	35.2
248.17719	6.3
259.17023	4.6
274.19342	11.7
279.17578	3.1
281.19287	3.7
283.26193	14.6
287.20087	10.4
289.88342	3.2
297.18408	3.3
299.20102	19.1
300.29068	6.0
307.20621	3.9
311.20068	3.4
312.20859	7.0
313.21744	4.5
325.21494	13.4
327.23148	5.0
337.21658	5.3
339.23083	5.5
340.24014	14.5
344.31351	3.9
351.23056	3.0
352.24005	26.0
353.24628	4.2
365.24606	5.3
366.25464	4.8
379.26093	4.5
387.25256	5.5
391.26184	3.6
392.26971	6.2
419.29480	12.5
420.30304	4.4
425.26929	8.1
427.28436	17.5
440.29269	44.0
442.30487	5.3
493.33310	3.1
507.34583	3.6
508.35574	8.4
520.35388	24.2
521.36182	4.4
585.39325	5.5
600.41705	34.7
600.56879	28.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.4173
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	6.3
54.40042	3.2
55.01872	5.5
55.05500	14.3
57.07069	12.1
59.05011	4.9
67.05507	33.0
69.03419	12.4
69.07082	15.9
70.15704	11.7
71.04974	3.4
79.05498	30.3
81.07053	35.9
83.04967	10.9
83.08636	8.0
85.06537	6.7
89.06030	8.0
91.05482	49.5
93.07047	61.3
94.52457	3.2
95.04961	15.3
95.08609	36.0
96.08959	3.4
97.06520	12.5
98.19245	3.3
103.05505	4.6
105.07034	82.4
107.04963	4.4
107.08602	44.5
109.06501	16.7
109.10143	14.4
111.08084	5.4
113.09532	3.3
115.05440	5.7
117.07005	23.7
118.07893	3.3
119.08587	69.5
121.06481	15.8
121.10152	46.2
122.07302	3.9
123.08068	23.6
123.11692	5.2
125.06036	5.4
125.09635	6.4
125.76419	3.0
128.06229	16.9
129.07002	17.0
130.07777	8.8
131.08572	40.6
133.06468	8.7
133.10130	40.6
135.08064	22.0
135.11665	10.6
136.32382	3.2
137.09595	16.1
139.07445	3.9
139.11142	7.0
140.69641	3.8
141.06987	8.1
142.07826	25.6
143.08580	42.1
144.09346	9.7
144.11319	3.5
145.06509	5.4
145.10133	48.6
147.08052	35.0
147.11697	14.2
148.08733	3.6
149.09601	17.3
151.07587	23.0
153.06982	3.5
155.08548	22.3
156.09320	19.1
157.10133	66.6
158.10880	11.9
159.08092	15.8
159.11693	31.8
161.09590	18.7
161.13300	6.2
163.07529	3.8
163.11153	16.5
165.07005	6.1
165.09125	47.4
167.08617	6.8
167.10686	12.9
168.09335	10.5
169.10165	25.3
170.10930	11.9
171.11688	30.1
172.12424	4.5
173.09613	12.1
173.13304	17.9
174.10355	4.2
175.11189	23.0
177.09088	6.0
177.12769	3.6
179.08513	7.1
179.10712	6.2
180.11484	3.8
181.10104	13.8
181.12196	10.2
182.10916	10.1
183.11711	26.3
185.09612	7.1
185.13225	21.5
187.11238	5.2
187.14857	4.5
189.12730	12.0
190.13510	11.4
191.10732	4.1
191.14249	4.1
193.10153	10.7
193.12209	9.1
194.11034	8.9
195.11732	23.1
196.12401	6.4
197.09630	4.9
197.13332	18.0
198.10420	3.7
199.11165	10.3
199.14818	10.5
200.35983	3.7
201.12737	7.6
203.14351	27.7
205.10152	5.9
206.10921	8.1
207.11693	12.7
207.13817	13.1
208.12512	10.6
208.14409	5.8
209.09683	4.2
209.13280	17.7
209.15152	3.2
210.13928	4.2
211.11147	6.3
211.14827	9.9
213.12767	9.1
215.14169	5.0
219.11696	4.7
219.13663	6.9
220.12491	4.4
221.13200	13.5
221.15327	82.8
223.14821	9.8
225.12695	10.0
225.16287	7.7
226.13422	3.4
227.14310	7.8
229.12167	4.0
229.15889	4.3
231.11684	6.4
233.13289	7.3
233.15239	23.0
234.16046	11.1
235.14864	6.9
237.12729	6.8
237.14726	37.0
241.12198	4.1
245.13185	4.6
246.13907	4.0
247.14824	5.4
247.17017	11.4
248.14078	11.7
249.16338	5.7
253.16078	3.9
255.17419	20.7
259.17123	3.9
261.16342	7.8
263.17996	4.6
265.16043	3.5
267.17557	4.1
268.18188	4.1
269.19128	4.6
270.19736	5.9
271.17072	4.7
274.19235	12.2
280.88666	3.6
281.18866	4.6
285.18634	7.2
286.19324	12.9
287.20020	9.7
294.19778	8.3
295.20779	3.9
297.18509	8.2
299.20056	13.4
303.19589	43.2
311.20132	4.0
312.21005	5.8
313.21725	20.3
319.20609	5.1
325.21655	14.8
337.21625	8.7
352.23984	100.0
365.24814	19.3
377.25235	4.0
383.25598	4.5
474.83441	4.2
477.43204	4.6
487.32175	5.3
502.34619	7.4
503.35092	7.0
505.33014	7.6
507.34583	11.9
508.34961	4.3
520.35352	38.0
582.40515	4.6
585.39282	4.7
600.41809	28.7
600.50293	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	600.4177
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	3.1
55.01884	1.4
55.05510	5.3
57.07080	14.3
59.05005	2.2
65.03945	1.7
67.05514	14.8
69.03430	10.4
69.07083	8.5
69.26311	4.1
69.26727	8.1
70.06597	3.2
71.05019	1.4
77.03893	1.4
79.05508	16.6
81.03423	1.4
81.07067	18.3
83.04560	1.3
83.04974	8.1
83.08660	1.7
85.06548	5.7
89.06034	6.9
91.05490	29.2
92.06274	1.9
93.07057	37.1
94.07346	1.7
95.04977	10.4
95.08623	22.6
97.06550	5.2
98.20792	2.6
103.05458	1.6
105.07042	52.7
106.07841	2.3
107.04932	2.3
107.08606	25.6
109.06534	12.6
109.10152	8.4
111.08038	2.1
115.05405	2.9
117.07040	13.8
119.08599	59.2
120.08886	1.1
120.09387	1.6
121.06512	9.2
121.10162	21.5
122.07265	2.4
123.08093	19.4
123.11681	1.9
125.06002	11.1
128.06241	5.2
129.06990	10.4
130.07808	4.1
131.08589	23.8
132.09395	2.8
133.06496	5.1
133.07553	1.8
133.08609	4.4
133.10152	23.7
134.10963	2.4
135.08064	22.0
135.11708	7.2
136.08821	1.6
137.05986	3.1
137.09642	15.9
139.07553	3.6
141.07016	4.4
142.07791	10.2
143.08571	24.8
144.09389	7.2
145.06491	2.3
145.10146	42.6
146.07309	1.9
146.10701	1.4
147.08058	31.4
147.11708	7.6
148.08719	1.7
149.09657	13.4
151.07549	12.1
151.11198	1.6
151.60196	1.4
154.07840	1.5
155.08578	11.8
156.09375	8.3
157.10158	31.8
158.10892	5.0
159.08115	9.1
159.11737	22.8
160.08844	2.6
160.12489	2.5
161.09644	10.2
161.13295	8.0
162.10414	2.4
163.07582	2.5
163.11209	19.9
164.11760	1.5
165.06981	3.4
165.09128	51.5
166.07837	1.4
167.08600	4.6
168.09329	3.9
169.10159	16.5
170.10936	6.3
171.08040	1.8
171.11697	18.9
172.08850	1.6
172.12431	5.0
173.09642	10.5
173.13248	9.1
175.11192	24.6
175.14876	2.3
177.09178	3.7
177.12785	3.6
178.09921	3.0
179.08591	5.1
179.10594	1.7
180.09349	2.2
180.11412	2.8
181.10280	7.9
181.12227	17.4
182.10944	5.7
183.11713	16.4
184.12473	4.8
185.09602	3.7
185.13336	9.0
186.10397	2.1
187.11209	5.7
187.14891	4.3
188.11850	1.5
189.12772	8.7
190.13509	9.0
191.10733	6.3
191.14352	2.4
192.09439	1.8
193.10210	5.1
193.12288	20.7
194.10941	3.5
195.11742	10.1
195.13513	1.7
196.12482	4.7
197.09674	3.2
197.13275	12.1
198.10335	1.6
199.11214	8.0
199.14862	4.5
201.12746	8.0
203.14348	21.8
204.14653	1.8
205.10118	1.9
205.12122	1.8
206.10971	2.4
207.11711	6.0
207.13823	9.1
208.12579	2.8
208.14621	7.3
209.13345	8.7
209.15070	1.9
210.10504	1.5
210.14055	2.1
211.11220	5.0
211.14862	9.8
212.11914	2.0
212.15457	1.7
213.12764	5.6
213.16341	1.6
214.13625	1.7
215.10602	2.2
215.14326	3.0
216.15181	2.8
217.12167	1.5
219.11790	3.0
219.13837	9.9
220.12619	2.5
221.13315	7.0
221.15373	100.0
222.15804	5.5
223.11267	1.7
223.14825	4.7
225.12714	4.8
225.16463	3.8
226.13425	1.6
227.14362	3.1
227.17914	1.7
229.12260	2.1
229.15852	4.4
231.13763	1.6
233.13252	3.3
233.15385	3.8
234.14035	1.4
234.16170	19.9
235.14832	3.5
235.16956	1.8
237.12769	6.6
237.16475	2.7
239.14355	2.9
239.17981	2.5
240.15152	1.5
240.18698	2.0
241.12206	1.8
241.15965	3.8
243.13881	2.3
245.15396	3.2
246.14098	1.5
247.14543	2.4
247.16972	35.8
248.17769	2.4
249.16336	2.8
251.14314	2.2
253.16000	4.8
255.17543	1.4
257.15396	1.8
259.16980	5.6
261.16205	1.7
261.18652	3.1
263.18045	1.7
265.15912	1.8
269.15524	3.8
269.18726	1.7
271.17053	4.1
273.18683	2.1
274.19318	14.9
279.17474	3.5
281.19055	3.3
283.26398	5.6
285.18607	4.0
286.19235	4.0
287.20078	14.9
295.20605	1.8
297.18668	2.1
299.20135	16.8
300.20575	2.4
300.29022	3.7
301.18707	1.4
309.18600	3.1
310.19437	1.8
311.20096	5.5
312.20807	8.1
313.21716	10.0
323.19940	2.1
325.21680	14.1
326.22659	1.5
327.23154	4.4
333.22119	2.3
337.21542	5.4
339.23181	7.0
340.24026	16.1
344.31552	2.2
351.23172	2.4
352.23993	30.7
353.24820	2.0
365.24802	8.3
366.25491	3.8
376.10327	1.5
377.24820	3.3
379.26224	5.5
387.25323	5.6
391.26495	3.4
392.27280	3.5
400.25882	2.5
402.27640	2.2
413.26889	5.3
419.29523	12.2
420.30151	4.4
425.26993	9.8
426.27679	5.8
427.28528	15.4
440.29254	46.5
442.30756	4.3
494.33774	2.8
505.32999	1.7
507.34570	2.3
508.35437	6.7
520.35553	24.6
521.36285	3.9
544.97095	1.7
546.33289	1.6
585.39343	3.0
600.41663	30.4
600.56012	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	600.2655
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03426	1.2
70.06578	1.0
72.08142	1.4
76.16681	0.7
79.58369	0.7
81.07031	0.9
85.02900	1.9
91.05479	1.6
105.07018	1.2
115.05450	1.7
117.06993	1.2
121.06520	0.9
123.81045	0.7
127.03922	0.8
128.06259	1.6
129.07007	5.2
130.07829	0.8
131.04947	1.3
131.08578	6.5
133.06461	1.4
133.10130	0.7
137.05975	1.3
141.07040	1.6
142.07788	1.1
143.08598	0.7
144.05707	1.8
145.06468	1.4
146.07251	1.1
147.04453	0.9
157.06508	3.3
159.08051	11.0
161.05965	1.2
161.09621	3.1
167.07143	0.9
169.07643	1.3
170.07326	1.3
171.08063	3.2
173.05972	1.6
175.07561	1.2
187.07550	8.5
189.09171	3.8
193.08614	0.8
199.07680	0.9
203.06996	1.6
204.07866	4.4
216.07858	1.7
219.10170	3.0
219.97223	0.8
221.11664	1.7
231.10249	3.4
249.11238	100.0
251.12773	2.8
267.12320	3.7
304.05347	1.3
305.05499	1.4
306.05704	1.0
309.16275	0.9
391.76480	0.8
600.26978	1.3
617.31702	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.4677
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.6
53.09050	0.9
55.01880	1.4
55.05271	1.4
55.05515	19.2
57.03442	7.5
57.07078	4.4
57.51819	0.9
61.04730	1.0
61.31541	0.8
65.03939	2.2
67.05509	56.4
69.07073	21.7
70.08979	1.9
70.09371	2.1
71.05005	1.8
71.08628	1.4
77.03937	1.0
79.05499	36.8
81.07062	67.9
83.04974	1.9
83.08630	11.0
85.06551	3.1
91.04906	1.3
91.05485	30.2
93.07050	42.6
95.04989	2.5
95.08612	55.3
97.06533	3.3
97.10190	6.3
99.08097	2.3
105.07039	31.6
107.08602	29.0
109.06576	1.2
109.10169	27.1
111.08076	2.9
111.11741	1.2
115.05523	1.0
117.07011	8.8
119.08591	32.5
121.09322	2.0
121.10148	25.7
123.08069	1.4
123.11710	7.6
125.09606	1.4
129.07022	4.2
131.08571	21.5
133.10147	24.0
135.08104	1.1
135.11697	18.6
137.09651	1.2
137.13272	3.6
139.11212	1.1
142.07759	1.1
143.08568	8.1
144.09251	1.5
145.09055	2.2
145.10132	26.3
147.11696	19.1
147.12781	1.6
149.09651	1.3
149.13254	7.7
151.14870	1.2
155.08578	3.0
157.10130	9.6
159.11711	17.9
161.13290	9.9
163.11182	1.3
163.14821	5.1
165.12793	1.0
169.10165	2.9
171.11722	7.6
173.13281	13.4
175.11256	1.3
175.13499	0.8
175.14813	6.0
177.16351	1.7
181.10167	1.9
181.19054	0.8
183.11710	3.5
185.13249	7.5
187.14819	6.9
189.16502	2.7
191.14415	1.5
197.13309	2.6
199.14842	4.1
201.16382	4.2
203.18051	1.8
211.14830	2.0
211.96272	1.2
213.16470	2.1
215.18031	2.1
225.16338	1.1
227.18031	3.2
229.19519	2.1
231.17461	1.2
233.19229	1.0
239.68739	0.9
241.19652	1.7
243.20920	1.6
245.18977	3.8
247.20547	5.0
249.22212	1.6
259.20547	5.7
261.22141	6.8
263.23758	1.7
273.22104	2.4
281.21283	1.2
285.22125	1.3
287.23740	1.4
295.22906	1.1
301.25327	1.3
303.23267	1.7
305.24844	1.0
313.25452	1.0
317.24881	1.9
319.22778	1.8
321.24402	6.9
323.25870	6.3
327.26782	1.7
333.24283	2.9
335.25824	6.7
337.27396	5.1
341.24655	1.1
341.28506	1.5
489.35507	2.1
503.37515	1.6
507.42047	8.2
525.43048	3.6
529.39001	1.5
543.40930	2.7
562.40973	1.0
574.00549	1.0
581.45740	13.6
599.46753	100.0
600.47296	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	599.4063
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38982	1.7
64.22218	1.8
65.34502	1.9
71.51496	3.0
79.79994	1.9
81.07077	4.1
81.61224	2.1
89.78179	1.9
93.07082	2.4
94.04218	4.0
94.29409	1.8
95.08617	2.5
105.07063	3.1
109.10231	2.5
122.03677	3.5
137.05995	100.0
182.15457	2.0
207.50636	1.8
294.20718	2.6
382.37030	1.9
505.91629	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.4672
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14196	0.9
53.03945	3.3
55.05275	1.5
55.05517	19.6
57.03440	5.6
57.07092	4.3
65.03935	2.5
67.05509	57.4
69.07075	19.5
71.04980	1.9
71.08634	1.2
72.58720	0.9
79.05500	32.2
81.07063	60.6
83.08627	12.6
85.06533	1.5
91.05486	26.4
93.07050	41.6
94.73589	0.9
95.04977	2.3
95.08614	51.5
95.49528	0.9
97.06527	3.7
97.10159	5.7
98.21376	4.5
99.08070	1.3
103.05505	1.6
105.04543	1.1
105.07037	28.9
107.06383	0.8
107.08604	30.8
109.06522	2.0
109.10163	27.2
109.42483	0.8
111.08111	2.2
117.07016	9.8
119.08587	26.7
121.10154	21.5
123.08072	1.7
123.11722	10.1
125.09641	2.6
128.06223	0.8
129.06963	4.3
130.07788	0.9
131.08572	20.5
133.09126	1.3
133.10141	23.0
135.11691	14.9
137.13269	3.3
139.11151	1.1
139.79063	0.9
141.07025	1.2
142.07858	0.9
143.08583	9.3
144.09325	1.2
145.09052	1.7
145.10132	21.8
147.11703	17.8
149.09604	1.2
149.13280	8.3
151.11201	1.2
151.14842	1.1
151.58627	1.0
155.08549	2.2
157.10185	6.7
159.11713	18.2
161.13249	11.9
163.11111	1.4
163.14842	4.5
169.10136	2.8
171.11711	8.5
173.13263	14.1
175.14879	4.9
177.16437	2.5
183.11710	2.8
185.13251	6.2
187.14836	7.7
189.12793	1.2
189.16417	2.6
195.11633	1.4
197.13347	1.7
199.14848	4.9
201.16309	4.3
203.17986	1.8
205.19627	1.0
209.13373	1.3
209.15390	1.0
211.14922	2.2
213.16469	2.0
215.18036	2.2
217.19574	1.3
225.16331	1.6
227.18059	2.9
229.19606	2.2
231.21062	1.5
233.19070	1.1
241.19716	2.5
243.21059	1.7
245.19029	3.7
247.20601	4.5
249.22163	1.1
255.19479	1.4
259.20587	5.1
261.22171	5.3
273.22119	1.2
277.21713	1.3
281.21078	1.3
299.23856	1.1
303.23221	1.2
313.25235	1.3
319.22720	3.3
321.24301	10.7
323.25766	4.5
327.26898	1.1
332.09958	1.0
333.24283	3.6
335.25784	7.9
337.27399	4.8
341.28384	2.0
347.25995	1.1
351.25439	0.9
375.28595	1.1
461.32126	1.3
503.36942	2.0
507.41916	8.0
525.42950	6.3
529.38928	1.9
581.45752	13.6
599.46686	100.0
600.47400	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	599.1678
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53246	0.9
53.69731	0.8
56.96561	2.2
58.66161	0.8
69.03418	1.5
69.49917	1.5
69.50330	5.1
70.99828	1.3
81.03416	1.3
82.99808	5.3
84.96082	1.5
85.02924	2.2
86.99348	1.4
87.04443	1.1
94.99854	1.6
97.02898	3.1
98.20765	1.9
98.97593	13.5
101.00891	26.0
109.02855	1.0
110.97582	6.7
113.00877	6.9
115.02456	1.5
116.98631	3.0
118.08736	0.9
119.01937	28.9
127.02415	5.1
128.98619	4.1
129.03995	3.2
129.28816	0.8
131.01915	13.1
133.03502	1.8
137.02974	2.0
139.02419	2.5
141.03960	1.8
143.00180	1.8
143.01913	49.6
143.05542	3.2
144.02071	0.9
145.03474	12.6
145.07100	1.1
145.64893	1.0
147.01326	0.9
149.02977	1.5
153.04037	5.0
155.01904	27.2
157.03479	10.8
157.08173	0.9
158.99707	3.5
159.01436	2.8
159.05052	6.5
161.02974	54.7
161.06624	2.1
167.01932	13.4
169.03488	4.9
170.99675	6.7
171.01224	1.3
171.05060	18.2
173.01477	1.4
173.02972	27.1
175.04512	2.5
177.00699	2.2
179.01996	8.0
179.52365	1.0
182.99701	3.1
183.05080	3.1
185.02983	37.3
185.06572	13.1
186.03099	1.1
187.00941	2.2
187.04523	7.1
187.08231	4.8
189.00725	2.9
189.06114	2.4
191.03932	4.5
195.05170	1.3
197.02983	14.4
197.06570	4.0
199.04512	3.0
201.00768	5.9
203.02257	0.7
203.04002	18.4
203.07597	8.0
205.01965	5.6
205.05646	3.4
209.02972	2.0
211.04521	1.4
213.00659	1.3
213.06142	6.4
215.04047	8.0
215.07458	1.2
217.02007	1.3
217.05711	1.1
219.01787	5.0
221.03352	1.1
221.05138	5.6
225.06123	1.3
227.04062	9.6
231.07156	24.4
233.05147	1.0
235.89821	1.1
237.02802	3.6
239.04318	5.0
243.01828	3.8
243.07175	2.8
245.05103	100.0
245.08673	5.1
246.05365	1.0
247.02844	1.7
255.07150	2.0
257.05118	9.3
259.06607	1.2
261.02817	9.1
261.08099	3.3
263.06177	29.0
264.06717	1.1
264.38074	1.0
269.05231	1.0
271.03198	1.4
271.06366	1.1
273.08261	10.3
275.06161	11.2
275.09262	1.9
279.03870	3.5
281.05487	4.0
285.08145	2.9
287.06100	5.1
289.04086	3.4
291.04172	1.6
291.09268	10.0
293.07135	2.6
295.02863	1.0
303.09378	2.2
305.07257	10.0
307.05203	7.4
307.08365	1.5
315.09271	2.3
317.07199	3.8
321.04904	1.8
325.06381	1.5
329.03546	1.6
333.10345	10.9
335.08182	3.5
347.08304	1.6
351.11383	4.4
365.09323	12.2
375.11340	1.5
377.09232	1.8
381.07013	1.9
393.12506	3.1
417.04782	13.9
419.09937	1.3
425.11536	13.0
437.11584	3.5
469.10440	18.0
513.16699	5.3
555.18134	1.3
599.16937	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.1265
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96564	6.3
64.69775	1.2
71.50060	3.1
77.45189	1.2
84.96052	6.4
93.84367	1.4
98.97586	75.3
110.97575	30.4
112.99152	2.8
116.98600	9.7
124.99143	3.6
128.98624	18.3
131.00139	1.7
140.98582	7.7
143.00151	10.0
146.99664	3.7
152.98613	5.4
158.99660	24.0
161.01251	7.4
170.99655	43.7
171.01076	2.4
173.01259	2.1
177.00723	8.6
179.02289	4.9
182.47318	1.9
182.99667	22.4
185.01215	1.8
189.00714	17.4
195.01601	1.4
201.00722	40.0
207.92134	1.5
213.00735	5.0
219.01778	30.4
221.03354	8.8
221.05167	1.6
231.01807	4.3
237.02794	11.7
239.04416	22.2
243.01784	21.7
254.99423	2.3
261.02835	67.8
273.00400	2.7
273.02927	4.9
279.03845	24.6
281.05450	37.8
291.03812	10.9
293.05487	1.7
311.06592	7.3
321.04907	21.8
333.05069	3.7
341.07666	7.1
351.06009	8.0
381.07074	9.8
383.08517	2.2
399.08194	6.3
401.09793	1.5
417.04727	100.0
418.04962	2.3
435.05618	7.5
509.08554	1.6
563.15765	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	599.0741
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22499	0.5
54.90958	0.4
55.01875	1.3
56.96569	7.6
57.03444	12.8
58.99880	1.8
61.02920	0.8
68.98288	2.7
69.03444	5.7
69.18034	2.1
69.18452	3.9
70.99857	0.7
71.01357	5.7
73.02944	1.0
77.00900	0.7
81.03427	2.7
82.99850	1.3
84.96032	6.7
85.01419	1.4
85.02920	7.3
86.06061	1.2
86.99343	4.0
87.04470	1.0
90.09248	0.5
94.99783	3.3
95.01314	0.9
97.01406	5.7
97.02910	7.1
98.20789	1.0
98.96947	0.8
98.97591	14.3
98.98210	1.1
99.04460	0.7
101.00887	11.6
102.96910	0.7
103.02470	1.8
105.00390	3.0
109.02876	1.3
110.97572	11.3
112.99214	3.3
113.00880	56.6
114.00974	1.0
115.00685	0.6
115.02437	16.2
115.03883	0.6
116.98636	4.4
117.04040	0.5
119.01934	13.9
120.02565	0.6
121.01648	0.7
122.99284	1.1
125.00838	2.9
126.97147	0.8
127.02445	7.5
127.03922	1.5
128.98639	6.6
129.00319	4.7
129.01897	0.9
129.03967	1.4
131.00246	3.0
131.01920	100.0
132.02011	1.3
133.01704	0.8
133.03487	6.7
136.02431	0.5
137.00844	1.1
137.02948	1.1
138.97043	0.9
139.02440	1.4
140.98686	0.8
141.00337	10.5
141.03976	1.0
143.00272	2.8
143.01917	19.2
143.99220	0.6
144.98111	1.1
145.01759	1.1
145.03482	23.0
145.04738	1.2
146.99649	2.2
147.01405	9.6
147.03209	0.6
147.05061	0.6
149.01141	0.7
149.02994	4.2
151.02420	6.8
152.98607	1.1
153.00342	3.3
153.04048	1.2
153.53404	0.5
154.03596	1.6
155.00163	0.6
155.00526	0.7
155.01941	11.5
155.03229	0.7
156.98076	2.2
157.03523	4.8
159.01411	83.9
159.05051	2.3
160.01485	1.3
161.01274	1.6
161.02971	9.7
161.04318	0.8
161.06676	0.6
162.99130	0.8
163.02792	2.4
163.04564	1.9
165.00365	0.7
167.01891	4.8
168.98067	1.2
168.99844	1.9
169.03473	29.7
170.03598	0.7
170.99722	2.1
171.01402	21.8
171.05086	3.3
173.01309	2.3
173.02989	8.2
174.99174	4.1
175.00793	1.0
175.02560	0.8
177.00920	1.1
177.02469	12.4
177.04205	1.6
178.04980	1.4
179.01971	10.0
180.99867	1.4
181.03461	3.3
182.03011	1.0
182.99843	0.8
183.01418	6.2
183.02974	1.0
183.05008	1.1
185.02943	9.9
185.06654	1.0
186.99173	2.0
187.00909	6.6
187.02621	0.9
187.04538	1.5
189.00706	2.0
189.02455	6.7
189.04167	0.9
190.03061	0.7
191.02228	1.3
191.03976	0.6
193.00056	1.0
195.01407	6.1
197.02980	49.6
198.03142	1.1
199.00874	7.6
199.04633	1.3
201.00836	0.9
201.02457	5.6
201.04243	1.0
201.06047	0.9
201.35640	0.6
203.02313	1.2
203.04044	2.0
205.00174	0.9
205.01973	2.1
205.03775	0.9
207.01416	5.3
207.03204	1.0
209.02968	2.5
211.00941	5.4
211.04681	0.9
213.02470	9.8
213.04366	0.4
214.98593	2.2
215.00444	2.9
215.04044	4.4
217.00157	0.9
217.01955	2.3
219.01785	4.7
219.05264	1.1
219.07156	0.8
220.04477	1.0
221.03186	1.2
221.05052	1.9
223.00952	3.5
223.04680	0.7
225.02449	14.3
227.00430	1.2
227.03995	1.1
229.02043	6.9
231.03535	2.4
231.07098	0.7
233.01453	0.9
235.01004	1.4
235.06432	0.6
237.02759	6.2
239.00412	2.9
239.04407	2.3
241.01993	8.9
242.99786	2.9
243.03531	7.3
245.01414	3.5
245.05153	1.2
247.02983	0.7
249.04597	0.9
251.08000	0.6
253.01979	5.5
255.03604	2.6
255.07031	0.6
257.01483	1.4
259.03061	5.5
260.08105	0.8
261.04605	0.9
261.08273	2.0
262.05292	1.0
263.02457	1.9
265.01926	2.0
268.00925	0.8
271.03052	15.6
271.05685	1.4
277.03986	1.2
279.09171	2.3
280.01682	0.7
281.01608	3.0
283.03073	2.8
287.02530	0.7
289.04105	3.6
293.09210	0.7
299.02524	14.4
301.01566	0.5
301.04147	6.4
301.07437	1.2
305.10773	1.8
307.06912	3.5
307.10495	1.4
311.02521	18.8
311.06067	0.9
317.03546	10.4
319.05029	1.3
321.04919	1.9
321.10123	3.3
325.08057	1.6
327.00101	1.0
329.03595	67.6
330.03763	2.6
332.04236	1.7
334.04523	0.7
337.08167	0.9
339.09558	1.7
339.59528	0.7
345.01462	3.2
345.04977	0.6
345.10153	0.9
347.04614	20.6
347.36008	0.6
348.05118	1.0
352.04858	1.8
353.03479	1.7
371.04626	15.6
389.05551	1.9
397.02423	2.9
399.03955	1.7
401.05560	1.5
404.10779	0.9
404.60873	1.4
411.04221	3.3
411.61694	0.9
415.03650	3.4
420.11804	0.7
420.62259	0.9
421.12888	0.8
423.04062	9.1
427.03537	2.1
429.05014	2.0
439.03748	3.1
441.05029	3.1
459.06262	7.8
469.04532	1.5
487.05469	1.2
507.06955	1.3
509.03958	5.6
529.07184	3.1
549.12988	1.0
599.07141	17.6
599.17480	1.3
600.07159	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.3437
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.7
55.01870	1.7
55.05516	4.6
56.05032	5.9
57.03442	1.9
57.07093	0.7
58.06630	0.7
60.04530	100.0
61.02938	2.3
67.05506	8.6
68.05034	1.7
68.99806	1.4
69.03433	15.9
69.07076	3.8
69.68304	3.1
70.06612	2.9
70.69315	0.6
71.04991	3.7
72.04518	2.8
73.02934	2.3
74.06077	4.2
75.33275	0.6
79.05495	5.6
80.05022	1.7
81.03424	13.3
81.07061	12.7
82.06593	2.4
83.05018	1.2
83.08635	2.0
84.04535	1.6
84.08192	0.7
85.02911	22.9
86.06078	3.1
87.00827	7.6
90.05582	0.9
91.05492	3.2
93.07048	5.7
94.06577	2.1
95.04977	1.3
95.08609	11.1
95.09167	0.8
96.08167	1.3
97.02901	6.8
97.06534	0.9
97.10204	1.9
98.06079	1.1
99.04449	4.2
102.05560	1.7
104.07132	2.7
105.01883	3.6
105.07067	1.9
107.08627	3.6
108.08141	0.7
109.02892	10.0
109.10161	4.4
110.06009	0.7
111.04491	0.6
117.01851	0.9
119.08586	1.5
120.08191	0.8
121.06519	0.6
121.10150	3.7
122.06020	0.8
123.11744	1.2
125.09599	0.9
127.03923	13.0
127.04807	0.9
129.01869	1.7
131.04947	1.3
131.08609	1.3
133.10184	1.4
134.06158	0.6
134.09688	0.9
135.11723	2.0
137.13248	0.8
145.04991	3.0
147.02896	0.9
149.13263	1.4
152.07144	1.2
156.54018	0.6
159.02914	3.4
161.13298	1.1
167.07066	1.0
170.08168	0.9
231.04996	1.3
234.22276	0.8
236.20120	1.3
248.23811	0.7
252.23203	1.0
254.21242	0.8
260.23660	2.9
261.22086	1.4
266.12387	0.8
266.24887	0.8
269.77615	0.7
270.24329	1.0
272.22302	1.0
274.09256	0.7
278.24774	8.6
288.25540	1.5
290.23193	0.9
296.25879	9.3
310.11441	2.2
314.26895	8.8
332.27985	23.6
338.27191	0.8
350.29031	83.7
351.29202	1.5
368.10352	0.9
369.10788	3.0
374.29218	1.2
392.30042	2.9
400.93283	0.7
440.30389	0.9
474.15219	0.6
500.32571	0.9
512.33978	1.3
534.18652	0.7
536.34381	1.1
544.30963	2.0
554.35480	5.9
562.32263	2.4
580.33368	6.3
598.34351	72.4
599.34607	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.3446
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35795	1.1
53.03957	2.5
55.01866	1.8
55.05523	7.8
56.05042	6.0
57.03443	2.0
60.04535	100.0
61.02932	2.6
67.05510	10.5
68.99795	1.4
69.03434	11.4
69.07079	3.1
70.06587	3.9
70.49628	3.1
71.04980	3.9
72.04518	3.3
73.02920	2.5
74.06082	3.6
79.05502	6.8
79.62743	1.0
80.05014	2.0
81.03426	12.6
81.07061	11.1
82.06581	1.8
83.04993	2.7
83.08629	3.2
84.04525	2.9
84.08188	1.1
85.02914	17.6
86.06099	2.7
87.00842	7.1
91.05482	4.5
91.77887	1.0
93.07061	7.0
94.06602	1.6
95.08624	8.4
97.02906	8.9
97.06543	1.1
97.10165	1.1
98.06020	1.1
98.09723	1.2
98.20796	1.4
99.04459	4.6
100.07622	4.0
100.11274	10.1
102.05540	2.9
104.07122	2.8
105.01870	3.7
105.07037	3.2
107.04966	1.5
107.08605	3.5
109.02907	10.1
109.10176	5.3
111.04460	3.7
116.07100	1.6
117.07071	1.4
119.08583	3.4
121.10159	3.7
123.08115	1.4
123.11743	2.8
127.03931	12.7
128.07088	2.6
131.04906	1.4
131.08626	1.4
133.10173	2.4
135.11707	3.1
140.07095	2.1
145.04971	2.7
147.11723	1.9
149.13315	2.0
159.02895	3.4
167.07118	1.8
182.15475	8.9
209.16554	2.5
210.14909	12.4
227.17419	1.6
248.23862	1.4
278.24777	7.2
296.25894	11.4
310.11502	1.9
314.26904	9.5
332.27972	30.0
337.21417	1.3
350.29050	58.8
354.23923	1.3
392.30060	2.3
512.34039	2.1
536.34198	3.0
544.31262	2.6
554.35718	5.8
562.31781	1.2
580.33075	11.1
580.41034	2.5
581.38959	2.9
598.34308	90.6
598.41931	4.9
599.34381	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.3035
Annotation	Neobonaspectin B
Peak:m/z	Relative Intensity
55.05513	10.1
57.03455	6.7
57.07079	3.3
60.12199	1.3
65.03925	2.7
67.05506	29.3
69.03432	1.8
69.07070	15.1
70.91178	3.1
70.91537	1.5
71.05024	1.6
76.34442	1.4
78.96648	1.7
79.05501	10.4
79.50238	1.3
81.03421	10.5
81.07056	28.9
83.08632	7.4
85.02925	2.9
91.05482	8.6
93.07053	9.3
95.04957	2.0
95.08611	21.4
97.06547	3.1
97.10155	4.3
98.98471	26.1
99.04493	3.1
105.03420	1.8
105.07043	5.7
107.08604	5.6
109.02885	8.6
109.10129	7.8
119.08558	3.0
121.10165	5.5
123.11742	4.6
133.10129	2.3
144.37253	1.4
147.11662	2.8
149.02359	5.1
155.01076	3.5
161.13229	2.1
162.03165	2.0
162.53300	2.0
202.87961	1.4
245.22679	2.3
261.03687	8.0
263.23770	3.2
301.20193	10.2
303.05106	3.2
304.03226	1.4
335.07291	3.0
337.27386	100.0
338.27747	1.7
339.18481	1.8
339.68558	2.2
352.70816	1.5
537.29883	2.5
580.14166	2.3
589.89478	1.8
596.60663	5.7
597.11127	4.7
597.37933	1.7
622.63904	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.3228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	0.7
53.96409	0.7
55.01868	2.1
55.05510	6.0
57.07067	0.7
60.72816	0.7
67.05517	5.2
69.03410	2.6
69.07066	4.6
70.06576	0.7
70.81483	0.9
70.81821	1.6
74.43089	0.7
79.05515	0.8
81.03400	3.3
81.07043	3.8
85.02899	7.8
87.00821	3.1
91.05452	1.6
93.07043	1.1
95.08615	31.1
97.02893	3.7
97.10184	8.6
99.04434	1.7
105.01881	4.2
105.07035	1.3
107.08545	1.0
109.02890	3.5
109.10168	7.3
113.09652	1.0
119.08601	0.8
121.06479	1.7
121.10111	0.9
123.00686	0.8
127.03905	4.7
132.05734	1.9
133.10135	1.6
135.08083	1.0
144.05695	2.1
145.04956	2.8
146.07275	1.5
147.08066	5.7
149.02356	2.0
149.09576	0.8
150.02682	1.4
155.08453	0.7
158.07292	2.2
159.02888	2.3
159.08066	6.3
161.09619	3.2
163.11209	4.6
170.07289	1.5
171.08076	9.3
173.09653	4.8
175.11176	0.8
177.12909	1.3
183.08180	1.0
184.08908	1.4
185.09633	6.9
187.11104	2.0
189.12758	14.3
193.04939	0.8
194.05307	0.9
195.05521	1.1
197.09671	1.2
198.10423	2.7
199.11188	5.6
200.12025	0.8
201.12689	5.1
203.14331	4.0
211.11124	1.6
212.11905	1.2
213.12759	20.1
214.13116	0.8
215.14359	8.4
225.12874	2.0
227.14349	5.4
228.15022	3.1
231.04997	2.9
239.14365	1.3
240.15108	5.0
241.15961	6.4
242.16644	1.0
243.17548	0.9
243.71675	0.8
254.16624	2.6
255.17455	14.4
259.12585	0.9
269.18954	1.0
297.22141	100.0
298.22342	1.5
315.23206	13.3
438.85974	0.8
509.24969	1.3
527.26141	0.8
580.13916	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.1455
Annotation	Peltatoside
Peak:m/z	Relative Intensity
55.01863	0.4
57.03426	1.1
58.65117	0.3
61.02912	1.4
69.03416	1.0
69.18709	1.9
69.19129	1.1
71.04963	0.4
73.02922	8.3
82.31783	0.4
85.02908	1.3
92.08411	0.4
93.03407	0.6
97.02881	0.6
109.02892	0.3
111.00766	0.5
115.03931	0.9
121.02879	1.2
127.03923	0.3
130.05011	0.8
137.02330	2.9
139.03918	0.8
147.04428	1.0
149.02301	0.9
153.01842	2.7
161.05968	0.3
163.03931	0.9
165.01886	2.1
173.05931	0.4
182.33395	0.3
183.02910	0.7
187.04059	0.3
201.05463	1.0
213.05540	0.5
219.02921	0.5
219.06430	0.4
229.04977	3.9
247.06076	0.6
257.04526	2.3
265.91858	0.3
274.04767	0.8
275.05444	0.4
285.04001	0.9
287.05560	3.8
288.05875	3.6
289.06091	3.8
303.05014	100.0
304.05331	1.1
329.08136	0.5
330.08463	0.7
400.34418	0.4
459.13040	0.5
465.10376	9.4
478.83640	0.3
537.62604	0.5
541.61792	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.1821
Annotation	6,8-Di-C-glucopyranosylnaringenin
Peak:m/z	Relative Intensity
53.91013	5.9
55.01875	11.1
64.60983	6.1
70.86229	14.5
79.80156	5.9
81.03442	10.3
85.02910	26.0
86.03204	7.0
87.44960	6.3
93.03436	13.0
97.02902	13.8
107.01385	6.7
107.04980	17.2
109.02895	10.8
109.41251	6.7
119.04958	10.0
121.02891	24.1
121.06519	6.6
123.04423	17.0
131.04944	9.0
135.04434	20.9
139.03922	10.3
147.04390	33.9
149.06049	6.8
153.01846	15.1
159.04433	8.6
161.06027	10.6
163.03947	10.5
165.01878	9.4
173.02318	8.4
175.03876	7.1
175.07532	7.5
176.31706	6.1
177.01840	25.7
177.05533	11.6
179.03447	8.0
187.03989	10.3
189.01877	26.5
189.05481	9.7
191.03381	12.6
195.02954	28.5
199.03792	7.0
201.05484	17.1
203.03415	16.2
205.01315	14.2
207.02992	49.2
215.03455	20.0
219.02910	92.6
221.04297	9.8
223.02344	9.7
225.03902	13.2
227.03409	7.2
229.04976	20.3
231.02934	51.5
233.04475	21.7
237.03989	17.7
243.02911	29.0
245.04425	7.8
247.06000	9.6
249.03981	17.5
255.02969	14.7
257.04550	20.3
259.02429	7.0
261.03955	100.0
269.04462	8.4
271.05954	10.2
273.03934	61.9
285.04013	49.8
287.05527	85.1
288.05887	59.1
289.06067	76.9
291.05042	27.3
297.04135	14.1
297.07422	12.1
299.05576	11.6
303.04953	43.2
309.03903	6.5
309.07571	11.4
315.05215	10.2
321.06284	20.5
327.05603	33.7
327.08347	37.0
339.08508	37.3
345.06116	21.0
351.08670	15.3
357.05887	8.5
363.07010	33.2
375.07120	10.6
381.10007	35.0
387.07220	9.9
393.09290	26.7
405.08548	40.4
411.10678	8.9
417.09714	7.4
423.10315	26.4
429.11703	35.9
441.11337	29.5
447.10739	32.4
450.10934	6.6
451.11545	7.2
459.12656	23.7
465.11502	13.9
483.12836	15.9
495.13028	15.0
507.13016	10.3
543.15033	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	597.1459
Annotation	Peltatoside
Peak:m/z	Relative Intensity
57.03443	3.4
58.17803	0.6
58.87524	0.5
61.02934	3.7
62.79985	0.5
63.81400	0.5
68.99368	0.5
69.03445	3.2
70.79473	1.0
70.79816	0.7
71.01371	0.9
73.02618	0.5
73.02929	5.7
73.54903	0.6
85.02932	4.6
91.03968	2.6
92.68370	0.6
92.74158	0.5
97.02934	3.7
111.00834	0.8
115.03939	3.1
121.02927	1.0
127.03930	1.8
137.02335	4.3
153.01863	3.8
163.06078	0.7
165.01859	2.5
183.02869	1.0
201.05515	1.2
229.05017	4.2
247.06139	0.7
257.04529	2.6
265.12329	0.7
274.04919	0.7
285.04034	1.1
287.05573	2.1
288.05811	1.3
289.06174	1.8
303.05045	100.0
304.05249	1.2
315.05026	2.7
327.04898	0.7
345.06161	2.6
369.06079	2.6
465.10477	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.4528
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43110	1.6
53.03956	3.8
55.05300	1.6
55.05519	15.0
57.03432	6.0
57.07072	4.7
62.19858	1.5
65.03952	3.7
67.05513	68.4
69.03418	1.8
69.07070	14.1
70.06586	1.6
71.04641	2.6
71.05000	23.3
71.22813	2.3
72.79535	1.4
79.05502	38.6
81.07066	87.3
83.04992	2.7
83.08627	7.2
85.06544	6.7
88.07638	3.1
91.05498	28.6
93.06493	2.5
93.07060	42.9
95.04968	4.2
95.08623	28.4
97.06544	4.9
97.10138	3.5
105.07043	14.5
107.08607	19.4
109.10172	10.4
111.08078	2.3
117.07029	5.2
119.08624	8.7
121.10158	14.6
123.11720	11.0
131.08603	7.7
133.10153	12.1
135.11690	6.2
145.10165	5.3
147.11696	4.4
149.13275	5.1
151.11180	5.9
159.11720	6.8
161.13211	4.5
173.13229	2.2
183.13898	3.0
187.13341	3.6
209.54501	1.4
261.22052	2.9
269.17590	3.9
283.19373	1.8
301.20163	10.2
311.29465	5.4
312.32587	3.1
335.25842	37.1
359.97833	1.7
375.06659	1.6
485.36093	2.4
503.37405	100.0
504.38037	2.3
517.38757	5.4
529.38818	6.8
561.33539	3.0
561.41577	39.7
595.58582	1.7
596.48218	2.7
596.59320	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	596.328
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	4.6
53.67241	0.8
55.01864	2.9
55.05508	2.1
55.72651	0.8
56.05027	3.9
56.32317	0.8
57.03439	3.7
58.06593	0.7
60.04530	100.0
61.02930	1.7
67.05507	12.4
67.70202	0.8
68.05045	1.4
68.99790	1.2
69.03436	15.5
69.07081	2.4
70.06602	1.7
70.48304	2.9
71.04989	3.1
72.04522	3.2
73.02921	2.1
74.06092	4.3
76.87455	0.8
77.01262	0.8
79.05498	9.5
80.05019	1.9
81.03424	16.1
81.07054	13.0
82.06587	2.8
83.04962	1.7
83.08616	1.0
84.04504	2.2
85.02911	24.0
85.06557	1.5
86.06064	2.8
87.00835	8.4
87.04473	0.9
91.03987	1.1
91.05480	7.4
92.45821	0.8
93.07046	8.5
94.06577	3.0
95.04977	1.0
95.08624	12.3
96.08154	1.4
97.02914	6.1
97.10214	1.0
98.06048	0.9
99.04473	4.4
102.05546	2.4
104.07102	2.6
104.23029	0.8
105.01870	3.8
105.07040	6.0
107.08607	3.9
109.02876	11.3
109.05316	1.0
109.10161	3.2
110.06004	1.3
116.07120	1.3
117.01868	1.1
117.07026	1.8
119.08578	3.1
121.10139	4.7
122.09702	0.9
127.03931	14.0
129.01854	1.4
131.08575	3.1
133.10146	3.4
135.11691	2.3
143.08548	1.1
145.04967	2.3
145.10124	1.8
147.02853	1.1
147.11667	3.1
152.07053	0.9
159.02922	3.1
159.11693	1.0
161.13292	1.3
162.92068	0.9
185.13368	1.0
215.17961	1.2
231.04903	1.3
250.08385	0.9
250.21631	1.3
274.09210	1.3
276.23233	3.5
286.23795	2.1
288.21735	1.3
294.24283	6.4
310.11401	3.1
312.25375	7.4
330.26425	23.7
348.27460	95.5
349.27875	2.6
372.27451	1.8
390.28464	3.4
420.27637	0.9
498.30798	1.3
510.32529	2.1
524.28918	1.6
534.32294	1.0
542.29626	2.4
552.33740	6.1
560.30884	1.9
578.31641	6.6
596.32788	77.1
597.33105	3.9
608.27820	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2883
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.8
55.05499	7.7
57.03429	7.3
58.13374	1.6
65.03963	1.8
67.05507	31.6
69.03406	1.6
69.07062	6.1
71.32827	1.9
71.33163	2.1
79.05504	16.4
81.03416	8.4
81.07053	29.9
83.08623	2.6
85.02901	2.2
91.05491	9.7
93.07056	17.5
95.08618	22.4
97.10172	1.9
98.98469	25.6
105.07039	8.6
107.08588	7.8
109.02878	7.9
109.10175	9.8
117.06982	2.0
119.08562	3.1
121.10146	7.4
123.11700	2.4
124.03973	2.6
127.03926	2.7
131.08568	4.7
133.10149	3.2
135.11710	2.9
138.72095	1.9
140.88808	1.7
149.13332	3.3
161.13310	1.9
163.06085	2.0
173.02135	2.6
173.13214	2.3
187.14803	1.7
203.14561	1.8
261.03751	6.6
261.22144	5.1
287.05508	12.5
335.07059	2.9
335.25815	100.0
435.29111	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03062	3.6
53.03942	6.0
65.08295	3.2
67.05510	6.6
71.50243	4.6
74.86607	3.1
77.93559	3.2
79.05521	4.6
81.07040	3.9
83.04975	11.5
85.02911	4.0
91.05487	7.1
93.07036	7.1
95.04962	11.0
95.08599	4.5
99.20244	3.3
99.99255	4.0
105.02727	6.9
105.03398	100.0
105.04484	6.5
107.04973	4.2
107.08602	7.8
109.10135	3.8
111.04388	3.7
117.07025	4.3
119.08540	7.9
121.06528	6.1
127.03940	6.7
129.07042	4.3
131.08609	3.7
135.04439	4.4
135.08089	8.1
137.05998	6.9
137.09636	6.8
142.07773	7.6
143.08713	3.9
147.04391	3.8
149.05919	4.6
153.05447	4.8
153.80495	3.7
157.10080	7.6
159.11758	3.7
163.07626	8.5
164.08403	9.7
175.11259	4.7
181.08560	15.2
185.09607	23.4
187.11133	4.2
189.09157	4.3
197.09587	3.2
203.10779	5.8
208.78824	3.0
213.09122	13.6
215.10661	9.8
231.10184	20.1
233.11765	8.8
241.08629	4.4
249.11322	15.8
259.09744	19.9
277.10800	22.7
287.05478	13.0
288.05856	19.0
291.12186	3.5
295.11905	7.8
309.13507	6.1
319.11707	15.0
337.12994	20.5
351.14264	12.2
352.80576	3.6
379.13635	3.7
397.15100	3.5
432.09698	3.5
459.16406	3.5
621.94598	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	596.2498
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45976	0.2
51.02376	0.4
52.65376	0.2
52.67746	0.2
53.03941	0.7
53.70215	0.2
55.01890	0.3
55.05511	0.6
57.03447	0.3
57.07055	0.3
67.05505	1.9
69.03436	0.4
69.07081	2.2
71.26495	0.4
78.03470	2.0
79.05512	1.7
80.05025	4.3
81.07069	2.4
83.04970	0.2
86.86013	0.2
91.05491	1.6
93.07056	2.2
95.04968	0.6
95.08626	2.7
96.04504	3.3
97.06534	0.3
99.08064	0.3
103.05470	0.4
105.03409	3.0
105.04519	0.4
105.07036	3.1
106.02241	0.4
106.02917	4.4
107.04979	0.6
107.08588	1.3
109.06522	0.5
109.10181	0.7
111.08107	0.4
115.05514	0.4
117.07017	1.1
119.08584	1.9
121.06544	0.4
121.10149	0.9
122.02432	0.3
123.08070	1.1
123.11720	0.3
124.03967	100.0
125.04324	0.9
128.06233	0.8
129.07042	0.8
130.07814	0.3
131.08589	2.2
133.06531	0.6
133.10147	1.2
135.08061	0.6
135.11708	0.8
141.07004	0.4
142.07785	0.8
143.08569	3.2
145.06546	1.1
145.10135	4.3
147.08069	1.6
147.11720	0.6
149.09663	0.5
149.13203	0.3
151.07558	0.4
155.06026	0.3
155.08562	1.5
156.09352	0.5
157.10100	1.2
158.07275	0.4
159.08034	0.6
159.11707	0.6
161.09621	2.0
161.13304	0.6
163.11244	0.5
163.14944	0.4
165.07031	0.3
165.09177	0.3
169.10104	0.4
170.10886	0.6
171.08116	0.8
171.11703	1.2
173.09631	5.3
173.13361	0.3
175.11203	2.2
175.14769	0.3
181.08614	0.4
185.09750	0.4
185.13324	2.2
187.11203	0.4
187.14886	0.5
189.09183	0.6
189.12779	0.5
191.10672	3.3
193.08725	0.3
195.11699	0.9
201.12749	0.7
203.14337	2.8
205.91829	0.3
213.12775	3.4
219.13860	0.4
221.15465	0.4
226.04619	0.3
231.13820	6.9
233.11891	0.4
243.21227	0.8
249.14876	3.0
261.22153	2.6
273.14951	1.0
287.05539	0.4
288.05792	0.7
291.15961	1.6
296.12805	0.3
309.16946	0.3
314.13953	1.7
335.25906	0.7
336.16092	0.3
353.26898	0.8
354.17081	0.5
356.14859	0.3
369.23920	0.2
374.15939	1.2
414.19107	0.3
432.20306	3.7
474.21240	1.3
596.24921	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1665
Annotation	Kaempferol-3-O-beta-D-galactoside-7-O-alpha-L-rhamnoside
Peak:m/z	Relative Intensity
53.03960	0.2
55.01874	0.5
57.03414	1.3
61.02943	1.7
69.03416	0.8
71.01362	0.4
71.04977	1.2
71.10382	0.3
71.10720	0.3
73.02927	11.5
75.04457	0.9
84.08140	0.7
85.02909	4.7
87.04449	0.6
91.03972	0.4
92.02631	0.6
93.03384	0.7
97.02876	1.0
107.04975	0.5
109.02869	0.4
111.00767	0.6
112.00336	0.3
115.03914	0.8
121.02885	2.1
123.04380	0.3
127.03989	0.4
131.04942	0.4
136.07599	0.3
137.02327	1.0
139.03893	0.8
143.96046	0.3
147.04417	0.4
151.03909	0.5
153.01848	7.9
165.01834	1.3
181.05008	0.3
183.02847	0.5
185.05957	0.4
201.05489	0.7
203.03513	0.3
212.48201	0.3
213.05472	0.8
228.04265	1.0
229.05011	3.1
231.02954	0.3
231.06535	0.5
241.04964	0.5
245.04483	0.8
246.05214	1.2
257.04608	2.3
258.05240	0.8
260.03354	0.4
273.03870	1.4
274.04727	4.3
284.03430	0.4
285.04001	3.6
287.05533	66.7
288.05954	1.0
299.05713	0.4
302.04269	11.0
303.05005	6.8
317.06601	100.0
318.06873	1.4
433.11346	3.0
449.10883	0.6
463.06213	0.5
463.12415	6.5
579.76111	0.4
581.88568	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.1
55.01870	1.5
56.96568	9.9
57.03435	2.8
61.02922	1.5
65.03941	0.7
67.05496	1.1
68.99796	2.1
69.03433	6.2
69.51809	1.6
69.52236	2.2
71.01363	3.6
71.05000	0.6
71.95267	0.7
72.08173	0.9
73.02922	1.6
81.03417	2.4
82.99861	1.1
83.05000	0.9
84.04509	0.8
84.96053	4.5
85.02911	12.0
85.06536	0.6
87.04475	2.6
89.10805	0.9
90.94878	0.6
91.03972	0.9
91.05441	0.9
95.04983	1.2
97.02909	7.7
98.03225	0.6
98.20690	1.2
98.97590	27.2
99.04479	1.8
100.99216	0.7
101.00885	10.7
101.02322	0.7
102.96902	0.7
103.00686	0.7
107.04964	1.5
109.02888	3.1
110.97575	7.3
111.00806	1.7
111.04454	1.8
112.99159	2.0
113.00896	3.5
113.02382	1.9
115.02424	2.0
115.03913	1.3
116.98634	8.9
119.01927	12.7
119.04939	0.8
121.01584	0.8
121.02882	0.8
123.04444	10.0
124.99120	0.9
126.97086	0.8
127.00709	1.2
127.02425	1.5
127.03928	34.5
128.98611	6.2
129.01828	0.6
129.04019	1.5
131.00174	1.5
131.01913	8.9
131.05615	3.1
132.95862	0.6
133.01698	0.8
133.03453	2.7
134.99637	1.3
135.04428	10.8
137.00981	0.7
137.02228	0.9
137.03137	0.8
137.05995	2.3
138.97086	0.8
139.03914	28.4
140.98582	0.9
143.00299	3.0
143.01909	45.0
144.95845	0.9
144.98120	0.8
145.01740	3.0
145.03529	4.1
145.04941	3.1
146.26518	0.6
146.99632	1.6
147.01424	1.1
147.03333	1.0
147.04361	1.9
147.05188	1.1
149.02299	0.9
149.06662	3.1
151.03888	6.3
152.98560	0.7
153.00372	1.0
155.00072	0.7
155.01904	12.7
155.05537	2.2
156.02777	0.8
156.98129	2.0
157.01611	1.0
157.03471	3.1
158.97455	1.7
158.99670	11.0
159.01196	1.0
159.01421	1.4
159.03047	1.2
159.05003	2.0
161.01309	1.9
161.02975	35.5
162.03017	1.1
162.99002	1.4
163.02757	3.4
163.03935	10.9
163.06329	2.3
165.05562	0.7
167.02087	0.7
167.03426	2.2
167.05611	1.4
168.95827	1.2
168.98070	1.4
169.03499	1.3
170.99690	3.8
171.01413	4.5
171.03290	1.6
171.04965	1.1
173.01440	0.9
173.02971	8.6
173.06651	12.6
174.99185	3.0
175.02654	1.1
175.04277	1.3
175.06248	0.8
177.00729	6.3
177.05748	1.8
179.02127	1.0
179.03477	3.3
180.99867	1.5
181.03598	0.8
181.05054	0.9
182.99844	0.7
183.01440	1.6
183.04919	0.7
185.01320	1.4
185.03009	2.8
185.06610	14.4
186.97006	0.8
186.99187	1.5
187.00716	1.4
187.02467	0.7
187.04063	1.4
187.06644	0.7
187.08147	3.5
189.00775	1.7
189.02458	0.7
189.04291	1.1
191.03520	4.8
191.07596	2.3
193.01846	0.9
195.01447	3.2
196.97617	0.8
197.03069	1.5
197.06544	2.0
198.99219	1.1
199.00879	17.9
199.04573	1.2
199.08211	1.2
201.00793	1.2
201.02463	5.0
201.05692	3.0
202.98622	0.9
203.03848	5.6
203.05669	0.9
203.05983	1.0
203.07642	7.3
205.01782	0.8
205.05420	1.3
205.07536	1.5
207.05147	0.7
209.02962	0.8
209.06638	1.1
213.02441	4.3
213.05675	0.8
214.98630	1.1
215.07610	6.7
216.98058	1.3
217.01982	8.3
217.05508	1.4
217.07571	1.7
217.09392	0.9
219.01735	9.4
219.03493	0.8
219.07133	0.9
221.03154	1.2
221.05096	7.1
223.00905	4.5
223.04669	1.1
225.02431	2.1
225.06128	4.3
227.04182	0.9
227.07608	2.4
228.98369	0.8
229.05077	3.1
231.03442	1.2
233.04497	3.1
233.06564	0.8
233.08682	1.2
234.98973	3.4
235.01099	0.8
237.02805	8.1
239.04370	2.3
240.99887	0.7
241.02017	8.5
241.05556	0.8
243.03687	1.0
243.06908	2.7
245.04681	3.2
245.06883	1.6
245.57010	0.7
247.01018	0.9
247.06073	12.9
247.08441	0.7
249.02475	1.6
253.05605	14.0
257.04523	4.4
257.08740	3.4
259.00729	0.9
259.03030	4.3
259.06125	2.8
261.02649	0.9
263.05432	1.1
265.01929	3.9
265.07950	0.6
269.04657	1.4
271.06531	13.0
273.07846	0.8
275.05490	6.7
275.09781	13.0
277.01898	3.5
279.03714	1.2
283.03033	2.4
283.06088	3.7
287.05530	22.2
289.03964	1.1
289.07300	4.6
291.07339	3.3
293.10837	16.6
297.04468	4.1
298.08258	0.7
299.05618	2.1
301.03961	1.0
301.07034	5.4
305.06683	1.6
305.10806	3.9
306.10840	0.9
307.04276	3.8
307.07990	3.8
307.10880	3.1
309.08630	6.6
313.07422	1.1
317.06876	0.8
321.10257	2.1
323.06506	0.7
325.04114	12.8
325.08011	2.4
325.11697	1.0
335.06552	1.1
335.11697	0.7
343.05026	10.6
343.08170	0.8
344.06845	0.7
345.01407	2.0
351.09692	1.6
353.07886	0.9
391.09061	2.4
403.10770	1.3
405.12399	4.7
407.07184	0.7
409.09366	5.1
415.05756	1.0
415.10950	18.0
417.13828	1.3
425.08749	2.3
427.10211	2.7
431.08414	1.2
433.11954	100.0
434.12262	2.2
443.09766	1.4
447.13635	1.0
449.10590	1.3
451.09991	0.8
563.14636	12.0
595.15814	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1663
Annotation	Kaempferol-3-O-beta-D-galactoside-7-O-alpha-L-rhamnoside
Peak:m/z	Relative Intensity
50.11300	0.4
57.03447	2.9
61.02933	2.1
68.58990	0.5
69.03427	0.6
69.21912	3.2
69.22314	1.1
71.04996	10.1
73.02921	3.9
83.04990	0.6
83.37973	0.4
85.02908	12.6
91.03967	0.4
97.02888	1.2
109.02953	0.5
111.00780	0.5
121.02850	2.3
129.05493	3.1
133.02869	0.6
137.02307	0.5
147.06531	1.0
153.01822	4.7
165.01862	1.7
183.02895	0.9
213.05482	0.9
229.05002	0.6
241.04906	0.7
258.05215	0.9
274.04514	0.6
285.03937	0.9
287.05524	100.0
288.05902	1.2
299.05518	0.8
302.04233	4.4
317.06570	30.5
329.06665	1.1
353.06674	0.7
431.09525	0.5
449.10751	1.3
463.12430	2.4
512.82611	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.166
Annotation	Datiscin
Peak:m/z	Relative Intensity
55.01859	0.3
57.03440	1.7
61.02916	0.3
68.99805	0.5
69.03418	1.3
70.66184	0.6
70.66551	0.6
71.04608	0.5
71.04996	9.3
73.02905	0.7
75.04460	0.3
81.03415	0.5
83.04974	0.7
84.91228	0.3
85.02911	13.0
87.04449	0.5
97.02874	1.5
109.02852	0.5
111.00797	0.8
121.02865	1.7
126.41118	0.3
127.03915	1.0
129.05493	2.6
131.04932	0.4
133.02858	0.4
134.66783	0.3
137.02298	0.6
145.04945	0.9
147.04427	0.4
147.06538	0.6
153.01826	3.1
157.06458	0.3
164.44368	0.3
165.01880	1.5
183.02971	0.8
185.06000	0.5
213.05461	1.0
231.06659	0.5
241.05029	0.6
258.05191	1.1
259.06079	0.4
287.05511	100.0
288.05884	1.2
303.05035	0.6
317.06519	0.3
329.06146	0.3
449.10733	2.2
533.46521	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1665
Annotation	Kaempferol-7-O-neohesperidoside
Peak:m/z	Relative Intensity
54.16455	1.3
54.46866	1.2
55.01904	1.3
55.05514	5.4
57.03449	3.0
57.71517	1.1
61.02944	3.6
67.05508	1.4
69.03461	7.6
69.76810	2.8
69.77215	6.0
71.05000	12.0
73.02921	1.5
75.04473	1.5
81.03429	3.8
83.04998	29.0
85.02918	36.6
87.04441	1.2
91.05496	1.5
95.04945	1.5
97.02898	7.2
98.21466	2.5
99.04510	1.3
103.05474	2.5
107.04965	2.3
109.02917	3.3
111.04456	12.8
121.02905	3.8
127.03957	6.9
129.05467	8.8
131.04956	7.8
137.06033	1.3
145.04977	4.9
147.04469	1.2
147.06538	1.4
151.34972	1.3
153.01865	3.4
165.01903	1.9
167.07030	7.6
181.05019	2.8
189.98912	1.3
199.36316	1.2
255.08829	1.4
287.05539	100.0
299.05582	2.0
311.05719	1.4
321.48517	1.1
329.06705	5.6
385.12912	1.2
397.08957	2.8
415.10260	1.9
433.11490	2.7
488.60916	1.4
520.89508	1.2
595.21417	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	595.1659
Annotation	Datiscin
Peak:m/z	Relative Intensity
57.03419	0.3
59.70816	0.3
61.02704	0.2
61.02936	2.9
68.99796	0.4
69.03432	0.6
70.83939	0.5
71.04996	0.8
73.02925	0.8
85.02913	3.8
87.85437	0.3
91.03965	2.2
97.02888	1.3
99.04483	0.3
105.47884	0.3
116.10615	0.3
121.02859	1.7
127.03924	0.7
129.05536	0.4
137.02325	0.5
145.04951	0.4
153.01811	1.6
165.01851	1.3
167.11365	0.3
183.02885	0.7
195.64201	0.3
213.05539	1.0
241.04980	0.5
241.23491	0.3
246.43466	0.3
258.05289	0.8
259.06113	0.4
287.05518	100.0
288.05865	1.9
433.11404	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	595.166
Annotation	Datiscin
Peak:m/z	Relative Intensity
53.03938	0.5
53.53302	0.2
55.01868	0.3
57.03439	0.4
61.02932	0.9
61.89685	0.2
68.99824	0.3
69.03436	1.7
70.66322	0.5
71.04990	0.8
73.02886	0.2
81.03429	1.0
85.02910	5.3
86.78774	0.2
87.04482	0.2
90.13391	0.2
91.03910	0.2
96.33423	0.2
97.02904	1.7
105.03387	0.2
109.02886	0.2
111.00809	0.5
118.74216	0.2
121.02876	1.5
127.03928	0.9
129.05464	0.3
133.02808	0.3
137.02371	0.4
145.04982	0.7
147.04430	0.4
153.01834	2.5
165.01823	1.2
167.14789	0.2
183.02927	0.4
213.05437	0.9
231.06529	0.4
241.04973	0.6
249.96535	0.2
257.11414	0.2
258.05240	0.7
259.06131	0.2
287.05515	100.0
288.05838	1.3
303.05002	0.3
433.11343	3.1
475.83841	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1667
Annotation	Datiscin
Peak:m/z	Relative Intensity
50.46584	0.3
53.62502	0.3
57.03425	1.1
60.04525	0.3
61.02923	1.3
64.19972	0.3
69.03430	0.6
70.84427	0.9
71.05005	8.9
73.02918	1.0
81.03404	0.3
83.05003	0.6
85.02918	12.8
91.03949	0.8
97.02901	1.0
107.04969	0.4
111.00809	0.5
111.04471	0.4
121.02898	2.3
122.71694	0.3
127.03928	0.6
129.05513	3.0
137.02333	0.5
147.04459	0.6
147.06516	0.7
153.01859	3.1
165.01875	1.2
173.31201	0.3
183.02907	0.5
204.06613	0.7
213.05530	1.3
231.06520	0.7
240.52405	0.3
241.04965	0.5
258.05270	0.6
269.04288	0.3
287.05542	100.0
288.05963	1.3
317.06512	0.8
329.06357	0.4
433.11353	0.7
449.10788	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1662
Annotation	Datiscin
Peak:m/z	Relative Intensity
51.99260	0.1
53.03936	0.4
54.50778	0.1
55.01875	0.3
57.03431	0.5
61.02933	0.9
62.14114	0.1
68.99798	0.5
69.03440	1.8
70.49533	0.3
70.49875	0.2
71.05002	1.0
73.02926	0.4
81.03408	0.8
85.02913	5.5
87.04484	0.2
91.03960	0.2
97.02891	2.1
99.04463	0.3
101.59708	0.1
105.03398	0.2
107.04942	0.3
109.02885	0.5
111.00797	0.5
111.04418	0.2
115.91166	0.1
121.02875	2.0
127.03944	0.9
129.05493	0.3
133.02882	0.4
137.02362	0.6
145.04929	1.0
145.06538	0.2
147.04419	0.4
153.01839	3.0
153.03014	0.2
157.06482	0.3
165.01859	1.9
171.04443	0.3
171.58063	0.1
183.02882	0.5
185.05991	0.3
197.05986	0.2
213.05467	0.9
217.04889	0.1
231.06468	0.7
241.05000	0.6
258.05270	0.8
259.06033	0.5
269.04419	0.2
287.05511	100.0
288.05838	1.2
329.06500	0.2
352.02139	0.1
352.35406	0.1
433.11353	3.8
449.10892	0.3
491.89478	0.1
547.28174	0.2
578.36780	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1661
Annotation	kaempferol-3-O-rutinoside
Peak:m/z	Relative Intensity
52.29935	0.2
53.03953	0.2
57.03442	1.6
61.02930	0.4
68.99770	0.3
69.03427	0.7
69.16932	2.9
71.04999	11.4
71.31310	0.2
73.02904	0.3
75.04486	0.3
81.03436	0.4
83.04980	0.4
83.70891	0.3
85.02912	12.8
87.04487	0.5
97.02920	0.6
108.61878	0.3
109.02900	0.4
111.00813	0.6
121.02881	2.0
127.03915	0.5
129.05501	2.7
137.02348	0.5
145.06523	0.3
147.04442	0.4
147.06575	0.4
153.01842	2.5
157.06467	0.5
165.01840	1.4
183.02905	1.0
185.06006	0.4
213.05501	0.9
231.06477	0.4
241.04993	0.5
258.05240	0.9
259.06000	0.5
287.05521	100.0
288.05789	1.1
329.06686	0.6
433.11136	1.3
439.24429	0.3
449.10864	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	595.1659
Annotation	Datiscin
Peak:m/z	Relative Intensity
50.44165	0.1
53.03940	0.1
53.99362	0.1
55.01858	0.2
57.03431	0.3
61.02928	3.6
68.99786	0.3
69.03432	0.8
70.06012	0.3
70.06409	0.3
71.05001	0.7
73.02930	1.1
81.03432	0.2
85.02908	4.1
91.03961	2.0
97.02892	1.8
99.04474	0.1
101.47128	0.1
105.03398	0.2
107.04965	0.3
109.02888	0.3
109.34542	0.1
111.00809	0.6
121.02866	2.2
127.03901	0.8
129.05510	0.3
133.02829	0.3
134.22202	0.1
135.04391	0.2
137.02327	0.5
145.04959	0.3
145.06532	0.2
147.04388	0.4
153.01831	2.5
157.06586	0.2
165.00517	0.2
165.01837	1.8
169.06412	0.1
171.04399	0.2
183.02881	0.7
185.06017	0.2
213.05412	0.9
231.06487	0.4
241.04922	0.5
258.05200	0.9
259.06003	0.4
280.31720	0.1
287.05508	100.0
288.05820	1.2
329.06451	0.3
422.70917	0.2
433.11359	5.0
449.10532	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1446
Annotation	Tribuloside
Peak:m/z	Relative Intensity
51.02390	0.4
53.03954	0.7
55.01867	2.2
56.96571	5.8
57.03437	1.7
60.67265	0.5
61.02933	2.6
65.03952	0.8
67.05518	0.7
68.99789	4.0
69.03428	4.6
69.18595	0.5
70.15249	1.9
71.01350	1.5
71.05005	2.1
73.02920	2.0
74.11060	0.5
79.05492	1.2
79.72051	0.5
81.03419	3.0
83.05000	0.7
84.64632	0.5
84.66611	0.5
84.96029	2.7
85.02914	12.6
87.04482	1.5
89.03944	1.1
91.03972	1.0
91.05492	1.0
93.03414	0.9
93.07652	0.5
95.04984	1.7
96.26638	0.6
97.02908	5.3
98.97593	15.7
99.04483	1.4
100.99155	1.7
101.00909	3.3
103.02459	0.7
105.03371	0.9
107.04972	2.4
109.02876	3.0
110.97594	4.1
111.00814	3.6
111.04468	3.2
112.99145	1.9
113.00894	1.2
113.02399	0.9
115.02372	0.6
115.05465	0.6
116.98630	4.6
117.03407	0.6
117.07032	0.5
119.01945	4.1
119.04942	1.0
121.02892	4.0
121.06516	0.5
123.04443	19.5
127.03932	71.4
128.04218	0.8
128.98636	3.4
129.03931	0.5
129.07156	0.6
131.00166	2.0
131.01892	1.8
131.04935	1.9
133.02727	0.7
133.03583	1.1
134.99710	0.9
135.04437	19.5
137.02339	2.1
137.06018	4.6
139.03917	64.2
140.04253	1.0
141.01781	0.7
141.07014	1.1
143.00180	2.0
143.01929	3.5
145.01733	2.1
145.03505	1.6
145.04980	2.3
145.06468	1.1
146.99718	1.0
147.04379	4.6
149.01207	1.3
149.02374	2.5
149.06021	1.7
151.03911	11.7
152.98640	0.9
153.01839	3.1
155.01901	1.8
155.04926	1.0
157.03523	3.3
157.06458	0.9
158.99629	2.8
159.03252	1.1
159.04485	2.1
161.01196	1.7
161.02942	1.7
161.05988	2.1
163.02751	3.2
163.03915	24.6
165.01854	1.4
165.05478	2.6
167.03410	4.1
169.03476	1.0
169.04869	0.9
169.06450	0.9
170.99698	1.7
171.04971	0.6
173.01221	1.6
173.02957	2.4
173.06177	1.5
174.99098	0.7
175.03867	4.1
176.03285	0.7
177.00789	2.8
177.05504	3.4
179.02179	2.1
179.03520	6.3
181.03656	1.0
181.04988	2.4
183.02962	1.0
183.04527	1.5
185.02936	1.5
185.06050	1.5
186.99115	0.7
187.03891	2.8
189.00810	0.7
189.05606	1.8
191.03464	8.8
192.04741	0.8
193.04990	2.4
197.03168	2.0
197.06000	2.2
199.04210	0.9
201.00851	1.5
201.02534	0.8
201.05565	4.9
203.03455	7.9
203.07071	1.4
203.54218	0.6
205.05406	3.7
213.00856	0.8
213.05507	3.3
215.03584	1.4
215.07137	1.2
217.05586	2.6
217.16528	0.5
219.01776	6.3
219.07077	1.7
221.03278	1.5
221.05130	1.5
223.04759	0.5
223.06598	2.6
225.05818	1.2
227.07036	0.7
229.05029	6.8
231.06761	2.4
233.04584	4.9
237.02893	5.6
237.05353	0.8
239.04398	5.1
241.05423	2.4
243.06584	3.1
245.04799	5.6
247.06068	24.7
248.06300	0.5
253.05060	0.8
255.06627	2.0
257.04520	8.6
258.05234	1.6
259.06082	7.1
261.03024	0.6
262.06110	0.7
263.05597	1.5
265.07565	0.8
269.04523	2.1
271.06052	12.1
273.07855	1.2
275.05542	12.0
277.07562	0.6
281.05197	0.8
283.06076	7.0
287.05530	100.0
288.05939	1.2
289.07104	6.9
291.08939	2.0
299.05624	4.8
301.07071	10.5
305.06320	1.9
307.08517	11.5
309.04935	0.8
311.05493	0.8
317.06696	2.5
319.08154	0.6
321.10330	2.0
323.08243	2.1
325.04532	0.7
325.07986	3.0
331.03680	0.7
331.07944	0.6
335.06076	0.7
353.07376	1.6
367.10617	1.7
376.52621	0.6
383.08618	0.6
395.05029	0.8
407.07776	1.1
409.09207	10.1
413.05908	1.5
415.11050	0.7
424.15219	0.7
425.08704	6.7
427.10229	4.3
433.11560	4.5
443.09763	2.4
449.10776	5.6
451.10037	0.9
465.09171	0.8
485.25177	0.6
509.08917	0.6
595.11328	2.6
595.18573	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1449
Annotation	CHEMBL448883
Peak:m/z	Relative Intensity
53.03932	0.3
55.01866	0.7
61.02935	2.2
63.33351	0.3
68.99782	1.2
69.03422	0.6
69.40964	0.4
69.41369	1.9
71.05006	0.7
73.02918	0.5
79.05493	0.3
81.03416	1.0
83.05000	0.3
85.02431	0.4
85.02908	5.0
91.03948	1.3
91.95602	0.3
95.04994	0.5
97.02930	1.8
98.21493	0.5
99.04450	0.5
103.05438	0.4
107.04955	1.2
109.02871	1.0
111.00822	1.4
111.04467	0.7
117.03322	0.3
121.02883	2.2
123.04438	5.0
127.03928	23.4
131.04924	0.9
133.02869	0.6
135.03415	0.4
135.04433	8.1
137.02351	1.1
139.03914	19.5
145.04999	0.5
145.06525	0.7
145.07632	0.3
147.04427	0.9
147.26762	0.3
149.02354	0.7
149.05977	0.7
151.03909	2.8
153.01834	2.6
157.06467	0.5
157.22745	0.3
159.04506	0.5
161.06020	0.8
163.03926	9.3
165.01823	1.5
165.05591	0.5
167.03398	1.2
169.05154	0.3
169.06494	0.5
173.05994	0.8
175.03894	1.3
177.05453	1.6
179.03458	1.1
181.04984	1.1
183.02872	0.5
183.04390	0.4
185.05878	0.7
187.03862	1.4
191.03406	2.0
193.05003	0.6
197.06018	0.8
200.34167	0.4
201.05475	1.3
203.03395	2.2
203.07056	0.7
205.04984	1.2
213.05467	1.5
213.07291	0.3
215.07043	0.7
217.04930	0.5
229.04945	2.2
231.06554	0.9
233.04491	1.3
241.05025	1.1
243.06514	1.3
245.04440	0.9
247.06053	8.5
251.05653	0.3
253.04900	0.4
255.06438	0.5
257.04446	2.3
258.05286	0.9
259.06021	2.3
263.05347	0.4
269.04584	0.6
271.06042	3.5
275.05505	3.3
283.06030	2.3
287.05524	100.0
288.05859	1.2
289.07153	2.7
299.05548	1.1
301.07047	3.5
307.08264	2.1
319.08002	0.4
397.93054	0.3
409.09122	3.6
425.08701	1.4
427.10425	1.5
433.11368	4.4
443.09677	1.1
449.10760	1.0
485.15494	0.3
526.21021	0.3
564.26050	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2761
Annotation	Unknow
Peak:m/z	Relative Intensity
69.94781	1.9
81.41004	0.4
98.20627	0.4
139.08513	0.4
187.99068	0.4
229.84843	0.4
354.21545	0.5
385.44391	0.4
387.15891	0.5
388.16904	1.1
389.17868	1.1
401.17902	0.6
402.18503	1.3
403.19263	3.1
404.20062	1.7
405.20825	1.8
415.19388	0.8
416.20316	1.0
417.21201	5.5
418.21588	2.0
419.22336	4.2
421.24197	0.4
430.17902	1.2
430.22766	0.5
431.18246	8.6
431.23535	0.7
432.19437	1.5
432.24088	0.7
433.19183	0.8
433.24173	8.2
434.24646	0.9
445.19977	10.5
446.20819	4.7
447.21960	4.1
459.21552	4.1
460.22623	11.8
461.23334	10.5
473.23770	2.5
474.24274	0.8
476.25629	1.5
477.22513	0.6
487.25323	0.8
491.25064	0.8
492.25220	1.0
505.21875	4.1
518.23218	0.6
519.23944	0.7
533.25537	38.9
534.26062	1.7
564.23230	0.7
565.28107	0.9
593.27631	100.0
594.27985	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	595.1453
Annotation	Kaempferol 3-(5''-feruloylapioside)
Peak:m/z	Relative Intensity
53.03954	0.8
55.01875	1.2
61.02914	0.7
65.03938	0.7
65.35375	0.7
67.01835	0.7
68.99800	4.4
69.03450	0.6
70.75294	0.8
70.75626	1.1
77.03912	0.7
79.62302	0.6
80.88630	0.7
81.03433	3.0
85.02910	2.5
89.03925	1.2
91.03971	0.7
91.05502	0.7
93.03432	0.8
95.04982	0.6
97.02917	0.6
99.04465	1.0
107.04962	3.9
109.02898	4.7
111.00809	2.4
111.04453	2.5
116.10857	0.6
117.03426	1.4
121.02891	3.0
123.04456	18.5
127.03934	100.0
128.04282	1.0
131.04944	1.8
133.02867	0.9
135.04443	31.7
137.02342	1.6
137.06042	0.9
139.03922	65.0
140.10672	0.6
141.06990	0.9
145.06490	1.3
147.04379	1.8
149.02373	3.2
149.06007	1.6
151.03922	10.0
153.01851	1.0
155.04922	1.0
156.61775	0.6
159.04431	2.9
161.06042	2.4
163.03926	35.7
165.01826	1.0
165.05519	1.6
167.03421	5.9
169.05029	1.3
169.06523	1.3
173.06024	2.7
175.04010	3.2
177.05513	3.4
179.03410	4.3
181.04967	1.9
181.06458	0.8
183.04443	1.2
185.05902	0.8
187.03867	4.7
189.05516	1.5
191.03438	9.2
193.05067	2.1
195.06535	0.7
197.06000	3.2
201.05511	6.2
203.03433	7.3
203.07071	1.3
205.05043	2.8
213.05463	1.5
215.03398	1.1
215.07068	2.2
217.04990	1.3
225.05547	1.9
229.04970	8.9
231.06622	1.1
233.04402	3.6
237.05672	0.7
241.04977	1.8
243.06575	4.3
245.04446	4.7
247.06061	30.9
251.05548	1.3
253.05069	0.9
255.06635	1.7
257.04510	7.5
258.05087	0.7
259.06067	7.8
265.04980	0.7
269.04504	1.2
271.06058	15.8
275.05530	12.0
283.06079	7.8
287.05542	41.8
288.05914	0.8
289.07095	9.9
291.08505	0.6
293.63458	0.6
299.05582	3.7
301.07092	11.3
301.10214	0.9
307.08179	5.1
311.05826	0.9
317.06689	1.0
319.08191	0.8
378.37518	0.6
407.07565	1.9
409.09225	10.3
425.08710	5.5
427.10431	4.8
443.10004	3.1
451.10202	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.0
55.01889	3.5
55.05517	4.0
57.03447	1.8
59.04991	5.0
65.03954	1.6
67.05503	8.0
69.03436	6.9
69.07063	4.4
69.68621	6.3
69.69025	4.2
70.49821	1.9
71.04982	3.1
79.05495	7.5
81.03413	4.6
81.07072	10.6
83.04992	4.5
85.02926	8.7
85.06564	4.8
87.00864	1.9
91.05491	24.7
93.07043	13.3
95.04991	4.4
95.08610	7.5
97.02904	2.8
97.06531	3.3
99.04424	2.0
103.05466	8.4
105.01903	2.5
105.07049	27.7
107.05013	4.3
107.08617	12.0
109.02863	2.3
109.06506	5.1
109.10168	4.0
111.08049	2.7
115.05472	2.4
117.07047	19.4
119.04971	1.9
119.08598	21.2
121.06552	10.5
121.10123	5.6
123.04446	3.6
123.08066	2.9
127.03927	3.4
128.06247	6.2
129.07004	7.2
130.07796	7.6
131.04947	12.4
131.08601	15.6
133.06499	2.4
133.10132	12.8
135.08035	6.2
135.11624	2.6
137.05983	2.2
137.09613	5.1
141.01863	2.1
141.06978	1.9
142.07784	2.6
143.08583	22.9
145.06477	3.1
145.10138	100.0
147.04431	6.6
147.08061	16.0
147.11655	4.3
149.09662	4.8
151.07603	3.0
155.08609	7.0
157.10130	5.9
159.02936	2.7
159.04196	1.9
159.08070	4.3
159.11711	2.4
161.09618	23.3
161.13298	3.7
163.07639	2.2
163.11185	8.9
165.09135	21.3
167.07167	3.8
170.10951	2.2
171.11671	2.3
173.09642	41.8
173.13283	2.9
175.14886	3.5
177.09073	2.4
177.12819	2.9
181.30417	1.5
183.11729	2.2
185.13301	15.6
189.09103	2.4
189.12769	3.1
191.10687	83.5
191.14352	3.7
199.07288	1.9
201.12848	3.9
203.14349	15.8
207.13803	4.2
209.49896	1.8
213.12753	16.7
215.34137	1.8
219.13850	8.2
221.15369	3.5
231.13838	31.1
241.33305	1.9
249.14922	14.9
261.14801	5.1
267.15866	11.5
279.16006	3.2
287.05551	2.8
291.15915	6.1
293.86423	1.7
300.47452	1.8
309.17004	61.4
327.18155	3.7
329.70676	1.7
345.19156	13.7
588.26575	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2762
Annotation	Pheophorbide a
Peak:m/z	Relative Intensity
69.71733	0.4
69.72047	2.2
71.69020	0.3
84.46714	0.3
87.42250	0.3
178.96938	0.3
375.15756	0.4
388.16843	0.6
389.17786	1.5
401.18118	0.8
402.18561	0.7
403.19247	2.6
404.20129	1.0
405.20938	2.4
415.19635	0.8
416.20337	1.2
417.16391	1.0
417.21616	3.3
418.21600	1.6
419.22443	4.7
429.21320	0.5
431.18375	9.0
431.24243	0.6
432.18817	1.9
433.24277	6.3
434.24802	1.3
444.19232	0.7
445.20047	10.9
446.20905	4.8
447.21808	5.7
449.22855	0.6
459.21420	3.3
460.22659	11.0
461.23325	9.9
462.24014	0.5
473.23758	3.1
474.24176	0.8
476.26007	0.8
477.22647	0.6
487.24966	0.7
489.26572	0.6
491.25012	0.7
492.25659	1.7
504.24402	0.4
505.22070	5.8
519.24048	0.7
533.25598	25.7
534.26465	0.6
561.25354	0.6
564.23718	0.6
565.28516	0.5
593.27661	100.0
594.28192	2.6
623.91156	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.4984
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94557	2.9
53.03936	5.5
55.05509	20.1
56.67459	2.5
57.03439	13.0
57.07079	41.8
65.03940	3.9
67.05507	73.9
69.07073	18.1
71.04989	2.5
71.08632	29.0
71.52584	3.8
75.04453	3.3
79.05499	37.8
81.07063	78.0
83.08634	14.3
85.06554	4.0
85.10191	13.9
87.61572	2.4
88.59438	2.4
89.16328	2.5
89.66682	2.6
91.05492	24.4
93.06487	3.6
93.07049	49.4
95.04966	3.7
95.08612	66.6
97.10149	7.8
98.21290	3.4
103.24068	2.7
105.07043	20.2
107.08598	28.6
109.06528	3.4
109.10162	26.5
117.07030	5.9
119.08586	14.1
121.10144	27.1
123.11713	15.5
131.08583	9.5
133.10141	10.6
135.11699	13.0
137.13292	6.2
145.10121	8.7
147.11668	5.9
147.88799	2.7
149.13268	13.7
159.11687	8.8
161.13240	4.3
163.14801	6.3
173.13281	9.5
175.14748	3.1
177.16580	3.0
187.14926	3.6
187.91356	2.7
239.23595	6.1
243.21042	11.7
261.22134	65.6
277.21347	2.6
313.27341	100.0
317.24783	8.9
335.25781	67.8
573.48602	19.2
591.48987	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	592.2676
Annotation	Unknow
Peak:m/z	Relative Intensity
98.21532	25.5
122.81856	9.8
167.55873	10.3
229.53915	10.5
270.77563	10.2
419.23291	12.4
445.20050	31.3
592.26709	100.0
608.50006	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	593.1572
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96566	4.8
57.03463	1.2
58.99864	0.6
60.73457	0.5
67.05477	0.8
69.03432	3.2
69.67999	2.1
69.68411	1.2
71.01362	2.9
71.04999	0.6
72.08147	2.1
73.02927	0.9
80.62999	0.5
81.03418	1.0
83.04990	0.6
84.96062	2.8
85.02917	5.7
85.06557	3.4
87.04445	1.4
88.73063	0.5
89.00843	0.6
89.10816	0.7
93.34000	0.6
97.02905	3.5
98.21489	1.1
98.97585	11.4
99.04427	1.0
101.00879	3.4
103.02397	0.6
110.97575	6.4
111.02975	0.8
112.99128	2.1
113.00885	4.6
113.02387	0.9
113.04498	1.5
115.02435	2.2
115.03970	0.8
116.98634	2.2
119.01933	3.7
124.99158	1.2
127.00713	0.7
127.02432	1.7
127.03914	0.7
128.98592	3.3
129.01891	0.8
129.04008	1.7
131.00179	0.6
131.01932	6.1
131.05559	10.3
133.03470	3.8
137.00980	1.0
140.98616	0.9
141.02005	0.7
141.04012	0.6
143.00211	3.0
143.01932	2.6
143.05530	4.2
145.03485	3.4
145.04922	1.2
149.03038	0.7
149.06583	5.6
155.01897	7.0
155.02979	0.9
155.05539	2.1
156.02710	1.0
156.98088	1.5
157.03481	2.8
158.99672	1.9
159.03113	0.7
159.04999	2.1
161.01219	2.2
161.02988	1.9
161.06613	16.2
162.06783	0.6
167.05550	2.1
168.98064	1.5
169.07089	0.9
170.99681	1.6
171.04962	1.3
173.01498	0.8
173.02979	4.4
173.06622	7.2
174.99184	2.1
175.00841	0.6
175.04514	0.8
177.00775	0.8
177.04387	0.7
179.02299	1.2
179.07626	2.4
181.07103	1.0
183.05040	1.1
184.97473	0.8
185.01205	3.2
185.02832	1.0
185.04980	0.7
185.06607	11.9
185.08168	0.9
186.99152	1.1
187.08177	2.0
189.06111	1.9
196.97624	0.9
197.06587	6.1
199.08159	2.9
201.00635	0.8
202.06918	0.8
203.02266	3.5
203.04037	5.9
203.07668	22.9
209.06587	4.2
214.98729	0.8
215.07663	27.6
217.09184	4.8
219.01740	3.5
221.03320	1.0
221.05045	14.1
227.07704	4.0
229.09067	0.7
231.07213	0.9
237.02782	2.9
239.04216	1.1
239.07674	8.4
245.08702	3.4
255.04402	1.1
257.08694	2.9
259.06589	0.7
269.08823	2.5
271.05753	2.0
275.09814	4.1
287.09808	6.7
305.05695	11.8
305.10831	100.0
306.11115	3.0
321.08771	1.2
323.06497	6.7
323.11905	11.8
327.00229	0.8
339.09644	0.7
345.01294	1.5
387.02356	0.8
431.04904	0.7
433.11996	1.6
445.11795	0.6
468.51172	0.6
478.06876	0.6
555.66614	0.6
593.15710	16.7
594.15698	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.4635
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01469	4.8
53.95280	5.4
55.05500	12.3
57.03429	16.6
57.07082	40.5
67.05502	34.8
69.07062	13.6
69.26299	9.5
69.26702	42.5
71.08636	25.5
79.05489	19.5
81.03417	59.2
81.07043	34.8
83.08607	23.7
83.32605	5.1
85.10168	9.7
89.06007	8.0
90.23309	5.3
91.05484	22.4
93.07043	14.7
95.04993	10.1
95.08631	35.1
105.07042	24.3
107.08581	11.1
109.10110	12.2
117.07022	5.2
119.08561	23.5
120.08942	7.2
121.10168	7.4
129.07022	9.0
131.08591	11.7
133.10167	12.8
135.11722	7.6
147.11710	13.8
148.11928	6.5
157.10092	6.3
159.45921	5.5
161.13255	6.0
175.14824	5.3
193.12262	15.9
242.19923	7.4
259.20538	19.7
260.20938	14.7
267.15936	80.8
313.27380	100.0
314.27652	20.2
333.24060	8.9
334.24576	11.8
505.38953	63.8
572.47095	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	591.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46587	3.0
52.26943	3.3
53.03949	3.6
55.01876	6.3
55.05509	4.9
59.05000	5.2
60.34551	3.1
64.17761	3.3
67.05493	6.9
69.03416	14.1
69.55178	3.5
71.41377	7.2
79.05469	8.2
81.03398	9.1
81.07046	10.9
83.04975	8.0
85.02890	15.7
87.00822	11.2
91.05483	30.3
93.07047	13.9
95.04983	6.2
95.08610	7.8
97.02884	12.2
103.05467	8.1
105.01844	5.3
105.07045	40.1
107.04945	13.9
107.08613	5.6
109.02876	8.3
115.05404	4.1
115.28931	4.0
117.07001	10.3
119.08594	33.5
121.06477	7.4
123.04465	3.2
123.08094	6.1
127.03929	15.1
128.06203	13.0
129.06969	8.1
130.07770	4.9
131.04918	13.3
131.08577	27.9
133.10132	30.6
135.08031	4.4
137.05957	3.6
137.09656	4.3
139.03848	4.1
141.06967	5.2
143.08563	34.1
145.06474	6.5
145.10141	34.9
147.08058	25.6
149.06009	4.1
149.09639	13.7
151.03931	4.1
155.08539	5.1
159.08035	35.1
159.11655	8.0
161.05914	7.1
161.09625	69.5
161.13173	3.7
165.09096	5.9
170.56264	3.8
171.08060	7.7
171.11676	7.3
173.09811	5.3
173.13260	7.6
175.07513	5.7
175.11194	6.0
177.09123	100.0
179.10692	4.0
183.11681	11.4
185.13144	5.6
189.09126	83.0
189.12726	11.7
199.11188	13.1
201.12718	25.8
205.08791	4.5
207.10201	35.3
207.13741	9.2
211.11275	5.7
213.03889	4.7
217.12270	60.2
219.10178	44.6
219.13702	7.0
229.12257	28.9
235.13348	24.9
247.13335	27.4
265.14331	8.8
277.14459	18.6
295.15469	4.6
295.88718	3.8
307.15417	7.8
325.16562	26.3
343.17490	14.4
470.94675	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	591.499
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.8
55.05523	16.2
57.03449	12.5
57.07082	45.8
67.05512	67.2
69.07076	19.0
70.01414	1.5
71.04971	1.9
71.08639	29.1
79.05091	2.5
79.05511	32.5
81.07067	73.1
83.04972	1.7
83.08629	16.3
85.06572	2.4
85.10191	13.1
91.05482	19.8
93.06496	2.9
93.07056	45.8
95.04964	1.6
95.08620	64.5
97.06541	2.8
97.10173	6.7
98.20692	2.5
99.46293	1.8
105.07055	14.3
107.08611	27.6
109.10162	29.4
117.07037	7.3
117.07786	1.5
119.08588	13.6
121.10149	24.4
123.11720	12.1
125.13309	2.5
125.74372	1.8
131.08583	15.8
133.10112	11.8
135.11705	18.3
137.13268	5.9
145.10138	8.9
147.11699	8.1
149.13277	15.1
151.14796	2.2
159.11691	9.5
161.13263	6.8
163.14813	7.4
173.13281	10.6
175.14848	4.6
187.14789	4.8
201.16289	2.4
229.36832	2.0
233.22729	3.3
239.23595	3.7
243.21129	13.0
257.24667	3.3
261.22189	62.7
279.23279	2.8
299.23767	2.6
313.27399	100.0
317.24850	14.2
335.25833	68.7
372.98099	1.8
400.58652	1.7
525.42242	1.9
573.48889	16.0
591.49646	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	590.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	4.1
56.47277	2.7
57.03420	7.6
59.04998	6.9
61.86399	2.7
67.05504	4.6
69.03434	84.1
69.07066	2.8
71.01359	41.4
71.05020	3.6
71.47926	2.7
71.51804	2.7
71.52230	4.1
73.02898	9.2
79.05476	4.2
81.03432	38.1
81.07045	5.3
85.02910	31.1
87.04463	3.3
88.46420	2.9
91.05492	33.1
93.07025	5.2
95.04990	3.9
95.08602	4.2
97.02903	36.9
97.06516	3.1
99.00810	28.7
99.04462	19.1
103.05458	13.2
105.03380	5.8
105.07030	4.5
107.08617	3.3
109.02872	25.4
109.10168	3.9
115.03932	100.0
119.08582	5.4
121.10149	3.6
127.03933	30.5
129.07080	4.4
131.04926	6.2
133.10164	4.0
145.04913	6.6
147.11845	2.6
165.07031	7.4
166.07788	14.4
179.08609	4.6
181.10133	40.8
199.06071	3.7
202.07874	3.0
203.08485	5.0
205.10187	23.8
211.05965	4.2
213.03903	13.3
215.08585	28.1
223.06003	6.5
233.09657	30.9
241.07118	7.0
243.05034	57.2
243.07703	5.5
257.12964	2.8
261.09042	15.4
261.22208	3.9
279.10342	13.2
347.70313	2.8
357.08099	30.3
393.13409	17.5
405.13455	4.0
423.14401	23.5
488.47717	3.2
505.20453	2.8
511.92224	2.9
535.94446	3.3
537.17560	33.1
555.18475	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	589.483
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39511	1.9
53.03938	4.8
55.05517	16.8
57.03441	11.6
57.07079	45.3
57.09709	1.7
59.05023	2.2
59.30632	1.9
65.03938	4.1
67.05508	43.9
69.07075	20.1
69.59274	11.7
71.04996	2.5
71.08284	3.0
71.08636	30.2
79.05499	36.4
81.07055	50.6
83.08617	16.2
85.06545	2.8
85.10187	19.2
91.05484	52.0
93.07047	33.6
95.04996	2.7
95.08616	47.1
95.73587	2.1
97.10181	7.6
99.08111	2.6
105.07042	52.6
107.08600	24.3
109.06494	3.1
109.10151	18.9
111.11737	3.1
114.65561	1.9
117.07037	15.9
118.22860	1.7
119.08585	46.9
119.09377	3.7
121.10144	17.4
123.11722	5.2
128.06152	2.3
129.07028	8.0
131.08534	17.5
133.10138	37.9
135.11679	14.5
137.06000	3.7
137.13277	2.5
143.08607	9.4
145.10153	16.7
147.11693	40.9
149.13283	12.5
157.10112	9.3
159.11699	14.7
161.13261	38.1
163.14796	2.9
171.11751	9.1
173.13286	10.3
175.14815	14.7
185.13243	10.3
187.14845	4.4
199.14828	3.7
213.16374	2.9
231.21033	9.3
239.23633	4.9
241.19501	36.7
241.21768	3.0
243.21185	2.7
257.24823	2.0
259.20596	94.0
269.73886	2.0
277.21588	3.8
313.27368	100.0
315.23248	6.4
333.24231	47.9
349.23859	2.2
351.25296	2.4
417.93509	2.2
496.13406	2.4
497.43201	2.5
571.47253	6.9
589.48669	12.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	4.1
55.01873	2.5
57.03435	2.2
61.02927	2.1
67.05520	1.0
68.99783	1.2
69.03435	14.8
69.90552	2.2
69.90931	2.3
70.06601	1.3
71.05010	2.3
73.02929	2.3
74.23216	0.9
79.05503	2.2
81.03425	12.1
81.07050	1.4
85.02913	16.5
87.00838	6.5
91.04987	1.0
91.05457	5.0
91.60986	0.9
94.04189	4.8
95.04984	1.1
95.08596	1.3
95.16860	0.9
97.02888	6.4
99.04461	3.7
103.05472	5.4
105.01866	4.7
105.07034	5.2
107.04971	1.5
107.64297	0.9
109.02894	8.6
109.06528	2.7
115.05469	5.1
117.01855	2.4
117.07037	2.0
119.08590	4.1
122.03662	8.8
127.03927	10.9
128.06232	2.6
129.01884	1.4
129.07080	1.3
131.04897	7.7
132.05687	2.1
133.06534	2.6
137.05986	100.0
138.06381	1.1
141.06992	2.4
143.04936	1.5
145.05080	1.7
145.06403	1.0
146.03630	1.7
147.04443	1.4
147.08054	5.3
149.05945	1.4
157.06516	1.1
159.02869	6.0
160.05238	2.2
161.06003	13.2
163.07571	15.5
167.07016	1.2
169.06459	1.0
171.08080	2.2
173.09540	0.9
173.29689	0.9
175.07559	50.9
184.05167	1.6
187.07579	4.2
191.08582	3.8
199.07545	17.6
201.09091	2.1
202.07780	7.4
203.08553	11.0
204.09203	1.3
205.06445	1.1
216.35452	1.0
219.08051	5.7
220.08836	3.4
230.07147	1.2
231.08083	13.6
232.08798	1.9
233.09436	1.1
245.09534	1.3
247.07481	3.7
248.08269	5.2
249.09114	1.4
251.10669	3.1
258.06815	1.1
259.07587	9.3
260.08325	3.4
261.09030	1.1
263.10724	6.8
265.08664	2.7
275.07089	1.2
276.07870	4.1
277.08743	4.9
279.10162	3.3
280.10800	1.6
291.10181	17.3
292.10806	5.4
293.08102	3.2
293.11539	1.1
295.13297	2.5
303.10025	1.2
308.10455	3.8
311.12781	7.7
319.55844	0.9
323.12790	32.4
325.14374	3.1
335.12933	1.4
364.78442	1.0
365.13742	1.0
534.08130	1.0
589.26801	2.8
593.38898	0.9
596.56848	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.4836
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	7.1
55.05270	2.9
55.05523	37.0
56.53642	2.2
57.03437	10.2
57.07092	19.0
65.03959	4.6
67.05513	85.9
69.07076	39.9
71.05010	4.2
71.08648	9.1
71.52296	3.1
71.52662	2.9
79.05508	43.6
81.07071	100.0
83.04996	4.6
83.08628	29.7
85.06524	2.4
89.58966	2.8
90.98962	2.2
91.05485	25.9
93.07050	58.3
95.04996	3.4
95.08615	81.7
97.06555	8.3
97.10184	17.1
97.96964	2.4
103.45251	2.7
105.07046	23.4
107.08613	37.9
109.06587	2.7
109.10165	40.9
109.10848	3.5
111.08140	5.2
111.11736	6.2
117.07057	6.4
119.08614	20.6
121.10153	35.7
123.08125	2.8
123.11718	19.2
131.08568	15.6
133.10133	14.9
135.11713	27.5
137.06013	9.4
137.09689	3.2
137.13295	8.2
143.08676	3.2
145.10159	11.4
147.11754	7.5
149.13278	16.4
151.14890	5.7
159.11745	8.6
161.13351	8.5
163.14847	6.8
173.13358	8.9
175.14905	4.2
177.16466	3.2
186.83334	2.6
187.14894	3.7
189.16548	3.4
197.27452	2.7
219.21251	4.2
224.47394	3.2
237.22304	4.5
242.37355	3.0
243.21147	5.8
247.20604	3.5
249.18787	2.9
261.22177	37.4
275.23727	3.4
277.18097	10.4
277.21829	2.6
279.23254	4.2
281.97906	2.5
308.29636	7.2
309.24344	3.1
311.25879	45.1
311.29260	3.5
317.25037	6.9
335.25845	28.7
497.43701	10.0
512.76471	3.0
515.44843	5.2
530.95593	2.6
571.47424	23.9
589.48431	92.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.4831
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.9
55.05512	30.6
56.65283	2.9
57.03434	10.4
57.07077	18.3
65.03942	6.2
67.05508	100.0
67.24320	2.6
69.07071	42.8
70.55927	3.5
70.56267	9.2
71.05003	3.5
71.08627	10.3
76.38400	2.8
79.05506	56.1
81.07063	98.6
83.08628	28.7
85.06515	3.1
85.10157	5.0
91.05492	33.5
93.07052	59.9
95.04979	3.6
95.08611	82.2
97.06509	6.6
97.10169	12.6
105.07026	32.0
107.08601	40.1
109.10163	39.9
111.08072	6.0
117.07050	15.0
119.08586	30.8
121.10157	33.8
123.08038	4.2
123.11698	11.0
125.09657	3.4
131.08575	18.1
133.10165	20.3
135.11705	26.6
137.05980	8.4
137.13232	7.6
141.71793	3.0
145.10147	14.2
147.11674	16.5
149.13281	19.4
159.11717	10.4
161.13284	12.2
163.14801	6.0
170.69307	3.4
171.11658	6.5
173.13301	12.1
175.14839	5.6
177.16589	2.8
187.14793	6.3
190.47464	3.2
231.17526	3.5
241.19626	5.7
243.21165	4.9
259.20642	9.7
261.22150	38.5
277.18030	5.1
277.21930	3.2
310.80423	3.1
311.25812	41.2
313.27518	10.1
317.24713	4.7
333.24197	7.4
335.25790	23.9
515.44177	6.9
571.47595	23.1
589.48511	77.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.192
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32495	0.8
53.03937	3.0
55.01870	2.3
57.03434	1.8
59.93320	0.7
61.02934	1.6
66.04709	0.8
68.99761	0.8
69.03435	8.4
70.06589	1.6
70.79668	1.0
70.80000	1.2
72.08147	0.8
73.02909	1.5
79.05495	2.5
81.03414	7.9
81.07047	1.7
85.02432	1.4
85.02910	16.9
87.00827	5.4
87.04446	0.9
89.06008	0.8
91.05479	3.9
94.04192	3.4
95.04948	0.9
97.02902	4.6
99.04459	3.3
103.05464	2.7
105.01866	2.6
105.07034	6.4
107.04932	2.2
107.08630	1.1
109.02879	8.0
109.06515	1.5
115.05419	4.5
117.01867	1.2
117.07001	2.0
119.08578	2.2
121.10151	0.8
122.03676	7.6
127.03918	14.2
128.06224	2.5
129.01830	1.0
129.06975	1.9
131.04950	2.3
131.08539	1.0
131.54257	0.7
132.05710	2.5
133.06506	3.6
137.05983	100.0
141.06989	1.0
143.04953	1.3
143.06009	1.0
144.05721	1.0
145.04974	2.5
145.06532	1.3
146.03627	1.2
147.04416	1.6
147.08054	3.4
149.05995	2.1
156.05695	0.9
159.02972	4.2
159.08070	1.5
159.18239	0.7
160.05222	1.6
161.05980	15.9
167.07079	1.4
171.08095	0.9
172.05211	1.8
175.07558	31.3
177.05440	0.8
179.06995	1.9
184.05254	1.0
185.05995	0.9
187.07542	7.0
189.07013	0.8
189.09097	0.8
190.07813	2.4
191.08572	7.4
197.05952	1.0
199.07529	8.0
202.07751	4.0
203.08588	6.6
205.06602	1.3
208.08836	1.2
217.08623	1.2
218.07315	1.4
219.08020	13.5
220.08861	3.2
224.01466	0.7
229.08405	1.1
230.07384	0.9
231.05013	0.9
231.05510	1.0
231.08051	10.6
232.08827	2.2
234.06673	1.0
235.07443	1.6
235.11220	1.1
236.08301	2.2
241.08498	1.0
247.07564	4.9
248.08331	4.7
251.10701	14.0
258.06729	1.0
259.07587	7.1
260.08295	2.2
261.09180	2.1
263.10745	4.4
264.28839	0.9
265.08636	2.4
276.07849	2.6
277.08606	2.7
279.10156	9.0
281.08304	0.8
291.07037	1.6
291.10156	13.2
292.10867	1.8
293.08215	1.7
295.13324	1.1
296.10428	1.0
296.92645	0.8
303.10083	1.0
307.65540	0.8
308.10519	1.9
311.09152	1.6
311.12784	30.3
321.11401	1.0
323.12802	25.4
335.12830	1.2
341.13922	1.7
401.13974	0.9
419.14941	0.8
427.22873	1.2
589.27460	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	585.161
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05285	2.1
53.00328	4.7
53.03934	3.5
55.01867	7.8
55.05498	6.1
57.03437	30.8
65.03949	4.1
67.05500	10.5
69.03433	24.8
70.06602	2.7
71.01352	15.5
71.04977	2.3
71.51854	1.9
71.52280	2.8
73.02917	12.8
78.18344	2.7
79.05491	6.9
81.03391	5.5
81.07055	8.4
83.01344	2.5
83.04972	5.0
85.02906	100.0
87.00838	9.3
89.02387	18.9
91.04914	3.6
91.05483	66.2
93.07043	7.0
93.46693	2.2
95.01330	13.4
95.04966	6.8
95.08590	5.1
97.02898	43.6
97.10142	2.2
99.00816	29.8
99.04502	2.1
101.02357	4.6
103.03973	11.5
103.05467	55.6
105.03409	5.0
105.07029	7.3
107.08589	6.2
109.02882	4.3
109.06496	3.0
111.04447	5.2
113.02380	53.7
115.03964	5.2
115.05463	3.0
117.07014	4.4
119.08588	5.0
121.02837	3.1
121.10133	3.7
122.84590	2.2
124.04026	2.7
125.02395	2.6
127.03947	6.1
128.73245	2.2
129.01860	9.6
129.07002	8.6
130.38280	2.2
131.03470	15.1
131.04932	73.2
131.08562	5.0
132.05153	2.2
133.10136	5.7
135.11693	2.9
141.01842	38.2
141.07018	2.8
143.08569	2.6
145.06473	3.0
145.10178	3.5
147.11711	2.9
153.01770	2.8
153.07007	3.2
157.10138	3.0
159.02887	28.4
159.11530	2.4
163.11171	2.9
165.01926	2.7
165.06982	13.2
166.07794	30.9
171.02888	3.7
177.03932	20.6
178.07722	3.4
179.08539	9.0
181.10130	97.6
184.07344	2.8
190.07790	9.4
191.08582	6.8
202.07884	4.1
203.08577	11.1
204.09343	8.0
205.10146	52.0
215.08575	77.9
215.10655	4.1
216.09128	2.6
217.03513	3.6
218.07176	3.9
223.43970	2.3
225.03914	4.9
229.03423	6.7
233.09622	75.9
234.09927	4.2
237.63197	2.4
243.05090	3.4
243.08070	8.9
251.10684	2.9
257.02939	9.1
261.09155	47.9
271.04468	16.6
275.03925	6.3
275.20081	3.8
279.10208	11.4
289.05576	3.4
334.27460	2.6
369.04572	3.3
405.06500	6.3
423.35785	3.5
437.12079	3.9
456.28729	2.3
585.28235	3.6
585.41467	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	585.452
Annotation	Unknow
Peak:m/z	Relative Intensity
54.97212	2.7
55.05515	18.7
57.07083	6.4
60.82983	2.4
62.64849	2.5
67.05180	4.5
67.05512	45.9
69.07066	18.9
71.08641	5.0
71.51948	3.8
79.05501	36.1
81.07060	60.6
83.08627	12.8
85.06567	4.7
89.06021	4.6
91.05490	24.6
93.07056	38.0
95.04995	3.2
95.08614	52.8
97.06517	4.5
97.10184	5.6
105.07040	30.0
107.08601	24.8
109.10161	21.7
117.07012	13.2
119.08572	25.0
121.10164	24.0
123.08081	3.4
123.11728	12.5
129.06989	6.4
131.08568	22.2
133.10141	23.7
135.11707	16.2
139.32520	2.5
143.08612	9.3
145.10100	16.8
147.11693	15.1
149.09618	4.4
149.13298	8.0
151.14882	3.0
153.67175	2.6
157.10172	9.9
159.11684	18.4
161.13306	9.8
169.10138	3.2
171.11699	8.4
173.13350	11.6
175.14897	5.6
177.12546	2.9
182.28952	2.4
183.11732	4.1
185.13286	6.2
187.14862	8.7
189.16420	4.1
196.32440	3.0
197.13312	3.9
199.14867	6.6
201.16490	4.1
213.16463	5.0
215.17938	5.8
231.17520	6.0
233.19008	5.6
259.20520	5.9
261.22220	8.5
275.20193	3.6
306.28275	2.7
307.22766	8.3
309.24344	4.3
311.29575	4.0
312.29767	3.6
333.24445	3.0
335.25894	6.9
337.27554	4.2
493.40491	9.4
511.41647	5.4
567.43646	13.0
585.45197	100.0
585.56421	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	585.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00297	5.0
53.03947	4.6
55.01861	9.0
55.05515	4.4
57.03441	27.9
58.24667	3.2
58.56541	3.3
60.19940	3.6
61.02913	3.1
62.92634	2.5
67.05500	5.7
69.03435	25.4
69.42162	16.9
69.42578	5.7
71.01360	12.4
73.02924	12.4
73.62228	3.3
75.00011	4.1
79.05505	4.3
81.03413	5.3
81.07062	4.2
83.01348	4.1
85.02916	100.0
85.03445	5.5
87.00833	8.5
89.02395	16.5
91.05489	54.4
93.07059	3.9
95.01333	9.9
95.04971	5.6
97.02892	44.1
99.00822	32.5
101.02364	6.2
103.03962	10.0
103.05476	40.3
104.25253	2.8
105.03402	7.5
105.07003	4.9
107.04922	3.9
109.02912	7.7
113.02382	55.6
115.03929	5.3
119.75832	2.8
121.06618	3.2
127.03918	4.2
129.01851	7.3
129.07053	7.0
130.98929	3.2
131.03453	19.9
131.04929	39.2
131.35947	3.1
133.10155	3.6
140.03400	3.9
141.01833	36.0
153.07005	3.2
159.02919	26.6
165.06978	14.8
166.07808	31.8
171.02887	3.9
173.05930	4.4
177.03986	16.0
178.07747	3.3
179.08598	8.5
181.10136	77.5
190.07823	7.4
191.08562	7.6
203.08603	10.6
204.09348	3.9
205.10150	59.9
215.08569	67.6
218.07159	3.6
229.03433	11.3
233.09637	73.7
243.05119	4.1
243.08052	11.1
251.10768	4.9
257.02951	11.2
261.09119	42.4
271.04388	17.3
279.10132	13.2
301.14160	4.0
387.05569	8.9
388.05734	3.6
585.29614	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	588.3662
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53065	0.2
56.05032	0.6
57.44172	0.2
58.06608	0.3
59.07401	0.2
60.08165	6.0
62.39155	0.2
67.05523	0.2
68.19531	0.2
69.98832	1.0
70.06599	0.3
71.07376	3.5
72.08160	0.2
81.07059	0.2
86.09708	30.3
87.10065	0.2
88.84079	0.2
98.20805	0.2
98.98472	3.5
103.11027	0.2
104.10754	3.1
116.32021	0.2
117.11330	0.2
123.08129	0.2
125.00011	20.8
125.70635	0.2
168.37447	0.2
177.51453	0.2
184.07347	100.0
185.07706	0.4
258.11108	0.2
262.88800	0.2
314.37894	0.2
518.42700	0.2
570.35681	0.9
588.28699	0.3
588.36749	3.1
598.92181	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.3662
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69096	0.1
52.43132	0.2
55.05506	0.3
56.05039	0.7
57.03458	0.2
58.06642	0.6
60.08171	6.9
67.05500	0.5
69.07084	0.2
69.33524	0.4
69.33923	1.2
70.06611	0.2
71.07375	3.8
79.05495	0.2
81.07071	0.3
86.09713	31.8
93.07053	0.2
97.02444	0.2
97.10161	0.2
98.21571	0.3
98.98473	3.7
104.10758	3.4
107.08582	0.2
109.10175	0.4
119.08565	0.2
123.08074	0.3
125.00017	23.3
125.09631	0.2
135.08093	0.2
184.07355	100.0
185.07683	0.4
227.12845	0.3
258.10938	0.2
399.23578	0.4
402.29337	0.2
464.17639	0.2
570.35693	1.0
588.36682	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	584.4523
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	30.7
57.03446	14.9
57.07088	23.0
59.05005	39.7
67.05507	52.1
69.07076	49.7
69.43333	10.6
69.43772	13.7
71.05009	6.6
71.08640	10.0
79.05497	28.0
79.23074	3.1
81.07064	73.5
83.04990	5.0
83.08623	40.7
85.06536	8.2
85.10191	4.0
86.68623	3.2
87.04502	4.6
89.06040	36.9
91.05478	30.3
93.07053	59.3
95.04972	5.9
95.08610	51.8
97.06549	20.7
97.10176	10.4
105.07038	38.3
105.97063	3.0
107.08609	37.1
109.10178	26.9
111.08094	15.1
115.05444	4.1
115.07584	5.2
117.07024	14.7
117.09171	6.0
119.08593	45.2
121.10159	30.3
123.08063	7.1
123.11700	8.2
125.09621	5.8
128.06221	3.9
129.07034	4.2
131.08549	18.9
133.08618	19.6
133.10120	24.1
134.10451	3.1
135.08090	7.3
135.11697	13.8
137.09613	6.0
141.07018	3.8
142.07764	7.5
143.08611	15.1
144.09323	4.8
145.10138	29.4
146.10503	5.0
147.08101	7.0
147.11699	10.2
149.13287	53.2
151.07567	11.2
154.66034	3.2
155.08569	9.0
156.09357	4.4
157.10135	24.3
158.10698	4.4
159.08058	6.0
159.11716	25.3
161.09637	3.4
161.13264	6.8
163.11198	7.1
163.14931	4.6
165.09128	12.6
167.14355	20.8
168.09393	4.4
169.10103	11.4
171.11699	11.4
173.13289	9.9
173.15314	4.5
175.11162	5.0
175.14844	8.8
177.11278	6.1
177.12843	4.5
178.71672	3.3
181.10104	4.9
181.12109	3.2
183.11739	12.0
185.13232	8.3
187.14731	4.5
191.14502	3.7
195.11739	6.8
195.13806	6.6
197.13275	8.5
203.14377	5.5
207.11688	3.8
207.13948	4.6
209.13266	6.2
211.14850	6.3
221.13326	5.5
221.15353	24.8
222.15710	3.3
223.14784	7.0
231.15891	47.1
234.16225	3.4
236.15393	4.2
237.16393	3.7
245.22682	3.8
247.17018	3.6
263.23764	4.5
269.17490	100.0
283.26254	4.3
287.18546	95.3
299.19925	4.5
300.28961	5.3
309.51001	3.0
311.29413	9.3
337.27405	71.7
352.24023	23.3
365.24704	5.5
371.22772	8.7
412.29407	7.6
491.36105	6.8
492.35526	13.0
504.35950	35.8
549.41565	50.3
584.42126	29.2
584.56122	35.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.1528
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21223	0.9
56.96573	2.3
61.02927	1.3
69.03420	3.7
69.94053	4.7
75.74377	0.9
81.03449	1.7
82.99813	4.8
85.02917	4.2
86.99355	1.7
94.99893	1.3
97.02914	3.4
98.97607	8.7
101.00889	30.9
104.15487	1.0
109.02895	1.4
110.97560	2.3
112.99165	2.1
113.00890	8.5
115.02429	1.8
116.98630	1.3
119.01935	30.6
124.99091	1.1
127.02445	11.3
127.03914	1.7
128.98615	1.8
129.00331	0.9
129.04010	3.9
129.17220	1.0
131.00232	1.3
131.01929	14.8
131.05577	2.2
133.03461	2.4
137.03001	1.4
139.02396	2.1
143.01918	63.2
145.01738	1.0
145.03490	25.4
145.04698	1.5
147.01395	1.9
147.05067	3.2
149.02979	2.3
149.06651	1.6
153.03983	1.8
155.01909	29.3
155.05515	1.5
157.03485	13.3
158.99648	2.1
159.05099	2.8
161.02980	74.4
162.03079	1.1
167.01918	14.6
169.03447	4.4
170.99748	1.3
171.01352	1.2
171.05054	13.4
173.01396	2.5
173.02975	36.2
173.06616	10.4
175.04558	4.4
179.01903	6.2
181.03494	1.9
183.05051	1.7
184.04539	1.5
185.01376	1.6
185.02972	44.7
185.06540	2.2
187.00941	4.1
187.04521	7.5
189.06087	6.7
191.02414	1.8
191.04041	15.5
191.07602	1.7
193.03528	1.0
197.02971	14.1
197.06482	1.0
199.00822	1.3
199.04576	8.9
201.00806	1.9
201.06114	1.8
203.02162	0.9
203.04019	26.0
205.01962	4.3
209.02986	2.1
213.06142	2.5
215.04051	11.1
215.07520	1.6
217.02026	4.0
217.05627	19.7
219.01796	2.4
221.03192	2.3
221.05064	9.1
225.06071	0.9
227.04047	9.5
229.05650	3.8
231.07193	4.9
233.05112	3.0
235.06670	3.6
237.02780	1.8
239.04195	2.4
241.05600	3.1
243.03537	6.7
245.05112	100.0
246.05360	2.2
247.02951	2.7
247.06673	2.7
253.05678	1.4
255.07162	1.2
257.05090	7.3
259.06653	15.6
263.06174	30.5
266.21289	1.0
271.06747	3.7
273.08270	2.2
275.06186	14.3
277.07721	9.8
285.04550	1.2
289.04105	4.3
289.07816	3.6
293.07187	4.2
301.07700	3.6
303.05579	4.0
305.07294	10.6
307.05154	10.7
307.08490	1.7
315.05685	1.8
317.07239	1.4
319.08780	14.2
321.06497	1.0
321.10312	2.3
333.06711	1.2
335.08337	7.4
337.09903	6.7
351.11536	1.2
361.09851	4.7
363.08072	4.8
365.09424	10.3
379.10858	7.5
387.07529	1.3
405.08636	3.7
423.09943	16.5
425.11441	9.8
469.10437	19.2
481.14426	1.8
499.14905	4.0
541.16388	2.2
585.14935	5.7
END